data_1dvh_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 1dvh _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.5 t0 . . . . . 0 CA--C 1.533 0.312 0 CA-C-O 120.79 0.328 . . . . 0.0 111.524 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.22 -49.52 67.55 Favored Glycine 0 CA--C 1.528 0.858 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.58 -47.62 69.96 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 118.57 1.185 . . . . 0.0 110.854 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.33 -47.61 85.1 Favored 'General case' 0 N--CA 1.454 -0.244 0 O-C-N 122.355 -0.215 . . . . 0.0 110.751 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.3 mt -59.77 -40.65 88.95 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 118.72 0.691 . . . . 0.0 110.303 -179.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.408 ' CE1' ' SD ' ' A' ' 76' ' ' MET . 1.8 t80 -76.4 -7.8 55.81 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 115.266 1.58 . . . . 0.0 115.266 -179.324 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.7 tptm -49.12 -38.36 24.79 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -175.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.8 p -71.16 -40.61 71.19 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 122.132 0.968 . . . . 0.0 112.329 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.2 m -62.89 -36.74 84.33 Favored 'General case' 0 CA--C 1.512 -0.517 0 C-N-CA 127.387 2.275 . . . . 0.0 109.408 -175.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -47.39 -30.99 2.0 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.72 0 CA-C-N 113.583 -1.644 . . . . 0.0 109.646 176.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -56.98 -44.16 92.86 Favored Glycine 0 CA--C 1.534 1.222 0 O-C-N 121.67 -0.644 . . . . 0.0 113.042 178.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 m -90.21 -45.64 8.95 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 118.456 1.128 . . . . 0.0 110.399 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 73.1 m-70 -73.92 -14.9 61.13 Favored 'General case' 0 N--CA 1.431 -1.411 0 C-N-CA 125.834 1.654 . . . . 0.0 114.384 -176.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.16 157.54 32.18 Favored Glycine 0 CA--C 1.527 0.817 0 N-CA-C 109.559 -1.416 . . . . 0.0 109.559 -179.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.38 -47.46 26.2 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.34 1.056 . . . . 0.0 111.714 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 51.7 p-10 -90.76 15.86 10.37 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 127.387 2.275 . . . . 0.0 112.892 -179.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 44.5 28.52 1.55 Allowed Glycine 0 CA--C 1.533 1.199 0 C-N-CA 125.197 1.38 . . . . 0.0 114.284 -179.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.5 m -107.77 -11.53 15.38 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.699 0.799 . . . . 0.0 111.52 -178.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.3 124.01 22.71 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 105.757 -1.942 . . . . 0.0 105.757 178.35 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.04 86.09 0.14 Allowed 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 179.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -40.39 126.77 2.3 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 125.504 1.522 . . . . 0.0 114.08 -175.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.7 mmt 22.81 -74.54 0.0 OUTLIER 'General case' 0 C--N 1.341 0.219 1 C-N-CA 131.802 4.041 . . . . 0.0 115.136 178.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -51.41 -43.92 52.46 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 110.297 -1.121 . . . . 0.0 110.297 179.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 74.4 p 131.39 55.59 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 131.641 3.976 . . . . 0.0 107.708 179.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.18 144.62 23.64 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 -177.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm -63.43 123.89 82.48 Favored Pre-proline 0 N--CA 1.451 -0.419 0 N-CA-C 102.498 -3.149 . . . . 0.0 102.498 173.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_exo -37.82 112.02 0.11 Allowed 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 123.353 2.702 . . . . 0.0 111.52 -177.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.5 t -61.28 -35.77 68.39 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 -177.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 38.4 tttp -48.37 105.95 0.09 Allowed 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 122.848 1.309 . . . . 0.0 113.369 179.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 68.48 37.62 85.73 Favored Glycine 0 N--CA 1.441 -0.968 0 CA-C-N 112.59 -2.095 . . . . 0.0 110.522 177.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -58.02 -42.26 84.89 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 137.21 119.02 1.78 Allowed Glycine 0 C--O 1.217 -0.91 0 C-N-CA 128.287 2.851 . . . . 0.0 107.601 176.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.02 -46.56 8.45 Favored 'General case' 0 C--O 1.225 -0.197 0 CA-C-N 121.069 2.434 . . . . 0.0 112.441 -178.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -60.65 -44.32 96.57 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 179.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -59.69 -63.8 1.17 Allowed 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 125.969 1.708 . . . . 0.0 108.464 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 32.5 mt -47.01 -50.38 19.33 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 126.417 1.887 . . . . 0.0 110.125 179.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -68.43 -46.35 70.09 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 122.748 0.419 . . . . 0.0 111.755 -178.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -57.81 -42.61 84.64 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 45.9 mttp -70.18 -43.06 71.56 Favored 'General case' 0 N--CA 1.437 -1.085 0 C-N-CA 123.542 0.737 . . . . 0.0 110.378 -178.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -63.41 -43.12 98.43 Favored 'General case' 0 C--O 1.221 -0.399 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.043 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.2 tttp -59.34 -48.2 82.55 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 106.981 -1.489 . . . . 0.0 106.981 177.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -49.62 -51.79 26.82 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.206 -1.158 . . . . 0.0 110.206 177.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -69.66 -37.74 76.83 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.678 1.239 . . . . 0.0 111.333 178.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.09 -49.59 68.75 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.337 1.055 . . . . 0.0 109.202 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -85.46 -25.43 26.92 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.219 0.607 . . . . 0.0 111.673 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.76 18.34 25.57 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 125.516 1.531 . . . . 0.0 114.24 178.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.0 t -102.17 36.4 2.13 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.01 1.324 . . . . 0.0 111.756 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 30.7 t80 . . . . . 0 CA--C 1.529 0.154 0 N-CA-C 107.613 -1.254 . . . . 0.0 107.613 177.748 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.531 0.238 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.96 -51.63 60.73 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.52 0.728 . . . . 0.0 110.395 -178.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 95.7 mmm -57.65 -47.27 82.73 Favored 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 178.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 22.2 mmm -55.01 -60.13 3.79 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 114.777 -1.101 . . . . 0.0 110.114 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 64.7 m -47.77 -51.56 21.9 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 125.139 1.375 . . . . 0.0 110.01 177.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -56.85 -44.08 81.79 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-O 119.46 -0.305 . . . . 0.0 110.785 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.15 -57.19 9.18 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 121.87 0.843 . . . . 0.0 109.6 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 54.4 t -50.18 -37.77 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 C-N-CA 126.802 2.041 . . . . 0.0 112.195 -179.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.1 tppt? -48.37 -29.91 4.45 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.125 0.97 . . . . 0.0 112.338 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 51.9 tttm -58.12 -32.68 68.37 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.021 0.928 . . . . 0.0 112.739 178.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -92.76 -169.45 2.19 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-O 123.589 1.661 . . . . 0.0 111.969 -176.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.7 m -161.63 156.11 22.71 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 129.162 2.985 . . . . 0.0 107.006 -178.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -22.6 -51.88 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 127.927 2.491 . . . . 0.0 116.194 -178.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -67.1 -49.91 63.33 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.545 0.738 . . . . 0.0 110.39 -178.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -63.18 -42.44 99.38 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 87.8 mt -61.06 -46.24 91.49 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 178.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -57.74 -46.93 83.79 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.15 -43.88 97.85 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.4 mt -59.6 -49.86 76.13 Favored 'General case' 0 N--CA 1.444 -0.73 0 C-N-CA 120.955 -0.298 . . . . 0.0 110.493 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.5 -44.15 97.59 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 -179.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -53.42 -49.57 67.04 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 178.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -60.35 -62.53 1.8 Allowed 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 118.327 -0.844 . . . . 0.0 109.084 178.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.408 ' SD ' ' CE1' ' A' ' 7' ' ' TYR . 60.1 mtm -47.74 -31.19 4.53 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 178.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.4 t -67.2 -23.2 65.72 Favored 'General case' 0 CA--C 1.529 0.148 0 O-C-N 121.506 -0.746 . . . . 0.0 112.425 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -103.01 -45.11 5.04 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 177.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.243 0 C-N-CA 130.48 3.512 . . . . 0.0 111.312 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 17.3 t0 . . . . . 0 CA--C 1.534 0.363 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.61 -43.26 91.2 Favored Glycine 0 N--CA 1.447 -0.621 0 N-CA-C 110.277 -1.129 . . . . 0.0 110.277 178.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.32 -24.23 66.29 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 118.012 0.906 . . . . 0.0 112.397 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -85.72 -50.32 7.26 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 107.734 -1.209 . . . . 0.0 107.734 179.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 82.2 mt -55.81 -45.63 78.24 Favored 'General case' 0 N--CA 1.44 -0.938 0 CA-C-O 119.285 -0.388 . . . . 0.0 110.41 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -63.89 -14.53 54.16 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 114.558 1.318 . . . . 0.0 114.558 -177.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -54.79 -38.67 67.57 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 119.839 1.199 . . . . 0.0 109.814 177.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.3 -5.41 10.46 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.07 1.748 . . . . 0.0 113.584 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.6 m -115.17 -38.22 3.9 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 127.14 2.176 . . . . 0.0 110.473 -175.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.1 mp -45.8 -32.74 1.38 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 C-N-CA 125.322 1.449 . . . . 0.0 110.798 178.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -51.08 -41.28 45.72 Favored Glycine 0 CA--C 1.536 1.381 0 CA-C-N 118.561 0.619 . . . . 0.0 112.054 177.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 15.3 t -94.45 -46.79 6.85 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 123.761 0.824 . . . . 0.0 110.062 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 57.9 m-70 -64.52 -17.42 63.88 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.94 1.296 . . . . 0.0 113.932 -177.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.76 115.0 0.02 OUTLIER Glycine 0 CA--C 1.524 0.607 0 N-CA-C 115.812 1.085 . . . . 0.0 115.812 175.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 59.23 -65.68 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 127.801 2.44 . . . . 0.0 113.795 176.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -165.04 63.26 0.12 Allowed 'General case' 0 N--CA 1.435 -1.198 0 N-CA-C 106.115 -1.809 . . . . 0.0 106.115 -178.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.53 26.19 70.68 Favored Glycine 0 C--N 1.339 0.737 0 C-N-CA 124.192 0.901 . . . . 0.0 113.954 -179.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 87.4 p -89.79 -25.33 21.15 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 -177.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -102.41 152.01 21.61 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 122.492 1.139 . . . . 0.0 112.61 -176.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.56 89.52 2.73 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 114.307 -1.315 . . . . 0.0 108.532 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -40.52 68.31 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 130.454 3.502 . . . . 0.0 117.616 -177.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.5 mmt 60.41 -66.09 0.05 Allowed 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 127.844 2.458 . . . . 0.0 112.614 177.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.01 -33.13 60.24 Favored Glycine 0 CA--C 1.528 0.884 0 N-CA-C 108.616 -1.794 . . . . 0.0 108.616 176.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.6 m 112.0 61.5 0.0 OUTLIER 'General case' 0 C--N 1.34 0.174 0 C-N-CA 130.689 3.596 . . . . 0.0 109.323 177.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.86 123.59 19.33 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 118.494 -1.282 . . . . 0.0 113.733 -179.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.7 pttp -53.67 119.41 18.33 Favored Pre-proline 0 CA--C 1.539 0.557 0 N-CA-C 103.077 -2.935 . . . . 0.0 103.077 172.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 0.8 OUTLIER -20.51 102.13 0.01 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.694 1 C-N-CA 125.734 4.289 . . . . 0.0 114.847 -175.093 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.4 t -56.8 -34.72 44.13 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 N-CA-C 105.613 -1.995 . . . . 0.0 105.613 178.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.3 tttp -62.31 93.76 0.05 Allowed 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 124.624 1.169 . . . . 0.0 109.612 173.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 127.28 -14.28 6.55 Favored Glycine 0 CA--C 1.522 0.505 0 CA-C-N 113.429 -1.714 . . . . 0.0 111.999 178.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -66.36 148.3 52.06 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 118.818 1.309 . . . . 0.0 107.471 178.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -85.89 144.38 20.26 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 121.432 -0.793 . . . . 0.0 113.766 -176.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -46.63 -46.94 20.11 Favored 'General case' 0 C--O 1.223 -0.294 0 C-N-CA 125.928 1.691 . . . . 0.0 111.836 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -55.62 -52.36 64.04 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 178.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -55.07 -61.83 2.06 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 124.935 1.294 . . . . 0.0 108.765 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.7 mt -51.5 -43.46 62.22 Favored 'General case' 0 N--CA 1.439 -0.987 0 C-N-CA 125.387 1.475 . . . . 0.0 111.635 -179.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -69.23 -46.55 67.07 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 118.602 0.637 . . . . 0.0 110.229 -178.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -63.88 -39.53 94.41 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 120.136 -0.625 . . . . 0.0 109.893 -177.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -74.0 -46.35 44.25 Favored 'General case' 0 N--CA 1.438 -1.044 0 C-N-CA 122.591 0.356 . . . . 0.0 111.24 -177.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -65.8 -38.31 88.63 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 179.503 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -64.25 -43.12 95.86 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 106.775 -1.565 . . . . 0.0 106.775 176.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.68 -41.45 57.34 Favored Glycine 0 CA--C 1.532 1.133 0 N-CA-C 110.16 -1.176 . . . . 0.0 110.16 176.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -75.23 -35.36 61.46 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 118.241 1.02 . . . . 0.0 109.887 176.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.36 -50.1 70.54 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 178.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -77.67 -31.96 52.84 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 177.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.35 -3.9 40.43 Favored Glycine 0 CA--C 1.529 0.918 0 C-N-CA 124.998 1.285 . . . . 0.0 114.826 176.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.9 t -72.37 -32.76 66.72 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 118.764 1.282 . . . . 0.0 111.861 -178.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 41.0 t80 . . . . . 0 C--N 1.343 0.316 0 CA-C-N 120.093 1.315 . . . . 0.0 108.606 179.627 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.531 0.228 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.09 -53.15 58.16 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.49 0.716 . . . . 0.0 111.392 -177.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -60.06 -42.48 94.61 Favored 'General case' 0 N--CA 1.456 -0.131 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 179.293 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 28.8 mmm -56.14 -60.61 3.25 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 178.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 87.6 m -48.15 -47.22 35.04 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.517 1.127 . . . . 0.0 109.656 177.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -61.74 -38.53 88.32 Favored 'General case' 0 CA--C 1.532 0.279 0 O-C-N 121.696 -0.628 . . . . 0.0 111.63 179.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.36 -34.04 65.38 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 118.447 0.567 . . . . 0.0 111.628 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 59.8 t -84.89 -43.2 16.98 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.188 0 C-N-CA 127.045 2.138 . . . . 0.0 116.005 -175.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.91 -30.88 0.44 Allowed 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 115.446 1.647 . . . . 0.0 115.446 -176.339 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.7 ptpp? -73.99 -17.06 61.04 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 113.348 0.869 . . . . 0.0 113.348 -178.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -80.12 -171.66 3.06 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-O 124.065 1.888 . . . . 0.0 110.675 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 36.1 m -155.93 163.68 39.45 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 128.749 2.819 . . . . 0.0 107.153 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -34.28 -50.93 0.43 Allowed 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.644 1.578 . . . . 0.0 114.668 -177.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -62.42 -50.93 69.56 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 121.068 0.461 . . . . 0.0 110.135 -178.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -58.36 -46.2 86.74 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 179.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 39.7 mt -58.81 -51.57 69.42 Favored 'General case' 0 C--N 1.338 0.099 0 CA-C-N 117.735 0.243 . . . . 0.0 110.439 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -57.62 -44.46 85.52 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 123.299 0.64 . . . . 0.0 109.994 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.82 -46.93 79.91 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 -179.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.0 mt -60.3 -50.52 73.31 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-O 119.475 -0.298 . . . . 0.0 110.321 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.23 -40.83 91.6 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -57.62 -52.0 67.22 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 177.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -55.6 -59.34 4.98 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 179.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 62.3 mtm -49.35 -39.81 33.22 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 177.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.3 t -71.51 -15.06 62.29 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 121.005 -1.059 . . . . 0.0 112.728 -179.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -93.77 0.72 56.46 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 118.75 0.705 . . . . 0.0 109.775 177.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 88.8 mt . . . . . 0 C--O 1.25 1.091 0 CA-C-O 117.27 -1.348 . . . . 0.0 109.268 176.955 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 . . . . . 0 CA--C 1.532 0.262 0 N-CA-C 106.826 -1.546 . . . . 0.0 106.826 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 77.8 80.65 0.67 Allowed Glycine 0 N--CA 1.44 -1.097 1 N-CA-C 100.449 -5.06 . . . . 0.0 100.449 -171.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 118.82 -38.46 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 130.451 3.501 . . . . 0.0 107.397 -173.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.22 -22.11 33.22 Favored 'General case' 0 C--N 1.347 0.483 0 C-N-CA 118.634 -1.226 . . . . 0.0 110.168 -176.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 17.7 mt -88.79 -40.02 13.49 Favored 'General case' 0 N--CA 1.431 -1.376 0 N-CA-C 106.001 -1.852 . . . . 0.0 106.001 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.405 ' CE1' ' SD ' ' A' ' 76' ' ' MET . 2.0 t80 -64.33 -22.21 66.87 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 -178.496 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.1 tptm -51.81 -33.95 37.97 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 118.598 0.635 . . . . 0.0 110.213 178.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.19 7.84 2.51 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.696 1.598 . . . . 0.0 113.223 178.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.2 m -128.79 -37.29 1.76 Allowed 'General case' 0 C--O 1.235 0.322 0 C-N-CA 127.144 2.178 . . . . 0.0 109.997 -173.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 21.2 mm -40.97 -35.95 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 C-N-CA 126.36 1.864 . . . . 0.0 110.51 176.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -47.99 -44.06 25.01 Favored Glycine 0 CA--C 1.537 1.431 0 CA-C-O 119.679 -0.512 . . . . 0.0 112.853 178.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.1 m -92.96 -44.99 8.16 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 118.033 0.916 . . . . 0.0 110.459 179.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 41.0 m-70 -71.58 -14.24 62.02 Favored 'General case' 0 N--CA 1.434 -1.227 0 C-N-CA 126.828 2.051 . . . . 0.0 115.579 -175.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 83.65 160.69 30.59 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 110.359 -1.097 . . . . 0.0 110.359 -179.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -42.72 -18.85 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 128.018 2.527 . . . . 0.0 116.357 -177.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -153.28 40.37 0.53 Allowed 'General case' 0 N--CA 1.439 -0.985 0 CA-C-N 119.453 1.024 . . . . 0.0 109.862 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 53.52 29.32 39.21 Favored Glycine 0 C--N 1.341 0.852 0 CA-C-N 117.809 0.277 . . . . 0.0 112.95 179.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.2 p -90.8 -34.28 15.37 Favored 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 127.444 2.298 . . . . 0.0 111.865 -177.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -73.72 124.87 26.85 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 -179.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.16 85.2 0.37 Allowed 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 105.99 -1.855 . . . . 0.0 105.99 176.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -41.37 131.91 2.76 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 125.453 1.501 . . . . 0.0 114.202 -176.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.5 mmt 22.01 -78.9 0.0 OUTLIER 'General case' 0 C--N 1.342 0.262 0 C-N-CA 131.167 3.787 . . . . 0.0 115.39 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -52.13 -33.48 37.8 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 123.284 0.468 . . . . 0.0 112.141 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 67.6 m 119.13 59.95 0.0 OUTLIER 'General case' 0 N--CA 1.458 -0.071 1 C-N-CA 131.898 4.079 . . . . 0.0 106.655 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.12 142.49 36.53 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 114.235 1.198 . . . . 0.0 114.235 -178.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.4 mtmm -62.96 119.63 53.58 Favored Pre-proline 0 N--CA 1.45 -0.462 0 N-CA-C 102.614 -3.106 . . . . 0.0 102.614 174.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_exo -33.58 106.62 0.04 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 124.1 3.2 . . . . 0.0 113.137 -177.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.7 t -55.03 -35.14 33.69 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.2 tptt -40.23 92.52 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 127.721 2.408 . . . . 0.0 113.608 174.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 73.64 39.47 48.86 Favored Glycine 0 N--CA 1.447 -0.633 0 CA-C-N 112.606 -2.088 . . . . 0.0 111.41 177.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -57.73 -45.94 85.11 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 139.01 126.07 2.35 Favored Glycine 0 C--O 1.215 -1.091 0 C-N-CA 127.96 2.695 . . . . 0.0 108.459 175.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -50.31 -44.22 54.06 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 122.117 2.959 . . . . 0.0 112.181 -178.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -59.57 -53.23 60.48 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 122.507 1.146 . . . . 0.0 108.675 178.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -50.36 -63.8 1.01 Allowed 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 112.762 -2.017 . . . . 0.0 109.261 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.6 mt -50.93 -45.44 60.53 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 127.28 2.232 . . . . 0.0 110.469 178.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -63.9 -49.77 71.35 Favored 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 121.871 -0.518 . . . . 0.0 110.757 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.2 ttpm? -57.47 -42.12 81.98 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.6 mttm -62.48 -52.35 63.86 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 123.967 0.907 . . . . 0.0 110.11 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 67.9 mtm -64.36 -36.46 84.2 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 118.187 -0.911 . . . . 0.0 111.258 179.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.9 tptm -59.88 -46.25 89.92 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 106.074 -1.824 . . . . 0.0 106.074 177.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -53.81 -56.69 19.29 Favored Glycine 0 CA--C 1.528 0.85 0 N-CA-C 110.796 -0.922 . . . . 0.0 110.796 177.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -66.01 -41.98 90.29 Favored 'General case' 0 C--N 1.341 0.199 0 CA-C-N 118.786 1.293 . . . . 0.0 111.477 -179.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.73 -46.63 64.07 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.568 1.147 . . . . 0.0 108.532 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -88.3 6.98 34.45 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.272 1.029 . . . . 0.0 112.469 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 56.03 31.16 58.49 Favored Glycine 0 CA--C 1.532 1.099 0 C-N-CA 124.481 1.039 . . . . 0.0 112.977 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.8 t -118.17 38.95 3.54 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 125.784 1.634 . . . . 0.0 111.504 -178.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 23.4 t80 . . . . . 0 C--O 1.232 0.18 0 N-CA-C 107.27 -1.381 . . . . 0.0 107.27 179.396 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.225 -0.204 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.39 -55.93 13.45 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 118.735 0.698 . . . . 0.0 109.525 -179.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 35.4 mtt -55.85 -48.37 75.62 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 178.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.7 mmm -56.33 -52.8 63.21 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.496 179.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 32.1 m -53.81 -52.9 58.84 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 179.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -55.28 -42.51 73.67 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 117.862 0.301 . . . . 0.0 110.543 178.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.65 -43.18 97.5 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 118.437 -0.792 . . . . 0.0 112.902 -178.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.6 m -90.55 -34.93 6.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-N 120.252 1.387 . . . . 0.0 112.316 -176.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -55.96 -24.95 41.52 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -175.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -70.39 -16.01 62.91 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 118.744 0.702 . . . . 0.0 111.355 178.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -91.83 -176.57 4.48 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-O 122.65 1.214 . . . . 0.0 110.241 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 32.5 m -127.08 161.0 29.46 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 127.683 2.393 . . . . 0.0 109.696 -179.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -39.83 -50.34 2.41 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.402 1.481 . . . . 0.0 113.826 -179.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -59.2 -47.5 85.09 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-O 121.269 0.557 . . . . 0.0 110.369 -178.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -63.62 -43.94 95.37 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 72.6 mt -57.84 -49.05 77.96 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 178.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.3 ttpp -55.39 -50.51 69.56 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 178.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.56 -45.21 73.45 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.023 0.529 . . . . 0.0 109.706 178.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.6 tp -60.16 -51.43 69.64 Favored 'General case' 0 N--CA 1.449 -0.52 0 O-C-N 121.999 -0.438 . . . . 0.0 111.21 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.95 -40.23 97.04 Favored 'General case' 0 CA--C 1.516 -0.332 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 -178.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -55.44 -51.28 67.42 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 107.319 -1.363 . . . . 0.0 107.319 177.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -57.9 -59.42 5.28 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 110.436 -0.209 . . . . 0.0 110.436 179.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.405 ' SD ' ' CE1' ' A' ' 7' ' ' TYR . 66.9 mtm -49.99 -40.84 45.54 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 179.029 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.1 t -71.84 -14.83 62.07 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 121.146 -0.971 . . . . 0.0 112.161 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -104.57 10.55 34.95 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.743 1.217 . . . . 0.0 110.451 179.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 75.2 mt . . . . . 0 C--O 1.251 1.137 0 CA-C-O 117.21 -1.376 . . . . 0.0 109.533 177.053 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 57.9 t0 . . . . . 0 CA--C 1.528 0.112 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.83 -34.36 77.49 Favored Glycine 0 N--CA 1.445 -0.755 0 CA-C-O 119.323 -0.71 . . . . 0.0 111.575 177.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.16 -27.48 65.7 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 118.631 1.215 . . . . 0.0 110.231 177.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.07 -32.03 16.89 Favored 'General case' 0 N--CA 1.443 -0.8 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 178.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 36.1 mt -73.57 -31.92 63.87 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 118.377 -1.329 . . . . 0.0 110.515 -177.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -76.61 -7.64 55.65 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 -178.19 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -52.36 -41.42 63.05 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 119.576 1.08 . . . . 0.0 112.789 -179.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 p -69.77 -8.3 46.91 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.857 1.263 . . . . 0.0 113.103 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.3 m -106.59 -38.86 6.02 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 126.863 2.065 . . . . 0.0 110.011 -175.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.1 mp -44.1 -37.48 1.28 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 C-N-CA 125.638 1.575 . . . . 0.0 110.447 177.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -48.99 -43.3 31.3 Favored Glycine 0 CA--C 1.533 1.19 0 C-N-CA 123.641 0.639 . . . . 0.0 112.61 178.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.9 m -93.85 -43.13 8.74 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 117.718 0.759 . . . . 0.0 110.604 179.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -71.38 -18.37 62.36 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 -175.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.73 115.95 0.52 Allowed Glycine 0 CA--C 1.532 1.097 0 N-CA-C 116.815 1.486 . . . . 0.0 116.815 174.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 61.76 -70.37 0.05 OUTLIER 'General case' 0 C--N 1.343 0.296 0 C-N-CA 128.306 2.642 . . . . 0.0 112.01 177.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -130.84 -25.8 2.27 Favored 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 127.879 2.472 . . . . 0.0 110.895 179.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 139.86 34.6 0.14 Allowed Glycine 0 CA--C 1.526 0.765 0 C-N-CA 127.088 2.28 . . . . 0.0 112.113 177.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.5 m -84.18 -22.82 30.81 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 124.924 1.289 . . . . 0.0 114.097 -177.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -94.16 153.35 18.14 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 122.749 1.261 . . . . 0.0 113.039 -176.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.86 84.35 2.8 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 106.441 -1.688 . . . . 0.0 106.441 177.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -39.61 133.28 1.49 Allowed 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 114.92 1.452 . . . . 0.0 114.92 -176.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 26.0 mmt 19.5 -77.67 0.0 OUTLIER 'General case' 0 C--N 1.342 0.252 0 C-N-CA 131.419 3.888 . . . . 0.0 115.64 178.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -50.61 -40.21 39.64 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 65.2 m 126.9 59.48 0.0 OUTLIER 'General case' 0 CA--C 1.528 0.11 1 C-N-CA 131.919 4.088 . . . . 0.0 106.783 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.35 153.97 14.5 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 -178.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -66.9 122.49 82.66 Favored Pre-proline 0 N--CA 1.446 -0.653 0 N-CA-C 100.854 -3.758 . . . . 0.0 100.854 172.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -41.19 110.77 0.14 Allowed 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.365 2.71 . . . . 0.0 110.72 -175.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.3 t -54.02 -46.39 65.63 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 -177.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 51.2 tttp -44.67 104.41 0.04 OUTLIER 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 122.812 1.291 . . . . 0.0 113.944 175.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 83.03 26.2 45.74 Favored Glycine 0 N--CA 1.442 -0.903 0 CA-C-N 112.901 -1.954 . . . . 0.0 112.476 175.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -64.26 -38.26 90.43 Favored 'General case' 0 N--CA 1.426 -1.627 0 CA-C-N 118.959 1.38 . . . . 0.0 107.325 178.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 121.5 125.69 3.19 Favored Glycine 0 C--O 1.216 -0.973 0 C-N-CA 127.842 2.639 . . . . 0.0 109.731 176.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.22 -48.29 9.34 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 120.919 2.359 . . . . 0.0 112.959 -177.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -60.67 -42.64 97.45 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 121.388 0.613 . . . . 0.0 110.054 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.4 -62.84 1.57 Allowed 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 126.312 1.845 . . . . 0.0 108.214 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 23.7 mt -49.29 -45.15 44.75 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 127.53 2.332 . . . . 0.0 109.679 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -65.04 -52.07 57.95 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 119.017 -0.516 . . . . 0.0 110.507 178.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.66 -39.23 76.6 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 118.455 0.571 . . . . 0.0 109.63 -179.707 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 36.9 mmtm -64.54 -51.38 63.18 Favored 'General case' 0 N--CA 1.441 -0.906 0 C-N-CA 124.163 0.985 . . . . 0.0 109.783 -179.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.4 mtm -60.81 -44.09 97.35 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-O 118.854 -0.593 . . . . 0.0 109.865 178.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 45.4 tptt -56.32 -47.74 78.11 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 107.039 -1.467 . . . . 0.0 107.039 178.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.18 -50.58 45.52 Favored Glycine 0 CA--C 1.529 0.934 0 N-CA-C 110.724 -0.95 . . . . 0.0 110.724 177.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -68.61 -39.18 80.95 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 118.804 1.302 . . . . 0.0 110.83 178.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.29 -52.13 64.45 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.065 1.346 . . . . 0.0 109.617 -178.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.8 p30 -84.63 -20.11 31.88 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.555 0.742 . . . . 0.0 111.863 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.7 19.18 52.8 Favored Glycine 0 CA--C 1.531 1.056 0 C-N-CA 124.79 1.186 . . . . 0.0 113.633 178.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.4 t -100.71 37.33 1.73 Allowed 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 118.636 1.218 . . . . 0.0 110.701 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 36.0 t80 . . . . . 0 N--CA 1.456 -0.161 0 C-N-CA 125.052 1.341 . . . . 0.0 107.49 -179.957 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.209 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.28 -53.35 56.44 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.165 0.586 . . . . 0.0 110.467 -178.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.09 -46.14 82.79 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 179.48 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 17.2 mmm -55.14 -58.57 7.12 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.366 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 90.8 m -50.12 -46.88 54.12 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.099 0.959 . . . . 0.0 109.257 177.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -57.81 -38.48 75.62 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.071 0.548 . . . . 0.0 110.844 178.182 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.56 -32.88 58.44 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.444 0.698 . . . . 0.0 111.683 -179.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 42.8 t -86.41 -35.75 9.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 125.991 1.717 . . . . 0.0 115.382 -176.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.1 ptmm? -52.0 -29.4 20.71 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 119.917 1.235 . . . . 0.0 113.438 -177.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 34.7 pttt -74.34 -8.19 55.41 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -112.11 141.04 46.27 Favored 'General case' 0 N--CA 1.439 -0.975 0 C-N-CA 125.441 1.497 . . . . 0.0 107.576 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 88.5 p -104.67 164.27 11.89 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 127.74 2.416 . . . . 0.0 109.449 -178.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -33.79 -50.35 0.36 Allowed 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 125.611 1.565 . . . . 0.0 114.877 -177.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.8 tp10 -66.47 -44.36 82.95 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 120.857 0.361 . . . . 0.0 110.938 -178.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -63.52 -43.78 96.19 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 74.8 mt -59.56 -48.88 79.95 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.77 0.828 . . . . 0.0 109.546 177.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -57.62 -47.75 81.33 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.169 0.587 . . . . 0.0 109.7 178.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.15 -44.27 97.58 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 15.1 mt -60.7 -49.1 78.88 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-O 119.049 -0.5 . . . . 0.0 110.736 179.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.82 -42.58 89.55 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 -178.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -55.39 -50.79 68.82 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 177.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -58.58 -56.84 16.91 Favored 'General case' 0 C--N 1.342 0.245 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.581 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 60.2 mtm -49.59 -42.62 44.98 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 118.432 0.56 . . . . 0.0 112.156 178.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.3 t -65.83 -6.97 13.69 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 117.994 -1.003 . . . . 0.0 113.073 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -107.55 5.93 27.51 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.979 1.312 . . . . 0.0 111.092 179.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.111 0 CA-C-O 117.255 -1.355 . . . . 0.0 109.39 176.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.8 t70 . . . . . 0 CA--C 1.53 0.211 0 CA-C-O 120.514 0.197 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.64 -60.57 8.67 Favored Glycine 0 N--CA 1.447 -0.579 0 N-CA-C 109.994 -1.242 . . . . 0.0 109.994 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -49.36 -45.64 46.08 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 117.52 0.66 . . . . 0.0 110.804 -179.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.02 -37.79 77.73 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 112.408 0.521 . . . . 0.0 112.408 -179.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 58.8 mt -74.81 -45.35 44.08 Favored 'General case' 0 N--CA 1.438 -1.051 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 178.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -57.29 -22.31 40.85 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 -176.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.1 mtmm -53.64 -34.87 60.05 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 121.232 -0.918 . . . . 0.0 110.657 178.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.32 -4.68 15.22 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.984 1.313 . . . . 0.0 113.565 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.1 m -111.34 -38.36 5.01 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 127.112 2.165 . . . . 0.0 110.649 -175.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.2 mp -45.7 -32.37 1.27 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 C-N-CA 125.505 1.522 . . . . 0.0 110.827 178.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -50.82 -43.7 48.18 Favored Glycine 0 CA--C 1.537 1.418 0 CA-C-N 118.343 0.519 . . . . 0.0 112.123 177.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.1 m -95.35 -44.1 7.72 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 117.809 0.804 . . . . 0.0 110.105 179.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 -65.96 -20.37 66.18 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.741 0.816 . . . . 0.0 113.169 -176.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 73.09 102.57 0.07 OUTLIER Glycine 0 CA--C 1.526 0.772 0 N-CA-C 115.806 1.082 . . . . 0.0 115.806 174.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 66.13 -48.72 0.42 Allowed 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 128.512 2.725 . . . . 0.0 114.491 176.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -146.56 -65.1 0.29 Allowed 'General case' 0 N--CA 1.435 -1.214 0 C-N-CA 127.602 2.361 . . . . 0.0 106.697 -178.434 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -179.93 32.78 0.06 OUTLIER Glycine 0 CA--C 1.52 0.346 0 N-CA-C 108.334 -1.906 . . . . 0.0 108.334 177.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 86.5 p -78.67 -32.81 47.32 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 124.694 1.197 . . . . 0.0 111.586 -177.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -90.61 135.76 33.5 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-O 121.456 0.646 . . . . 0.0 109.867 -178.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.84 83.38 0.92 Allowed 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 105.392 -2.077 . . . . 0.0 105.392 177.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -33.82 128.82 0.34 Allowed 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 125.786 1.634 . . . . 0.0 114.478 -175.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 96.1 mmm 20.09 -77.6 0.0 OUTLIER 'General case' 0 C--N 1.343 0.317 0 C-N-CA 130.36 3.464 . . . . 0.0 113.193 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.53 44.37 1.7 Allowed Glycine 0 CA--C 1.534 1.246 0 CA-C-N 118.533 0.606 . . . . 0.0 111.956 178.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.7 p 48.22 53.54 11.63 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 126.503 1.921 . . . . 0.0 111.516 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.29 149.22 29.39 Favored 'General case' 0 N--CA 1.448 -0.564 0 N-CA-C 114.177 1.176 . . . . 0.0 114.177 -179.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.0 mtmm -61.59 122.97 74.7 Favored Pre-proline 0 CA--C 1.535 0.38 0 N-CA-C 102.936 -2.987 . . . . 0.0 102.936 173.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_exo -37.12 109.15 0.06 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.519 0 C-N-CA 123.54 2.827 . . . . 0.0 112.327 -178.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 76.9 t -58.84 -34.06 51.24 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -178.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.2 tmtm? -66.21 89.23 0.13 Allowed 'General case' 0 CA--C 1.515 -0.399 0 CA-C-O 122.574 1.178 . . . . 0.0 108.082 174.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 134.69 -11.56 4.57 Favored Glycine 0 CA--C 1.523 0.572 0 CA-C-N 112.647 -2.069 . . . . 0.0 113.178 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -67.85 147.52 52.42 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 119.598 1.699 . . . . 0.0 106.82 178.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.93 144.9 17.32 Favored Glycine 0 N--CA 1.475 1.296 0 CA-C-O 118.54 -1.145 . . . . 0.0 114.124 -175.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.19 -48.3 9.25 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 119.837 1.819 . . . . 0.0 113.364 -177.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -59.82 -44.41 94.04 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -59.95 -64.68 0.86 Allowed 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 179.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 53.6 mt -44.34 -48.28 9.66 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 127.107 2.163 . . . . 0.0 110.603 -179.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -69.54 -49.75 51.41 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 119.054 -0.498 . . . . 0.0 111.99 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -60.27 -40.32 89.95 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 118.793 0.724 . . . . 0.0 109.7 -179.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 41.0 mmtm -66.02 -51.4 58.65 Favored 'General case' 0 N--CA 1.437 -1.085 0 C-N-CA 124.962 1.305 . . . . 0.0 109.506 -179.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 53.9 mtm -63.7 -38.65 91.91 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-O 117.726 -1.13 . . . . 0.0 110.061 178.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -60.5 -44.82 95.57 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 121.156 1.798 . . . . 0.0 106.889 177.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -51.71 -48.64 49.76 Favored Glycine 0 CA--C 1.532 1.115 0 N-CA-C 110.423 -1.071 . . . . 0.0 110.423 176.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -71.26 -37.44 71.93 Favored 'General case' 0 CA--C 1.534 0.329 0 O-C-N 121.116 -1.226 . . . . 0.0 110.841 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.19 -60.38 3.47 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 126.472 1.909 . . . . 0.0 110.543 -177.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -144.05 25.2 1.6 Allowed 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 -176.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -131.32 18.76 4.93 Favored Glycine 0 CA--C 1.526 0.729 0 CA-C-N 119.177 0.898 . . . . 0.0 112.881 -178.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.0 t 39.2 42.59 0.77 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 127.503 2.321 . . . . 0.0 112.098 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 29.0 t80 . . . . . 0 CA--C 1.532 0.284 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 176.863 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt . . . . . 0 N--CA 1.439 -0.99 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.49 -44.98 95.07 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.516 0.727 . . . . 0.0 111.363 -178.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -63.11 -44.24 96.19 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 38.1 mmm -60.13 -60.45 3.8 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.771 179.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 19.6 m -51.8 -41.05 61.41 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-N 119.249 0.931 . . . . 0.0 110.322 177.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -58.84 -48.8 80.06 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 119.876 1.216 . . . . 0.0 110.257 178.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.18 -40.87 90.78 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -179.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 71.5 t -79.55 -41.23 22.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 125.85 1.66 . . . . 0.0 114.713 -175.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -56.1 -30.72 62.46 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 119.453 1.024 . . . . 0.0 111.572 -177.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.9 ptmm? -80.5 9.96 5.31 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 118.962 -0.542 . . . . 0.0 112.157 178.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -121.01 141.02 51.12 Favored 'General case' 0 N--CA 1.441 -0.899 0 C-N-CA 125.394 1.478 . . . . 0.0 107.121 177.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 53.9 p -93.14 168.29 11.21 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 127.654 2.381 . . . . 0.0 109.534 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -47.81 -41.52 23.86 Favored 'General case' 0 C--O 1.224 -0.282 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -61.83 -54.57 40.35 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 118.403 0.547 . . . . 0.0 109.713 179.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -55.47 -51.04 68.27 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.997 0.919 . . . . 0.0 109.793 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 70.6 mt -58.99 -48.25 82.23 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.454 1.102 . . . . 0.0 110.709 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 29.2 tptp -62.34 -40.36 96.12 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.91 -47.87 78.87 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.9 mt -58.31 -52.16 66.78 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-O 119.268 -0.396 . . . . 0.0 110.787 179.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.51 -42.45 98.82 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 119.198 -0.43 . . . . 0.0 110.205 -178.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -53.56 -48.88 68.74 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 177.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -62.06 -59.23 5.38 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 178.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 68.2 mtm -49.96 -30.98 11.47 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.631 0.974 . . . . 0.0 113.631 178.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.8 t -68.86 -22.48 64.21 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 120.617 -1.302 . . . . 0.0 112.379 -179.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.5 ptpp? -112.46 29.09 8.21 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.242 1.017 . . . . 0.0 109.493 178.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 21.1 tp . . . . . 0 C--O 1.251 1.169 0 C-N-CA 126.246 1.818 . . . . 0.0 111.379 -179.425 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 . . . . . 0 N--CA 1.445 -0.679 0 N-CA-C 105.752 -1.944 . . . . 0.0 105.752 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 81.89 83.97 0.8 Allowed Glycine 0 N--CA 1.438 -1.229 1 N-CA-C 100.687 -4.965 . . . . 0.0 100.687 -174.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 119.29 -26.7 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 130.619 3.568 . . . . 0.0 107.901 -173.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.44 -34.41 17.51 Favored 'General case' 0 C--N 1.348 0.512 0 C-N-CA 118.937 -1.105 . . . . 0.0 109.603 -177.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.2 mp -75.56 -28.03 58.84 Favored 'General case' 0 N--CA 1.44 -0.97 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.313 -177.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -78.07 -11.36 59.91 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 -178.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -49.36 -48.93 46.37 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 119.365 0.984 . . . . 0.0 112.6 -178.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.5 m -74.96 19.24 0.15 Allowed 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 114.212 1.19 . . . . 0.0 114.212 -177.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.5 m -120.66 -35.14 3.44 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 126.418 1.887 . . . . 0.0 108.594 -177.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.9 mm -48.37 -34.17 4.98 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 C-N-CA 126.069 1.748 . . . . 0.0 109.378 176.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -50.35 -42.2 41.67 Favored Glycine 0 CA--C 1.534 1.249 0 C-N-CA 123.581 0.61 . . . . 0.0 112.597 178.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.9 m -98.22 -43.07 7.13 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 118.119 0.96 . . . . 0.0 110.908 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -80.83 -11.05 59.66 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 114.912 1.449 . . . . 0.0 114.912 -175.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.1 163.4 32.29 Favored Glycine 0 CA--C 1.528 0.878 0 CA-C-N 119.181 0.9 . . . . 0.0 111.299 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -41.55 -62.7 0.83 Allowed 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 125.37 1.468 . . . . 0.0 112.138 -178.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -88.89 27.14 1.39 Allowed 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 125.48 1.512 . . . . 0.0 111.499 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 44.35 28.08 1.36 Allowed Glycine 0 CA--C 1.534 1.263 0 C-N-CA 125.404 1.478 . . . . 0.0 115.056 179.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.6 p -95.91 -20.59 18.65 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 126.163 1.785 . . . . 0.0 112.867 -176.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 49.2 tttm -68.38 125.83 27.7 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.68 80.7 1.11 Allowed 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 106.886 -1.524 . . . . 0.0 106.886 178.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -33.39 126.85 0.36 Allowed 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 126.938 2.095 . . . . 0.0 114.699 -177.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 20.6 mmt 27.47 -83.35 0.0 OUTLIER 'General case' 0 C--N 1.342 0.239 0 C-N-CA 130.249 3.42 . . . . 0.0 113.299 179.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.23 43.79 1.81 Allowed Glycine 0 CA--C 1.531 1.054 0 CA-C-N 118.779 0.718 . . . . 0.0 111.873 179.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 33.1 m 52.04 56.03 8.37 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 125.442 1.497 . . . . 0.0 111.187 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.74 141.34 44.49 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.7 mtmm -57.84 112.67 5.09 Favored Pre-proline 0 CA--C 1.54 0.566 0 N-CA-C 104.858 -2.275 . . . . 0.0 104.858 173.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -37.0 111.95 0.09 OUTLIER 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 124.092 3.195 . . . . 0.0 112.277 -176.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.4 m -68.29 -23.79 28.94 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 -178.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.0 tptt -49.59 105.74 0.09 Allowed 'General case' 0 CA--C 1.517 -0.321 0 CA-C-O 122.481 1.134 . . . . 0.0 112.669 175.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 89.18 10.66 65.84 Favored Glycine 0 N--CA 1.445 -0.749 0 CA-C-N 113.22 -1.809 . . . . 0.0 112.209 176.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -64.45 148.59 50.23 Favored 'General case' 0 CA--C 1.551 1.019 0 N-CA-C 104.74 -2.319 . . . . 0.0 104.74 177.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.42 138.46 36.2 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 120.056 -1.653 . . . . 0.0 112.599 -176.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.94 -45.4 41.71 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 120.298 2.049 . . . . 0.0 111.445 179.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -62.29 -43.08 99.64 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 178.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -59.46 -59.26 5.73 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.997 1.319 . . . . 0.0 108.032 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 62.0 mt -49.56 -48.42 48.57 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 127.3 2.24 . . . . 0.0 110.064 178.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -61.12 -54.58 42.73 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 122.773 0.429 . . . . 0.0 110.597 179.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -57.59 -38.15 74.41 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 121.014 0.435 . . . . 0.0 110.055 -179.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -68.08 -54.94 14.54 Favored 'General case' 0 N--CA 1.44 -0.956 0 C-N-CA 123.723 0.809 . . . . 0.0 110.688 -178.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 76.3 mtm -62.88 -33.85 76.17 Favored 'General case' 0 C--O 1.218 -0.562 0 CA-C-O 118.289 -0.862 . . . . 0.0 109.394 178.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 44.8 tttp -61.09 -50.76 71.94 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 106.895 -1.52 . . . . 0.0 106.895 176.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.72 -44.92 60.75 Favored Glycine 0 CA--C 1.531 1.082 0 C-N-CA 124.016 0.817 . . . . 0.0 111.452 178.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -70.86 -47.6 58.38 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 118.359 1.08 . . . . 0.0 109.34 178.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.21 -52.5 15.7 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 126.393 1.877 . . . . 0.0 110.202 -179.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.4 p30 -89.56 3.66 51.8 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.805 0.842 . . . . 0.0 112.728 -179.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 65.12 16.76 62.64 Favored Glycine 0 CA--C 1.532 1.144 0 C-N-CA 124.069 0.843 . . . . 0.0 114.643 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 12.6 t -79.83 -25.22 40.88 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 119.183 1.491 . . . . 0.0 109.938 179.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 8.0 t80 . . . . . 0 C--N 1.341 0.212 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 179.27 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.4 mttm . . . . . 0 N--CA 1.439 -1.007 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.48 -40.47 66.9 Favored 'General case' 0 C--N 1.339 0.133 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 177.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 21.0 mmt -60.1 -44.9 94.5 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 106.933 -1.506 . . . . 0.0 106.933 177.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 31.3 mmm -56.72 -57.29 13.05 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.637 177.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 87.2 m -46.91 -47.95 21.43 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.719 0.808 . . . . 0.0 109.228 177.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.84 -42.84 99.54 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 118.338 0.517 . . . . 0.0 110.832 179.104 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.1 -36.83 85.54 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.371 0.668 . . . . 0.0 111.498 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 54.7 t -84.35 -31.1 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 C-N-CA 127.162 2.185 . . . . 0.0 114.46 -176.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.4 tptt -51.13 -32.47 22.99 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 119.595 1.089 . . . . 0.0 113.928 -176.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.6 ptpp? -69.94 -14.75 62.86 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -102.11 -176.49 3.13 Favored 'General case' 0 N--CA 1.441 -0.897 0 C-N-CA 125.673 1.589 . . . . 0.0 108.761 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 28.8 t -161.62 172.12 16.84 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 128.617 2.767 . . . . 0.0 105.708 -179.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -36.04 -44.98 0.4 Allowed 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 126.995 2.118 . . . . 0.0 115.031 -176.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -68.32 -44.37 75.54 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 121.765 0.793 . . . . 0.0 111.512 -178.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.6 mp0 -69.71 -41.49 75.3 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 -178.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.4 mp -54.73 -49.81 69.88 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 126.528 1.931 . . . . 0.0 109.44 175.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -58.94 -49.25 78.55 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 178.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.91 -45.32 90.58 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 17.8 mt -61.57 -55.38 31.42 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-O 119.239 -0.41 . . . . 0.0 111.931 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.93 -43.21 91.13 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-O 118.717 -0.659 . . . . 0.0 109.551 -178.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -53.25 -49.02 67.72 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 178.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -64.92 -70.67 0.22 Allowed 'General case' 0 N--CA 1.45 -0.468 0 O-C-N 123.078 0.236 . . . . 0.0 111.235 178.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 7.5 ttp -46.34 -36.03 5.97 Favored 'General case' 0 C--O 1.224 -0.255 0 C-N-CA 125.517 1.527 . . . . 0.0 113.069 -177.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.1 t -56.99 -37.76 72.09 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.122 -0.987 . . . . 0.0 109.436 178.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -80.74 -46.9 14.74 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 106.503 -1.666 . . . . 0.0 106.503 175.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.168 0 C-N-CA 130.1 3.36 . . . . 0.0 108.871 -178.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 C--O 1.223 -0.319 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -38.87 -47.38 2.41 Favored Glycine 0 C--N 1.34 0.762 0 C-N-CA 126.331 1.919 . . . . 0.0 112.908 -178.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.63 -28.16 20.19 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 -179.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -87.41 -27.52 22.7 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 119.607 1.094 . . . . 0.0 109.592 -179.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.5 mp -75.46 -45.96 35.47 Favored 'General case' 0 N--CA 1.437 -1.115 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -60.23 -15.2 22.41 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.586 0.958 . . . . 0.0 113.586 -177.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.1 mmtp -53.52 -38.26 63.57 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 121.225 -0.922 . . . . 0.0 110.747 177.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.6 p -67.32 -13.1 61.69 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.3 m -104.55 -38.76 6.64 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 126.995 2.118 . . . . 0.0 110.758 -174.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -44.72 -31.74 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 C-N-CA 125.966 1.706 . . . . 0.0 111.898 179.456 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -58.69 -44.49 95.68 Favored Glycine 0 CA--C 1.535 1.3 0 CA-C-N 118.375 0.534 . . . . 0.0 111.897 177.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.8 t -86.07 -39.14 17.08 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 117.958 0.879 . . . . 0.0 110.407 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -74.64 -22.58 58.83 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 113.95 1.093 . . . . 0.0 113.95 -177.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.04 78.68 0.67 Allowed Glycine 0 N--CA 1.451 -0.359 0 O-C-N 121.404 -0.81 . . . . 0.0 113.114 178.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 45.99 -92.83 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.732 1.613 . . . . 0.0 112.381 176.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.5 p-10 -83.14 47.71 1.27 Allowed 'General case' 0 N--CA 1.434 -1.242 0 C-N-CA 127.202 2.201 . . . . 0.0 110.194 -179.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 32.05 40.11 0.07 OUTLIER Glycine 0 CA--C 1.523 0.544 0 C-N-CA 127.937 2.684 . . . . 0.0 115.271 178.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 62.1 m -97.63 -24.25 15.61 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.6 0.76 . . . . 0.0 112.719 -177.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -76.08 128.17 34.45 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 107.401 -1.333 . . . . 0.0 107.401 178.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.46 85.19 0.6 Allowed 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 106.329 -1.73 . . . . 0.0 106.329 178.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -41.76 132.36 2.99 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 126.479 1.912 . . . . 0.0 114.713 -176.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 49.9 tpp 27.83 -65.45 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.408 1 C-N-CA 132.519 4.328 . . . . 0.0 116.965 178.628 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.74 -29.86 69.01 Favored Glycine 0 CA--C 1.521 0.466 0 O-C-N 121.364 -0.835 . . . . 0.0 112.328 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 71.0 m 117.14 56.83 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 131.007 3.723 . . . . 0.0 103.503 -176.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.48 137.91 41.58 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 -176.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.98 113.62 7.23 Favored Pre-proline 0 N--CA 1.445 -0.683 0 N-CA-C 102.089 -3.3 . . . . 0.0 102.089 173.611 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_exo -26.52 107.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 125.042 3.828 . . . . 0.0 112.921 -176.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 90.4 t -61.12 -33.85 57.81 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 N-CA-C 106.351 -1.722 . . . . 0.0 106.351 -179.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -60.45 106.45 0.54 Allowed 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 121.989 0.9 . . . . 0.0 109.735 175.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 114.55 -10.25 21.75 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 113.472 -1.694 . . . . 0.0 111.671 177.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -63.71 144.24 57.19 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 105.954 -1.869 . . . . 0.0 105.954 177.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -42.84 -97.88 0.01 OUTLIER Glycine 0 CA--C 1.539 1.588 0 N-CA-C 118.711 2.244 . . . . 0.0 118.711 -173.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 178.86 -59.51 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 128.894 2.878 . . . . 0.0 104.337 179.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -57.65 -42.53 83.64 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 106.283 -1.747 . . . . 0.0 106.283 175.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 66.9 tt0 -55.68 -68.05 0.23 Allowed 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 176.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 mt -46.02 -42.76 13.67 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 124.026 0.93 . . . . 0.0 112.257 -179.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -70.91 -45.16 64.75 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 123.601 0.76 . . . . 0.0 111.537 -178.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -64.82 -39.13 93.08 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 -179.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.8 mmmm -67.6 -48.31 67.18 Favored 'General case' 0 N--CA 1.437 -1.093 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 -179.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 50.6 mtm -62.39 -40.45 96.53 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-O 118.156 -0.926 . . . . 0.0 109.923 177.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -58.93 -43.84 91.24 Favored 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 107.748 -1.205 . . . . 0.0 107.748 178.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -54.36 -49.64 59.54 Favored Glycine 0 CA--C 1.532 1.127 0 N-CA-C 110.571 -1.012 . . . . 0.0 110.571 177.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -66.39 -50.91 61.88 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 118.287 1.043 . . . . 0.0 109.652 178.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.71 -53.46 7.28 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 127.747 2.419 . . . . 0.0 110.583 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -87.34 6.77 31.94 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.416 1.086 . . . . 0.0 112.652 -177.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.76 30.65 63.06 Favored Glycine 0 CA--C 1.531 1.044 0 CA-C-N 119.042 0.837 . . . . 0.0 112.575 -179.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.9 t -99.13 -14.12 19.5 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.501 1.12 . . . . 0.0 111.22 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 5.9 t80 . . . . . 0 CA--C 1.519 -0.218 0 N-CA-C 106.291 -1.744 . . . . 0.0 106.291 179.028 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.7 mttp . . . . . 0 N--CA 1.436 -1.128 0 N-CA-C 111.798 0.296 . . . . 0.0 111.798 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.13 -38.59 60.99 Favored 'General case' 0 C--N 1.342 0.282 0 O-C-N 120.799 -1.188 . . . . 0.0 107.902 177.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 59.8 mtt -60.98 -43.76 98.35 Favored 'General case' 0 C--N 1.341 0.219 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 177.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.3 mmm -55.13 -61.79 2.09 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 114.759 -1.109 . . . . 0.0 109.047 177.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 91.2 m -46.15 -50.07 16.0 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.181 0.992 . . . . 0.0 110.141 177.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -56.87 -40.21 75.76 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 122.968 0.507 . . . . 0.0 111.233 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.24 -58.16 3.81 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 122.102 0.953 . . . . 0.0 108.971 178.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 61.1 t -48.87 -41.98 13.45 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 C-N-CA 127.072 2.149 . . . . 0.0 113.29 -177.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.2 pttp -55.65 -22.94 25.28 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 120.075 1.307 . . . . 0.0 113.202 -179.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 41.4 tttm -65.11 -28.15 69.24 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 118.893 0.769 . . . . 0.0 111.604 178.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -100.15 144.77 28.78 Favored 'General case' 0 N--CA 1.432 -1.35 0 C-N-CA 126.763 2.025 . . . . 0.0 110.357 -175.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 89.3 p -97.63 165.29 12.04 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 127.815 2.446 . . . . 0.0 109.09 179.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -40.92 -50.33 3.25 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.46 1.104 . . . . 0.0 113.278 -179.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -59.43 -51.33 70.35 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 121.378 0.609 . . . . 0.0 110.204 -179.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -60.28 -44.6 95.2 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 123.097 0.559 . . . . 0.0 110.245 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 49.0 mt -58.97 -48.2 82.38 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.778 0.831 . . . . 0.0 109.641 178.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 46.6 tptt -61.94 -40.62 96.15 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.04 -42.8 89.08 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.1 mt -57.93 -58.91 6.32 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 177.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -50.7 -49.67 56.9 Favored 'General case' 0 CA--C 1.531 0.229 0 O-C-N 123.405 0.441 . . . . 0.0 110.41 -178.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -51.96 -44.23 63.88 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 176.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -66.16 -54.73 21.87 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 118.402 -0.809 . . . . 0.0 109.193 177.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.6 mpp? -51.65 -27.38 11.32 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 120.243 1.383 . . . . 0.0 112.831 177.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.6 t -56.58 -28.42 60.22 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 120.462 -1.399 . . . . 0.0 110.078 176.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 41.4 mttp -107.04 40.62 1.62 Allowed 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 127.559 2.344 . . . . 0.0 109.348 179.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.0 tp . . . . . 0 C--O 1.25 1.108 0 C-N-CA 125.4 1.48 . . . . 0.0 109.905 179.215 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 CA--C 1.533 0.313 0 N-CA-C 113.369 0.877 . . . . 0.0 113.369 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -49.42 -46.29 36.43 Favored Glycine 0 CA--C 1.525 0.685 0 C-N-CA 123.991 0.805 . . . . 0.0 111.557 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.6 -35.2 40.54 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.069 0.948 . . . . 0.0 112.123 179.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.93 -19.02 35.41 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 118.847 -0.596 . . . . 0.0 111.059 -177.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.7 mt -90.78 -27.88 18.6 Favored 'General case' 0 N--CA 1.434 -1.24 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 -178.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.414 ' CE1' ' SD ' ' A' ' 76' ' ' MET . 0.8 OUTLIER -73.52 -13.96 61.13 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 114.241 1.2 . . . . 0.0 114.241 178.916 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -52.11 -45.49 64.92 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 120.996 -1.065 . . . . 0.0 112.796 -178.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 p -64.18 -19.63 65.46 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.087 0.955 . . . . 0.0 112.533 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.7 m -91.7 -40.87 11.02 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 126.635 1.974 . . . . 0.0 109.42 -176.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -46.38 -32.55 1.65 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 C-N-CA 125.508 1.523 . . . . 0.0 110.909 179.642 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -51.06 -45.19 51.39 Favored Glycine 0 CA--C 1.534 1.251 0 N-CA-C 111.89 -0.484 . . . . 0.0 111.89 177.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 13.7 m -91.3 -42.34 10.43 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 117.846 0.823 . . . . 0.0 110.182 179.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 61.4 m-70 -70.77 -15.45 62.67 Favored 'General case' 0 N--CA 1.432 -1.374 0 C-N-CA 126.369 1.867 . . . . 0.0 115.347 -175.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 65.18 107.64 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 N-CA-C 116.933 1.533 . . . . 0.0 116.933 175.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 56.76 -67.29 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 128.486 2.714 . . . . 0.0 114.28 176.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -151.58 75.82 1.18 Allowed 'General case' 0 N--CA 1.433 -1.324 0 C-N-CA 127.488 2.315 . . . . 0.0 106.749 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 42.33 30.34 0.8 Allowed Glycine 0 C--N 1.337 0.611 0 C-N-CA 126.315 1.912 . . . . 0.0 115.981 178.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 93.9 p -86.33 -35.32 19.92 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.654 0.782 . . . . 0.0 112.755 -177.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 47.6 tttm -79.11 137.34 37.45 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 121.612 0.72 . . . . 0.0 110.059 -178.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.45 85.24 1.12 Allowed 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 106.621 -1.622 . . . . 0.0 106.621 177.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -42.28 134.37 2.91 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 115.261 1.578 . . . . 0.0 115.261 -176.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 10.6 tpt 24.55 -80.89 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 131.042 3.737 . . . . 0.0 115.323 178.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.04 -35.06 53.35 Favored Glycine 0 CA--C 1.528 0.845 0 CA-C-O 119.866 -0.408 . . . . 0.0 112.161 -179.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 74.2 m 122.3 57.45 0.0 OUTLIER 'General case' 0 CA--C 1.527 0.066 0 C-N-CA 131.611 3.964 . . . . 0.0 106.095 -179.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.97 140.68 48.03 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 113.931 1.085 . . . . 0.0 113.931 -177.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.5 pttp -64.0 113.63 10.85 Favored Pre-proline 0 CA--C 1.541 0.603 0 N-CA-C 101.069 -3.678 . . . . 0.0 101.069 170.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_exo -30.84 122.05 0.07 OUTLIER 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 124.49 3.46 . . . . 0.0 113.054 -174.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.4 m -62.33 -28.46 44.65 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 N-CA-C 106.337 -1.727 . . . . 0.0 106.337 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.4 tttp -57.76 108.64 0.59 Allowed 'General case' 0 N--CA 1.446 -0.657 0 CA-C-O 121.526 0.679 . . . . 0.0 109.899 172.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 118.58 -24.87 8.34 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 114.096 -1.411 . . . . 0.0 109.787 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -67.27 144.63 55.82 Favored 'General case' 0 N--CA 1.439 -1.023 0 N-CA-C 106.523 -1.658 . . . . 0.0 106.523 177.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -85.69 151.38 25.16 Favored Glycine 0 N--CA 1.469 0.865 0 CA-C-O 119.178 -0.79 . . . . 0.0 113.375 -176.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -46.26 -52.03 13.34 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-N 119.385 1.593 . . . . 0.0 111.44 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -55.67 -47.11 77.27 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -57.42 -61.53 2.42 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 124.567 1.147 . . . . 0.0 109.144 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.6 mt -53.5 -42.21 67.08 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 124.884 1.274 . . . . 0.0 111.59 -179.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -70.42 -43.52 69.77 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 124.26 1.024 . . . . 0.0 110.627 -178.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 66.5 tttm -64.68 -41.7 95.87 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 -179.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -69.89 -45.54 67.4 Favored 'General case' 0 N--CA 1.439 -1.007 0 C-N-CA 122.943 0.497 . . . . 0.0 110.34 -178.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 53.9 mtm -63.84 -42.58 97.57 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-O 118.021 -0.99 . . . . 0.0 109.579 178.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -56.97 -47.55 80.47 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 106.46 -1.681 . . . . 0.0 106.46 176.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -51.3 -41.83 48.47 Favored Glycine 0 CA--C 1.531 1.036 0 C-N-CA 124.045 0.831 . . . . 0.0 111.433 177.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -77.79 -38.93 45.58 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 119.494 1.647 . . . . 0.0 110.297 177.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.92 -49.63 62.7 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.241 1.416 . . . . 0.0 108.224 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -83.73 -29.12 27.76 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.76 0.824 . . . . 0.0 110.991 178.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.09 18.56 28.8 Favored Glycine 0 CA--C 1.531 1.071 0 C-N-CA 124.632 1.11 . . . . 0.0 114.001 177.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 21.9 t -90.61 -18.19 25.59 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 118.317 1.059 . . . . 0.0 112.084 179.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 37.6 t80 . . . . . 0 N--CA 1.467 0.388 0 CA-C-N 119.622 1.101 . . . . 0.0 109.652 179.42 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 25.5 pttm . . . . . 0 CA--C 1.534 0.346 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.77 -53.58 48.67 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 123.167 0.587 . . . . 0.0 109.824 -179.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 15.2 tpt -56.76 -45.75 81.87 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 18.3 mmm -56.98 -51.68 68.25 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 124.091 0.956 . . . . 0.0 110.657 179.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 75.1 m -55.38 -49.41 72.38 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 178.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -56.61 -34.66 67.44 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 122.554 0.341 . . . . 0.0 110.364 177.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.45 -45.79 61.69 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 122.996 0.518 . . . . 0.0 111.573 -179.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.5 m -92.07 -16.22 7.97 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-O 117.714 -1.136 . . . . 0.0 113.934 -175.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -50.8 -33.31 22.91 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 121.035 1.743 . . . . 0.0 113.154 -176.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.4 pttp -74.94 -2.63 27.94 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.416 0.687 . . . . 0.0 112.762 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 19.2 m-30 -112.6 139.81 47.88 Favored 'General case' 0 N--CA 1.438 -1.064 0 C-N-CA 125.896 1.678 . . . . 0.0 107.097 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 80.3 p -100.58 166.37 10.94 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 127.405 2.282 . . . . 0.0 109.696 -179.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -39.27 -49.13 1.91 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.69 1.196 . . . . 0.0 114.072 -178.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -61.0 -49.66 76.54 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 121.473 0.654 . . . . 0.0 110.317 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -59.68 -51.89 67.87 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 55.5 mt -54.53 -51.09 66.26 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 124.952 1.301 . . . . 0.0 111.382 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.8 ttpm? -56.13 -47.63 77.78 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.66 -41.04 92.99 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.431 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.9 tp -58.4 -48.33 80.98 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 123.753 0.821 . . . . 0.0 109.278 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.04 -45.24 89.74 Favored 'General case' 0 CA--C 1.518 -0.267 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 179.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -52.84 -48.2 67.18 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 178.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -59.56 -56.81 17.22 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 178.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.414 ' SD ' ' CE1' ' A' ' 7' ' ' TYR . 41.6 mtm -51.08 -39.9 57.13 Favored 'General case' 0 C--O 1.222 -0.384 0 C-N-CA 120.416 -0.513 . . . . 0.0 111.611 179.334 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.8 t -61.23 -9.38 4.85 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 117.91 -1.043 . . . . 0.0 113.18 -179.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 24.1 ttpp -78.23 -23.49 47.39 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 119.642 1.11 . . . . 0.0 108.675 175.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.7 mp . . . . . 0 C--O 1.251 1.164 0 CA-C-O 116.956 -1.497 . . . . 0.0 110.381 178.95 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 . . . . . 0 N--CA 1.447 -0.608 0 N-CA-C 105.984 -1.858 . . . . 0.0 105.984 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 78.31 83.02 0.61 Allowed Glycine 0 N--CA 1.442 -0.929 1 N-CA-C 101.178 -4.769 . . . . 0.0 101.178 -174.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 106.84 -35.17 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 129.645 3.178 . . . . 0.0 106.421 -172.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -86.8 -9.84 54.91 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 118.755 -1.178 . . . . 0.0 111.213 -178.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 21.2 mt -92.48 -35.8 13.43 Favored 'General case' 0 N--CA 1.441 -0.908 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 177.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.403 ' CZ ' ' SD ' ' A' ' 76' ' ' MET . 0.7 OUTLIER -73.62 -8.55 56.42 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 116.788 2.144 . . . . 0.0 116.788 -177.404 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.49 -41.27 9.4 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 119.789 1.177 . . . . 0.0 113.348 -178.091 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.43 -43.36 81.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 122.229 1.014 . . . . 0.0 112.294 179.394 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 7.0 m -63.66 -36.08 82.65 Favored 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 127.115 2.166 . . . . 0.0 108.879 -176.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -51.37 -26.77 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.812 0 CA-C-N 114.051 -1.432 . . . . 0.0 110.277 177.125 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -55.0 -43.35 82.92 Favored Glycine 0 CA--C 1.532 1.121 0 CA-C-N 118.65 0.659 . . . . 0.0 111.82 177.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.6 m -93.97 -42.27 9.14 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 117.977 0.889 . . . . 0.0 109.976 179.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -71.49 -22.34 61.81 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 113.909 1.078 . . . . 0.0 113.909 -176.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.26 100.56 0.25 Allowed Glycine 0 CA--C 1.526 0.725 0 N-CA-C 116.04 1.176 . . . . 0.0 116.04 175.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 39.41 -77.06 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 128.767 2.827 . . . . 0.0 115.382 176.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -95.98 23.29 6.53 Favored 'General case' 0 N--CA 1.441 -0.884 0 C-N-CA 126.851 2.06 . . . . 0.0 110.615 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 52.76 40.28 56.31 Favored Glycine 0 CA--C 1.53 1.0 0 C-N-CA 125.578 1.561 . . . . 0.0 112.888 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.1 p -96.4 -27.09 15.09 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.805 1.242 . . . . 0.0 113.479 -177.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -75.2 138.04 41.69 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 121.836 0.826 . . . . 0.0 110.775 -176.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.09 82.33 0.97 Allowed 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 106.992 -1.484 . . . . 0.0 106.992 178.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -36.3 124.96 0.79 Allowed 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 125.773 1.629 . . . . 0.0 114.743 -176.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 26.5 mmt 22.63 -75.16 0.0 OUTLIER 'General case' 0 C--N 1.343 0.29 1 C-N-CA 132.014 4.125 . . . . 0.0 115.634 177.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -52.63 -29.72 33.17 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.632 -0.587 . . . . 0.0 111.632 179.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 25.8 m 111.6 62.72 0.0 OUTLIER 'General case' 0 C--O 1.232 0.139 1 C-N-CA 131.747 4.019 . . . . 0.0 106.006 -179.592 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.79 151.37 47.61 Favored 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 114.949 1.462 . . . . 0.0 114.949 -178.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.2 pttm -68.13 116.04 34.97 Favored Pre-proline 0 N--CA 1.447 -0.579 0 N-CA-C 102.371 -3.196 . . . . 0.0 102.371 170.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_exo -38.28 121.67 0.52 Allowed 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 123.514 2.809 . . . . 0.0 112.583 -177.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.4 m -65.47 -25.96 38.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 C-N-CA 119.185 -1.006 . . . . 0.0 108.328 -179.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.3 tttp -58.23 102.25 0.1 Allowed 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 122.08 0.943 . . . . 0.0 110.713 174.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 113.62 -10.48 23.66 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 113.413 -1.721 . . . . 0.0 112.113 178.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -65.53 147.34 53.57 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 106.908 -1.515 . . . . 0.0 106.908 178.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -79.27 143.01 25.67 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 120.966 -1.084 . . . . 0.0 114.54 -175.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.17 -48.66 34.35 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 119.532 1.666 . . . . 0.0 112.179 -179.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -59.71 -42.87 94.01 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 120.949 0.404 . . . . 0.0 109.922 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -61.41 -61.26 2.67 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 124.487 1.115 . . . . 0.0 108.448 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 38.2 mt -48.63 -48.32 39.54 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 127.001 2.12 . . . . 0.0 110.249 179.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -66.6 -52.42 45.48 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 123.011 0.525 . . . . 0.0 111.78 -179.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.2 ttpm? -58.0 -39.62 78.72 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 121.512 0.672 . . . . 0.0 109.759 -178.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -70.42 -50.47 38.09 Favored 'General case' 0 N--CA 1.438 -1.075 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.608 -178.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 59.8 mtm -62.19 -33.96 75.55 Favored 'General case' 0 C--O 1.22 -0.484 0 CA-C-O 118.586 -0.721 . . . . 0.0 109.931 178.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.7 tptt -63.53 -46.37 86.33 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 106.668 -1.604 . . . . 0.0 106.668 177.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -54.33 -52.96 40.89 Favored Glycine 0 CA--C 1.528 0.865 0 N-CA-C 110.431 -1.068 . . . . 0.0 110.431 176.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.0 m-30 -60.63 -44.59 96.18 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.254 1.027 . . . . 0.0 110.162 178.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.52 -45.27 66.19 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.196 0.998 . . . . 0.0 108.641 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -87.17 1.03 54.33 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.216 1.006 . . . . 0.0 112.719 -178.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.6 31.16 66.57 Favored Glycine 0 CA--C 1.534 1.27 0 CA-C-N 119.263 0.938 . . . . 0.0 111.698 -177.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.0 t -112.07 26.67 10.36 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.737 1.615 . . . . 0.0 111.613 -178.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 5.0 t80 . . . . . 0 N--CA 1.455 -0.2 0 N-CA-C 104.718 -2.327 . . . . 0.0 104.718 179.249 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 65.3 mttm . . . . . 0 N--CA 1.434 -1.259 0 N-CA-C 113.615 0.969 . . . . 0.0 113.615 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.78 -49.47 38.6 Favored 'General case' 0 C--O 1.232 0.146 0 O-C-N 121.249 -0.907 . . . . 0.0 109.298 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 72.0 mtm -55.1 -49.83 70.73 Favored 'General case' 0 CA--C 1.529 0.139 0 N-CA-C 107.105 -1.443 . . . . 0.0 107.105 177.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 25.2 mmm -51.58 -54.67 25.19 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 125.562 1.545 . . . . 0.0 110.7 177.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 30.2 m -50.62 -53.58 29.65 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 123.266 0.626 . . . . 0.0 109.599 178.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.96 -34.72 73.64 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.691 -0.231 . . . . 0.0 110.636 179.445 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.13 -52.11 21.17 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 113.783 1.031 . . . . 0.0 113.783 -178.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.2 m -76.53 -27.58 17.29 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 C-N-CA 119.181 -1.008 . . . . 0.0 113.004 -172.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.79 -12.41 4.31 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 114.171 1.175 . . . . 0.0 114.171 -176.325 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.5 pttp -71.35 -21.18 62.07 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 119.298 0.954 . . . . 0.0 109.934 176.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -85.75 -167.51 1.88 Allowed 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 125.393 1.477 . . . . 0.0 108.288 177.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.2 m -159.27 158.08 31.82 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 127.366 2.266 . . . . 0.0 106.889 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -29.65 -48.25 0.08 Allowed 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 126.854 2.062 . . . . 0.0 115.58 -176.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -64.24 -51.35 64.07 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 119.161 0.891 . . . . 0.0 110.481 -179.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 28.2 mp0 -63.09 -42.33 99.59 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 179.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.4 mt -60.85 -43.04 98.85 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 178.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.8 ttpm? -63.02 -45.17 93.58 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 178.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.45 -46.94 85.56 Favored 'General case' 0 CA--C 1.529 0.155 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 178.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.5 mt -59.0 -52.62 64.98 Favored 'General case' 0 N--CA 1.447 -0.594 0 O-C-N 121.981 -0.449 . . . . 0.0 110.825 178.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.54 -40.62 87.81 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 -178.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -57.27 -48.66 78.31 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 177.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -57.94 -59.38 5.34 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 178.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.403 ' SD ' ' CZ ' ' A' ' 7' ' ' TYR . 67.3 mtm -54.72 -33.96 61.78 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 179.312 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.7 t -77.5 -4.17 44.22 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 121.17 -0.956 . . . . 0.0 111.901 178.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -128.05 28.45 5.54 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.557 1.943 . . . . 0.0 107.112 179.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.0 tp . . . . . 0 C--O 1.25 1.117 0 C-N-CA 126.47 1.908 . . . . 0.0 111.441 -178.189 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 . . . . . 0 CA--C 1.53 0.182 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -53.79 -60.26 8.59 Favored Glycine 0 C--N 1.337 0.622 0 N-CA-C 110.759 -0.936 . . . . 0.0 110.759 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -47.91 -43.49 28.88 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 117.18 0.49 . . . . 0.0 111.518 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.33 -42.49 98.98 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 119.401 -0.333 . . . . 0.0 111.447 -179.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 38.9 mt -69.45 -43.07 74.02 Favored 'General case' 0 N--CA 1.438 -1.047 0 CA-C-N 118.906 0.775 . . . . 0.0 108.919 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -64.62 -15.23 60.86 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 114.505 1.298 . . . . 0.0 114.505 -178.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -47.08 -42.45 18.84 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 119.823 1.192 . . . . 0.0 109.991 177.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -66.55 7.43 0.34 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 127.542 2.337 . . . . 0.0 114.036 179.429 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.0 m -131.88 -35.17 1.26 Allowed 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 126.368 1.867 . . . . 0.0 110.615 -173.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.5 mm -43.05 -35.85 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 C-N-CA 125.605 1.562 . . . . 0.0 110.478 177.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -51.95 -44.35 55.99 Favored Glycine 0 CA--C 1.536 1.369 0 CA-C-N 118.335 0.516 . . . . 0.0 112.669 178.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.2 m -89.37 -44.61 10.07 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 118.097 0.948 . . . . 0.0 111.164 -179.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 52.8 m-70 -78.65 -34.58 46.28 Favored 'General case' 0 N--CA 1.435 -1.212 0 N-CA-C 116.924 2.194 . . . . 0.0 116.924 -174.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 97.79 155.05 29.75 Favored Glycine 0 CA--C 1.531 1.053 0 N-CA-C 107.225 -2.35 . . . . 0.0 107.225 -175.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.83 -43.39 59.09 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 118.658 1.229 . . . . 0.0 110.977 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 57.7 p30 -88.38 8.38 27.97 Favored 'General case' 0 N--CA 1.436 -1.139 0 C-N-CA 129.29 3.036 . . . . 0.0 112.719 -179.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 43.33 31.07 1.39 Allowed Glycine 0 CA--C 1.527 0.819 0 C-N-CA 126.044 1.783 . . . . 0.0 113.495 -177.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.1 m -94.35 -18.28 21.75 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 123.332 0.653 . . . . 0.0 111.075 -178.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -70.45 123.2 21.2 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 178.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.53 85.34 0.62 Allowed 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 106.218 -1.771 . . . . 0.0 106.218 177.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.13 141.75 7.78 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 115.458 1.651 . . . . 0.0 115.458 -175.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 15.2 tpt 31.13 -84.81 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 130.249 3.42 . . . . 0.0 114.672 178.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.32 -33.16 64.96 Favored Glycine 0 CA--C 1.525 0.672 0 C-N-CA 123.322 0.487 . . . . 0.0 112.882 -178.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 67.8 m 119.9 60.36 0.0 OUTLIER 'General case' 0 N--CA 1.457 -0.098 0 C-N-CA 131.367 3.867 . . . . 0.0 104.086 -177.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.39 143.4 19.14 Favored 'General case' 0 N--CA 1.439 -1.022 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 -176.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -60.55 113.2 6.95 Favored Pre-proline 0 N--CA 1.448 -0.561 0 N-CA-C 101.433 -3.543 . . . . 0.0 101.433 172.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -34.95 121.06 0.16 Allowed 'Trans proline' 0 N--CA 1.454 -0.816 0 C-N-CA 123.419 2.746 . . . . 0.0 111.818 -175.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.0 t -61.7 -40.94 88.54 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 N-CA-C 105.032 -2.21 . . . . 0.0 105.032 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -49.42 115.79 1.48 Allowed 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 124.516 1.126 . . . . 0.0 109.058 173.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 105.74 -15.41 45.03 Favored Glycine 0 N--CA 1.443 -0.866 0 C-N-CA 124.83 1.205 . . . . 0.0 111.086 177.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -69.92 143.42 52.73 Favored 'General case' 0 N--CA 1.435 -1.224 0 CA-C-N 118.734 1.267 . . . . 0.0 108.026 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -86.2 148.42 22.23 Favored Glycine 0 N--CA 1.471 1.008 0 O-C-N 121.262 -0.899 . . . . 0.0 113.595 -176.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -46.92 -48.41 21.34 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 119.697 1.749 . . . . 0.0 112.211 -178.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -59.29 -47.74 84.26 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -56.91 -60.54 3.43 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 125.2 1.4 . . . . 0.0 109.157 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 35.0 mt -50.8 -49.3 58.8 Favored 'General case' 0 N--CA 1.441 -0.898 0 C-N-CA 126.789 2.036 . . . . 0.0 109.83 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -65.74 -48.25 72.55 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 119.042 -0.504 . . . . 0.0 110.95 -178.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -60.88 -40.2 92.11 Favored 'General case' 0 N--CA 1.426 -1.64 0 CA-C-N 119.492 1.042 . . . . 0.0 110.486 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -70.66 -48.31 55.5 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-O 121.144 0.497 . . . . 0.0 110.922 -178.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -64.71 -38.04 89.64 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -65.4 -41.84 93.24 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 106.701 -1.592 . . . . 0.0 106.701 176.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.17 -49.34 50.46 Favored Glycine 0 CA--C 1.529 0.926 0 N-CA-C 108.842 -1.703 . . . . 0.0 108.842 176.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -66.61 -47.12 73.66 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 118.328 1.064 . . . . 0.0 109.883 178.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -48.62 -46.91 40.35 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.557 1.143 . . . . 0.0 110.693 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -93.1 8.1 41.45 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.784 1.234 . . . . 0.0 112.661 -178.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 52.16 36.32 44.06 Favored Glycine 0 CA--C 1.533 1.195 0 C-N-CA 124.126 0.87 . . . . 0.0 113.22 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.4 t -111.43 18.8 18.83 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.472 1.509 . . . . 0.0 112.005 -178.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 5.0 t80 . . . . . 0 N--CA 1.456 -0.168 0 N-CA-C 105.611 -1.996 . . . . 0.0 105.611 179.374 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.444 -0.743 0 N-CA-C 113.253 0.835 . . . . 0.0 113.253 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.4 -41.53 98.74 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 121.009 -1.057 . . . . 0.0 108.226 175.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 85.2 mtp -61.98 -45.93 91.48 Favored 'General case' 0 C--N 1.34 0.187 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 178.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 28.4 mmm -55.13 -53.23 58.56 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.153 178.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 89.3 m -51.04 -52.38 43.75 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 178.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -57.4 -34.34 68.78 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.027 178.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.29 -47.64 48.47 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.3 m -86.57 -21.72 7.33 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 -173.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 25.8 pttm -47.39 -29.84 2.89 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 120.016 1.28 . . . . 0.0 114.416 -176.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.7 pttm -68.76 -18.01 64.14 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -179.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -83.48 -168.52 2.14 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-O 123.789 1.756 . . . . 0.0 110.8 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 58.7 m -153.16 163.57 39.64 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 128.566 2.747 . . . . 0.0 107.897 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -36.04 -50.28 0.69 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.88 1.672 . . . . 0.0 113.767 -178.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.78 -53.87 52.08 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -178.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -56.62 -46.5 80.9 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.705 0.802 . . . . 0.0 109.464 179.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.8 mt -58.97 -48.76 80.38 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 118.063 0.392 . . . . 0.0 110.217 179.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.1 tmmm? -57.3 -46.86 82.76 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 179.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.96 -45.76 90.91 Favored 'General case' 0 N--CA 1.454 -0.242 0 O-C-N 122.044 -0.41 . . . . 0.0 110.541 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.8 mt -58.42 -49.74 76.2 Favored 'General case' 0 N--CA 1.448 -0.543 0 O-C-N 121.828 -0.545 . . . . 0.0 109.858 179.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.48 -36.87 83.86 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -58.79 -48.88 79.72 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 177.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -58.7 -60.78 3.28 Favored 'General case' 0 C--N 1.342 0.275 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 177.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 74.7 mtm -52.73 -30.81 34.53 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 178.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.8 t -70.1 -17.95 63.23 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 120.017 -1.677 . . . . 0.0 111.908 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -96.75 15.93 20.54 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 176.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.4 tp . . . . . 0 C--O 1.249 1.067 0 C-N-CA 126.076 1.751 . . . . 0.0 107.373 179.857 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 CA--C 1.532 0.253 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -47.62 -47.7 23.45 Favored Glycine 0 CA--C 1.527 0.841 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 178.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.37 -29.64 58.81 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.92 -46.65 13.76 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 179.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 85.0 mt -56.36 -46.09 80.18 Favored 'General case' 0 N--CA 1.439 -0.999 0 CA-C-O 119.12 -0.467 . . . . 0.0 110.006 -178.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.462 ' CE1' ' SD ' ' A' ' 76' ' ' MET . 2.1 t80 -63.66 -14.3 50.74 Favored 'General case' 0 C--N 1.345 0.392 0 N-CA-C 114.659 1.355 . . . . 0.0 114.659 -177.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -60.35 -24.55 65.15 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 120.98 -1.075 . . . . 0.0 110.086 177.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.08 -3.26 25.23 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.814 0.846 . . . . 0.0 112.293 177.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.2 m -119.52 -34.05 3.9 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 127.323 2.249 . . . . 0.0 111.742 -174.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.1 mp -43.2 -31.39 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 C-N-CA 126.051 1.74 . . . . 0.0 110.714 177.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -50.77 -46.0 48.46 Favored Glycine 0 CA--C 1.537 1.42 0 O-C-N 121.655 -0.653 . . . . 0.0 112.475 177.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.5 m -91.74 -45.7 8.29 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 118.265 1.032 . . . . 0.0 110.675 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -75.18 -17.58 60.35 Favored 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 -175.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.9 157.16 31.41 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 109.887 -1.285 . . . . 0.0 109.887 -178.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -36.63 -59.92 0.63 Allowed 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.96 1.704 . . . . 0.0 112.997 -178.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -100.08 32.93 2.77 Favored 'General case' 0 N--CA 1.443 -0.825 0 C-N-CA 126.104 1.761 . . . . 0.0 111.747 -179.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 45.61 35.18 5.5 Favored Glycine 0 CA--C 1.53 1.015 0 C-N-CA 125.416 1.484 . . . . 0.0 114.715 178.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.3 p -86.65 -29.44 22.51 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 125.797 1.639 . . . . 0.0 113.145 -177.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -71.36 136.78 47.96 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 121.492 0.663 . . . . 0.0 110.717 -177.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.97 77.58 2.85 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 104.92 -2.252 . . . . 0.0 104.92 175.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -32.22 121.72 0.31 Allowed 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 126.194 1.798 . . . . 0.0 115.071 -175.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 26.5 mmt 22.89 -69.81 0.0 OUTLIER 'General case' 0 C--N 1.344 0.349 1 C-N-CA 132.307 4.243 . . . . 0.0 115.297 178.084 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.16 -24.89 37.64 Favored Glycine 0 CA--C 1.527 0.823 0 C-N-CA 124.017 0.818 . . . . 0.0 112.405 178.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.5 m 107.21 53.53 0.0 OUTLIER 'General case' 0 C--N 1.335 -0.054 0 C-N-CA 130.883 3.673 . . . . 0.0 106.118 -179.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.44 153.15 27.88 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 115.621 1.712 . . . . 0.0 115.621 -176.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -64.42 133.87 95.81 Favored Pre-proline 0 N--CA 1.449 -0.515 0 N-CA-C 102.533 -3.136 . . . . 0.0 102.533 172.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -49.02 113.74 1.02 Allowed 'Trans proline' 0 N--CA 1.456 -0.685 0 C-N-CA 122.531 2.154 . . . . 0.0 110.924 -176.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 37.1 t -62.88 -31.98 54.32 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 CA-C-O 118.968 -0.539 . . . . 0.0 109.925 -177.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -46.46 86.51 0.0 OUTLIER 'General case' 0 CA--C 1.522 -0.13 0 N-CA-C 115.77 1.767 . . . . 0.0 115.77 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 80.52 24.97 57.81 Favored Glycine 0 N--CA 1.436 -1.356 0 CA-C-N 111.467 -2.606 . . . . 0.0 112.577 175.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . 0.292 20.8 pt20 -75.53 96.95 3.6 Favored 'General case' 0 N--CA 1.44 -0.937 0 CA-C-N 119.672 1.736 . . . . 0.0 109.336 179.419 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 53.52 -145.33 23.66 Favored Glycine 0 CA--C 1.545 1.949 0 C-N-CA 126.319 1.914 . . . . 0.0 111.129 -174.104 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -156.69 -61.63 0.1 Allowed 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 129.989 3.316 . . . . 0.0 102.255 176.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.3 tm-20 -57.59 -37.02 72.51 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 106.877 -1.527 . . . . 0.0 106.877 174.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -59.89 -65.02 0.74 Allowed 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 178.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.26 -38.43 58.17 Favored 'General case' 0 N--CA 1.451 -0.379 0 O-C-N 121.927 -0.483 . . . . 0.0 112.077 -179.319 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -66.1 -45.31 81.66 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 118.105 0.411 . . . . 0.0 111.209 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.7 ttmt -61.28 -44.9 96.47 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 -179.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 24.7 mmtp -66.48 -48.94 68.26 Favored 'General case' 0 N--CA 1.435 -1.188 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.99 -178.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 60.8 mtm -62.5 -39.46 93.58 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-O 118.143 -0.932 . . . . 0.0 109.866 178.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -58.68 -45.03 90.34 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 107.289 -1.375 . . . . 0.0 107.289 177.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -54.08 -54.32 32.2 Favored Glycine 0 CA--C 1.534 1.236 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 177.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -61.86 -52.55 63.67 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 118.252 1.026 . . . . 0.0 109.918 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -45.74 -53.46 9.43 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 127.222 2.209 . . . . 0.0 110.797 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -84.22 5.77 25.25 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.108 0.963 . . . . 0.0 112.48 -178.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 56.98 32.27 62.34 Favored Glycine 0 CA--C 1.531 1.073 0 CA-C-N 119.097 0.862 . . . . 0.0 112.024 -179.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.2 t -108.08 10.91 28.04 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.889 1.275 . . . . 0.0 111.357 -179.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 10.6 t80 . . . . . 0 N--CA 1.451 -0.393 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 -179.633 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 62.7 mttp . . . . . 0 N--CA 1.437 -1.095 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.62 -39.96 73.43 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 176.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 22.1 mmt -61.39 -43.29 99.13 Favored 'General case' 0 C--N 1.34 0.188 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 178.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 32.3 mmm -57.65 -61.48 2.48 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 177.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 64.2 m -44.11 -48.59 9.06 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.607 1.163 . . . . 0.0 109.765 177.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -60.13 -44.11 95.16 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 122.346 0.259 . . . . 0.0 111.401 179.06 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.82 -32.15 70.43 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 122.965 0.506 . . . . 0.0 111.861 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 74.8 t -84.01 -39.1 14.51 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 C-N-CA 125.841 1.656 . . . . 0.0 114.409 -175.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.1 pttp -50.83 -26.15 5.39 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 120.08 1.309 . . . . 0.0 114.183 -177.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -65.88 -21.7 66.47 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 118.425 0.557 . . . . 0.0 112.321 179.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -90.79 -169.67 2.45 Favored 'General case' 0 N--CA 1.441 -0.917 0 CA-C-O 123.855 1.788 . . . . 0.0 111.675 -178.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 38.5 m -157.47 158.65 36.15 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 129.016 2.926 . . . . 0.0 107.235 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -27.71 -54.08 0.09 Allowed 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 126.928 2.091 . . . . 0.0 115.194 -177.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -61.1 -48.98 79.16 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 121.392 0.615 . . . . 0.0 110.624 -178.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -61.39 -46.15 91.36 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 179.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 63.8 mt -57.84 -50.34 73.61 Favored 'General case' 0 C--N 1.34 0.161 0 CA-C-O 120.685 0.279 . . . . 0.0 110.462 179.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -56.68 -47.91 78.8 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 122.979 0.511 . . . . 0.0 109.681 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.39 -43.88 96.3 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -178.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 10.3 mt -58.98 -49.97 75.86 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 179.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.57 -51.2 69.54 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 117.919 0.327 . . . . 0.0 110.556 -178.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -51.33 -45.71 62.38 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 178.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -61.56 -61.59 2.42 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 177.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.462 ' SD ' ' CE1' ' A' ' 7' ' ' TYR . 66.8 mtm -47.72 -29.3 2.96 Favored 'General case' 0 C--N 1.342 0.253 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 178.279 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.0 t -56.35 -36.42 68.77 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 121.963 -0.461 . . . . 0.0 110.178 178.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.0 tmtm? -91.79 -42.9 9.84 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 175.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.058 0 C-N-CA 128.163 2.585 . . . . 0.0 109.804 -179.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 . . . . . 0 N--CA 1.456 -0.171 0 CA-C-O 120.581 0.229 . . . . 0.0 110.561 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -47.19 -51.83 13.96 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 111.346 -0.702 . . . . 0.0 111.346 179.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.84 -29.27 54.72 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 179.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.21 -42.74 18.56 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 63.3 mt -62.37 -37.37 85.44 Favored 'General case' 0 N--CA 1.436 -1.163 0 C-N-CA 123.131 0.572 . . . . 0.0 109.597 -178.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -74.25 -9.54 58.71 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 115.262 1.578 . . . . 0.0 115.262 -178.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -53.91 -35.28 61.48 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 120.352 1.433 . . . . 0.0 113.598 -177.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 p -75.43 8.61 2.67 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.878 1.271 . . . . 0.0 112.655 178.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.2 m -121.8 -35.77 3.14 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 126.307 1.843 . . . . 0.0 108.82 -175.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 21.1 mm -45.77 -32.86 1.39 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 126.085 1.754 . . . . 0.0 109.949 175.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -55.66 -38.91 73.91 Favored Glycine 0 CA--C 1.537 1.428 0 O-C-N 121.409 -0.807 . . . . 0.0 112.73 178.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 t -94.77 -46.19 7.01 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 117.951 0.876 . . . . 0.0 110.577 -179.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -77.31 -23.1 51.05 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 -176.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.05 157.94 33.89 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.411 -1.076 . . . . 0.0 110.411 -178.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.56 -44.34 25.97 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.551 1.14 . . . . 0.0 111.661 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 56.6 p-10 -100.19 19.88 15.66 Favored 'General case' 0 N--CA 1.438 -1.06 0 C-N-CA 127.792 2.437 . . . . 0.0 113.067 -178.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 49.62 20.74 2.86 Favored Glycine 0 CA--C 1.528 0.865 0 C-N-CA 124.227 0.917 . . . . 0.0 115.282 179.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.2 m -95.33 -11.27 28.08 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 117.935 0.867 . . . . 0.0 112.51 -176.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -77.81 129.64 35.69 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 107.187 -1.412 . . . . 0.0 107.187 178.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.91 86.84 1.0 Allowed 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 107.622 -1.251 . . . . 0.0 107.622 178.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -31.07 113.42 0.11 Allowed 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 127.573 2.349 . . . . 0.0 113.21 -179.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 4.5 tpt 30.97 -78.85 0.0 OUTLIER 'General case' 0 C--N 1.344 0.346 0 C-N-CA 130.613 3.565 . . . . 0.0 114.863 176.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -51.96 -35.76 41.1 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 69.1 m 120.83 64.18 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 130.935 3.694 . . . . 0.0 106.496 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.52 149.74 48.07 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 119.302 -0.959 . . . . 0.0 112.82 179.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.46 120.68 72.4 Favored Pre-proline 0 N--CA 1.448 -0.557 0 N-CA-C 101.822 -3.399 . . . . 0.0 101.822 173.142 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_exo -30.69 112.98 0.04 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 124.456 3.437 . . . . 0.0 113.613 -177.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 24.1 t -60.8 -26.24 37.82 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 179.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.2 tptt -51.71 94.87 0.01 OUTLIER 'General case' 0 CA--C 1.518 -0.258 0 C-N-CA 125.32 1.448 . . . . 0.0 113.099 176.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 97.57 13.3 44.83 Favored Glycine 0 N--CA 1.449 -0.461 0 CA-C-N 112.888 -1.96 . . . . 0.0 113.072 176.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -65.47 151.73 45.66 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 106.017 -1.846 . . . . 0.0 106.017 177.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -69.78 132.45 24.35 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 119.943 -1.723 . . . . 0.0 113.19 -176.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.32 -47.85 36.54 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 119.801 1.8 . . . . 0.0 111.206 179.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -59.98 -42.37 94.05 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.8 tt0 -60.36 -62.2 2.04 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 178.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 41.0 mt -46.83 -46.27 20.72 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 126.596 1.958 . . . . 0.0 110.022 179.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -64.4 -54.63 29.8 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 122.898 0.479 . . . . 0.0 111.968 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.4 mtpm? -57.59 -41.47 81.24 Favored 'General case' 0 N--CA 1.429 -1.493 0 CA-C-N 118.933 0.788 . . . . 0.0 110.092 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp -62.26 -50.4 71.84 Favored 'General case' 0 N--CA 1.438 -1.04 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 64.3 mtm -62.81 -37.66 87.63 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 117.711 -1.138 . . . . 0.0 110.661 178.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.2 tptt -61.11 -41.78 97.32 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 120.412 1.46 . . . . 0.0 107.452 178.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -55.76 -51.26 56.31 Favored Glycine 0 CA--C 1.533 1.206 0 N-CA-C 110.412 -1.075 . . . . 0.0 110.412 176.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.403 ' CZ ' ' CE2' ' A' ' 49' ' ' TYR . 15.4 m-85 -68.17 -31.33 70.81 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.066 0.546 . . . . 0.0 111.694 179.241 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.06 -59.93 2.51 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 124.154 0.982 . . . . 0.0 110.511 -177.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -145.16 29.65 1.17 Allowed 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 -175.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -131.42 19.02 4.87 Favored Glycine 0 CA--C 1.527 0.796 0 CA-C-N 119.902 1.228 . . . . 0.0 113.057 -179.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.7 t 37.86 40.29 0.27 Allowed 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 127.933 2.493 . . . . 0.0 112.496 179.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.403 ' CE2' ' CZ ' ' A' ' 44' ' ' TYR . 1.8 t80 . . . . . 0 C--N 1.333 -0.15 0 N-CA-C 106.651 -1.611 . . . . 0.0 106.651 177.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.435 -1.196 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.02 -51.29 68.31 Favored 'General case' 0 CA--C 1.532 0.269 0 O-C-N 120.94 -1.1 . . . . 0.0 109.351 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 26.0 mmt -57.47 -49.86 74.92 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 178.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 32.1 mmm -50.51 -53.7 28.01 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.416 1.086 . . . . 0.0 111.749 179.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 28.2 m -52.07 -54.98 23.69 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -58.07 -37.55 74.67 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 179.226 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.11 -54.07 39.74 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 123.055 0.542 . . . . 0.0 111.644 -178.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.1 m -80.33 -23.07 11.43 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 C-N-CA 119.613 -0.835 . . . . 0.0 111.734 -174.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -49.84 -33.05 15.69 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -177.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -76.69 -7.89 56.2 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 -178.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -92.99 178.79 5.64 Favored 'General case' 0 N--CA 1.441 -0.899 0 N-CA-C 107.721 -1.215 . . . . 0.0 107.721 179.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.8 m -127.07 157.1 40.54 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 126.984 2.113 . . . . 0.0 109.446 -177.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -39.47 -50.86 2.16 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.176 1.39 . . . . 0.0 114.202 -179.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -63.74 -39.39 94.18 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 121.22 0.533 . . . . 0.0 110.21 -178.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -67.07 -44.9 78.93 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 179.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.5 mt -57.27 -46.23 83.27 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 122.993 0.517 . . . . 0.0 109.91 177.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -59.69 -49.51 77.45 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 178.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.54 -45.81 88.12 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 -179.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.4 mt -54.91 -59.86 4.16 Favored 'General case' 0 N--CA 1.441 -0.906 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 178.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.03 -46.13 78.95 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 117.985 0.357 . . . . 0.0 110.874 -177.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -52.45 -47.06 66.65 Favored 'General case' 0 N--CA 1.457 -0.077 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 179.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -65.71 -65.21 0.7 Allowed 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 119.103 -0.475 . . . . 0.0 109.883 177.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.1 mtp -46.05 -32.11 2.66 Favored 'General case' 0 C--N 1.34 0.18 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 -179.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.6 t -63.38 -35.18 79.54 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 121.699 -0.625 . . . . 0.0 110.266 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 38.2 mmtm -83.05 -48.38 10.67 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 176.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.099 0 C-N-CA 128.781 2.832 . . . . 0.0 110.018 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.7 t0 . . . . . 0 CA--C 1.533 0.321 0 CA-C-O 120.915 0.388 . . . . 0.0 111.878 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.52 -44.4 90.56 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 109.938 -1.265 . . . . 0.0 109.938 177.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.3 -7.68 20.26 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 112.902 0.704 . . . . 0.0 112.902 179.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -99.07 -52.02 3.67 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 106.753 -1.573 . . . . 0.0 106.753 175.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 32.7 mt -56.14 -41.25 75.09 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-O 119.0 -0.524 . . . . 0.0 110.952 -179.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -67.96 -16.11 63.91 Favored 'General case' 0 C--N 1.345 0.41 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 -177.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.1 mmpt? -61.29 -25.19 66.94 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 120.761 -1.212 . . . . 0.0 110.458 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.95 -5.89 38.09 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.318 1.047 . . . . 0.0 112.304 177.721 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.9 m -112.38 -36.05 5.39 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 128.034 2.533 . . . . 0.0 110.708 -175.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -44.5 -30.25 0.64 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 C-N-CA 126.363 1.865 . . . . 0.0 110.638 177.166 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -50.6 -41.88 43.13 Favored Glycine 0 CA--C 1.536 1.375 0 CA-C-N 118.764 0.711 . . . . 0.0 111.546 176.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.2 m -97.47 -50.22 4.6 Favored 'General case' 0 C--N 1.341 0.235 0 CA-C-N 117.689 0.745 . . . . 0.0 109.927 178.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 69.4 m-70 -67.11 -19.25 65.59 Favored 'General case' 0 N--CA 1.433 -1.308 0 C-N-CA 126.701 2.0 . . . . 0.0 115.23 -175.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 83.95 155.69 21.81 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.346 -1.102 . . . . 0.0 110.346 -178.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -29.31 -58.69 0.15 Allowed 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 127.37 2.268 . . . . 0.0 113.769 -178.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -111.91 41.12 2.0 Favored 'General case' 0 N--CA 1.439 -0.988 0 C-N-CA 126.343 1.857 . . . . 0.0 111.571 -179.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 49.63 31.39 15.1 Favored Glycine 0 CA--C 1.531 1.052 0 CA-C-N 118.901 0.773 . . . . 0.0 114.384 178.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.6 p -87.73 -31.74 19.51 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 126.213 1.805 . . . . 0.0 112.772 -177.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -73.43 137.95 44.9 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 121.484 0.659 . . . . 0.0 109.285 -179.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.43 75.82 3.18 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 106.369 -1.715 . . . . 0.0 106.369 178.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -21.46 69.52 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 130.921 3.688 . . . . 0.0 119.897 -173.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 24.0 mmt 63.93 -67.27 0.1 Allowed 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 126.505 1.922 . . . . 0.0 109.898 178.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.61 36.21 1.83 Allowed Glycine 0 CA--C 1.526 0.763 0 O-C-N 121.493 -0.754 . . . . 0.0 111.855 178.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 27.3 m 52.23 49.89 19.58 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 125.997 1.719 . . . . 0.0 111.871 178.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.71 136.82 57.8 Favored 'General case' 0 C--N 1.346 0.448 0 C-N-CA 117.399 -1.72 . . . . 0.0 114.102 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -59.67 120.02 45.6 Favored Pre-proline 0 CA--C 1.54 0.59 0 N-CA-C 103.564 -2.754 . . . . 0.0 103.564 174.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -26.02 105.73 0.02 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.593 1 C-N-CA 125.501 4.134 . . . . 0.0 114.173 -175.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.2 t -61.24 -30.3 47.6 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -58.72 88.45 0.01 OUTLIER 'General case' 0 C--N 1.343 0.288 0 C-N-CA 124.897 1.279 . . . . 0.0 110.75 177.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 119.95 -2.53 13.21 Favored Glycine 0 CA--C 1.521 0.427 0 CA-C-N 114.59 -1.186 . . . . 0.0 113.317 177.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -62.36 146.71 50.51 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 106.12 -1.808 . . . . 0.0 106.12 176.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -77.57 143.27 27.91 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 120.844 -1.16 . . . . 0.0 113.947 -175.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.98 -48.28 16.56 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 119.621 1.71 . . . . 0.0 111.824 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -59.97 -44.06 94.68 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -59.89 -63.08 1.43 Allowed 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 42.1 mt -46.29 -48.38 18.12 Favored 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 126.814 2.046 . . . . 0.0 110.187 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -68.93 -49.76 55.24 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 118.882 -0.58 . . . . 0.0 112.049 -179.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 66.1 tttp -57.65 -40.19 78.74 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 118.806 0.73 . . . . 0.0 109.38 -179.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -67.18 -51.9 47.98 Favored 'General case' 0 N--CA 1.437 -1.119 0 C-N-CA 124.125 0.97 . . . . 0.0 110.257 -178.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 66.7 mtm -63.31 -35.99 82.19 Favored 'General case' 0 C--O 1.219 -0.53 0 CA-C-O 118.57 -0.729 . . . . 0.0 110.068 178.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -60.99 -46.98 88.58 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 177.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.57 -53.86 30.34 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.221 -1.152 . . . . 0.0 110.221 176.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -63.94 -41.86 97.48 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.23 1.015 . . . . 0.0 111.348 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.83 -50.11 61.52 Favored 'General case' 0 CA--C 1.527 0.092 0 C-N-CA 125.658 1.583 . . . . 0.0 108.434 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -86.5 7.84 24.37 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.515 1.126 . . . . 0.0 112.278 -179.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 52.51 34.5 42.67 Favored Glycine 0 CA--C 1.534 1.256 0 CA-C-N 119.204 0.911 . . . . 0.0 112.709 -179.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.8 t -118.21 34.77 5.02 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 125.656 1.582 . . . . 0.0 111.24 -178.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 27.3 t80 . . . . . 0 N--CA 1.454 -0.241 0 N-CA-C 106.594 -1.632 . . . . 0.0 106.594 179.887 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.0 pttm . . . . . 0 C--O 1.225 -0.215 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.78 -50.99 70.12 Favored 'General case' 0 N--CA 1.457 -0.118 0 O-C-N 122.365 -0.209 . . . . 0.0 110.681 -178.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 38.7 mmt -59.76 -43.11 94.46 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 179.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 36.2 mmm -57.92 -60.77 3.21 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.232 179.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 19.9 m -52.73 -42.16 64.63 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 118.82 0.736 . . . . 0.0 109.679 177.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.84 -38.99 90.26 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 119.624 1.102 . . . . 0.0 110.506 178.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.78 -36.14 65.02 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.93 0.892 . . . . 0.0 112.318 -178.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 53.8 t -87.28 -50.94 13.43 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 C-N-CA 126.671 1.989 . . . . 0.0 114.631 -175.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -54.91 -26.68 37.67 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 124.033 0.933 . . . . 0.0 112.975 -176.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -70.17 -18.64 63.21 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 118.836 0.743 . . . . 0.0 111.234 178.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -89.3 -178.49 5.64 Favored 'General case' 0 N--CA 1.437 -1.078 0 CA-C-O 122.556 1.17 . . . . 0.0 108.878 178.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.2 m -122.94 158.58 30.1 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 127.385 2.274 . . . . 0.0 109.46 -178.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -42.54 -47.28 5.12 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.873 1.269 . . . . 0.0 112.374 179.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -58.87 -49.56 77.32 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.172 0.989 . . . . 0.0 110.003 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -62.06 -44.06 97.5 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 81.3 mt -60.67 -43.43 97.69 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 122.826 0.45 . . . . 0.0 110.307 178.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.53 -45.65 89.61 Favored 'General case' 0 N--CA 1.433 -1.32 0 C-N-CA 123.781 0.832 . . . . 0.0 109.227 178.562 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.66 -45.09 95.53 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 -179.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.3 mt -57.32 -60.47 3.58 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-O 118.891 -0.576 . . . . 0.0 109.708 178.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.94 -42.43 72.3 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.31 -177.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -54.45 -52.47 61.75 Favored 'General case' 0 C--N 1.34 0.164 0 N-CA-C 108.469 -0.938 . . . . 0.0 108.469 178.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -58.95 -62.03 2.19 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 178.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.5 mtp -48.73 -34.67 12.52 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 113.839 1.051 . . . . 0.0 113.839 -179.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.9 t -57.8 -30.86 66.04 Favored 'General case' 0 CA--C 1.534 0.362 0 O-C-N 121.48 -0.762 . . . . 0.0 110.02 179.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -117.71 42.94 2.5 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.468 1.907 . . . . 0.0 107.589 176.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.211 0 C-N-CA 127.739 2.415 . . . . 0.0 112.302 -178.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 56.2 t0 . . . . . 0 CA--C 1.514 -0.433 1 N-CA-C 98.406 -4.664 . . . . 0.0 98.406 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 85.41 95.52 0.75 Allowed Glycine 0 N--CA 1.421 -2.337 1 N-CA-C 95.558 -7.017 . . . . 0.0 95.558 -162.32 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 99.95 -30.8 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 128.504 2.722 . . . . 0.0 109.173 -174.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -86.15 -36.55 19.47 Favored 'General case' 0 C--N 1.351 0.632 0 CA-C-N 120.525 1.512 . . . . 0.0 108.916 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.9 mt -74.86 -37.9 62.09 Favored 'General case' 0 N--CA 1.442 -0.847 0 C-N-CA 118.606 -1.238 . . . . 0.0 108.983 -178.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -62.09 -18.29 60.29 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 -177.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? -51.74 -38.67 56.3 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 119.399 0.999 . . . . 0.0 111.289 178.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.1 p -66.72 -29.24 69.17 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.7 m -83.9 -35.09 24.35 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 126.841 2.057 . . . . 0.0 109.937 -175.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -48.55 -31.87 3.8 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 C-N-CA 125.038 1.335 . . . . 0.0 110.253 178.638 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -52.48 -40.87 55.09 Favored Glycine 0 CA--C 1.534 1.281 0 CA-C-O 119.616 -0.547 . . . . 0.0 112.233 178.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 12.8 m -98.36 -47.3 5.47 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 117.898 0.849 . . . . 0.0 110.687 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -74.13 -22.07 59.61 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 114.727 1.38 . . . . 0.0 114.727 -175.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.98 151.61 10.57 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.99 64.32 5.7 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 106.346 -1.724 . . . . 0.0 106.346 176.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.1 p30 179.6 -16.81 0.0 OUTLIER 'General case' 0 N--CA 1.437 -1.105 0 C-N-CA 130.098 3.359 . . . . 0.0 111.958 -174.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 56.56 19.4 26.98 Favored Glycine 0 C--N 1.342 0.908 0 CA-C-N 119.367 0.985 . . . . 0.0 113.694 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.3 m -104.73 -19.48 13.92 Favored 'General case' 0 N--CA 1.445 -0.695 0 C-N-CA 125.671 1.588 . . . . 0.0 109.971 -178.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -67.49 112.17 4.52 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 105.864 -1.902 . . . . 0.0 105.864 177.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.62 86.09 0.2 Allowed 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 -179.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -43.53 130.25 5.19 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 125.27 1.428 . . . . 0.0 113.572 -176.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 24.8 mmt 24.28 -79.7 0.0 OUTLIER 'General case' 0 C--N 1.342 0.275 0 C-N-CA 130.867 3.667 . . . . 0.0 114.871 179.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -52.91 -40.42 57.62 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 111.56 -0.616 . . . . 0.0 111.56 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 71.0 m 126.78 62.85 0.0 OUTLIER 'General case' 0 C--O 1.232 0.163 0 C-N-CA 131.7 4.0 . . . . 0.0 107.633 179.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.19 128.41 33.79 Favored 'General case' 0 C--N 1.345 0.388 0 C-N-CA 119.323 -0.951 . . . . 0.0 112.551 179.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.4 mmtm -64.64 120.61 67.32 Favored Pre-proline 0 N--CA 1.45 -0.435 0 N-CA-C 103.799 -2.667 . . . . 0.0 103.799 176.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 0.5 OUTLIER -19.5 97.92 0.01 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.698 1 C-N-CA 126.22 4.613 . . . . 0.0 115.1 -175.895 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.6 t -56.93 -30.22 33.0 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 N-CA-C 107.57 -1.271 . . . . 0.0 107.57 178.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -42.88 90.86 0.0 OUTLIER 'General case' 0 C--N 1.344 0.351 0 C-N-CA 126.688 1.995 . . . . 0.0 113.792 177.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 68.58 42.3 81.25 Favored Glycine 0 N--CA 1.443 -0.846 0 CA-C-N 113.327 -1.76 . . . . 0.0 110.258 177.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -52.71 -41.46 63.96 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 178.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -173.67 -108.36 0.21 Allowed Glycine 0 CA--C 1.534 1.234 0 C-N-CA 127.317 2.389 . . . . 0.0 108.181 173.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 173.9 -57.87 0.01 OUTLIER 'General case' 0 CA--C 1.515 -0.369 0 C-N-CA 131.391 3.876 . . . . 0.0 101.806 176.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.1 tp10 -64.4 -42.13 96.27 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 105.797 -1.927 . . . . 0.0 105.797 173.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -57.58 -65.75 0.58 Allowed 'General case' 0 C--N 1.344 0.331 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 177.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 29.1 mt -44.51 -47.51 10.12 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.692 1.597 . . . . 0.0 110.946 179.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -62.79 -53.7 50.34 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 124.171 0.988 . . . . 0.0 111.395 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -58.24 -40.33 81.48 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 -179.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 65.3 mmtt -63.12 -52.8 61.13 Favored 'General case' 0 N--CA 1.441 -0.905 0 C-N-CA 123.767 0.827 . . . . 0.0 109.37 -179.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 66.2 mtm -64.72 -36.64 84.95 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-O 118.263 -0.875 . . . . 0.0 111.029 178.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -60.29 -43.67 96.07 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 106.638 -1.615 . . . . 0.0 106.638 177.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -55.21 -53.4 40.86 Favored Glycine 0 CA--C 1.528 0.902 0 N-CA-C 110.191 -1.164 . . . . 0.0 110.191 176.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -61.17 -46.83 88.9 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 118.515 1.157 . . . . 0.0 110.031 179.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.24 -43.49 61.5 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 125.678 1.591 . . . . 0.0 109.712 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -93.47 7.89 42.79 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.893 0.877 . . . . 0.0 112.101 -178.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 53.82 32.08 47.46 Favored Glycine 0 CA--C 1.532 1.151 0 C-N-CA 124.304 0.954 . . . . 0.0 112.474 -178.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.2 t -118.3 33.86 5.45 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.613 1.565 . . . . 0.0 111.458 -178.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 35.9 t80 . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 106.618 -1.623 . . . . 0.0 106.618 179.768 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.225 -0.236 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.42 -54.08 48.22 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 118.267 0.485 . . . . 0.0 109.986 -179.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 26.6 mmt -59.17 -48.41 81.7 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 108.534 -0.914 . . . . 0.0 108.534 179.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 22.4 mmm -55.74 -51.23 68.07 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 120.971 0.415 . . . . 0.0 111.103 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 89.5 m -56.9 -49.7 74.76 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 178.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -56.95 -35.68 69.38 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 118.444 0.565 . . . . 0.0 110.301 178.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.55 -38.75 77.58 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 118.152 -0.928 . . . . 0.0 112.878 -178.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.9 m -98.13 -35.0 4.88 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-N 119.5 1.046 . . . . 0.0 113.535 -176.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 41.1 tttp -68.06 70.93 0.16 Allowed 'General case' 0 C--N 1.341 0.239 0 C-N-CA 126.342 1.857 . . . . 0.0 110.887 -176.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -169.56 -34.71 0.02 OUTLIER 'General case' 0 N--CA 1.44 -0.938 0 C-N-CA 129.399 3.08 . . . . 0.0 107.841 -179.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -78.86 171.38 15.26 Favored 'General case' 0 N--CA 1.433 -1.304 0 CA-C-O 122.93 1.348 . . . . 0.0 108.648 178.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 99.0 p -108.77 166.48 10.77 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 128.045 2.538 . . . . 0.0 109.706 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -48.81 -48.23 41.6 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.395 0.678 . . . . 0.0 111.932 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -58.34 -52.43 65.64 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.071 0.548 . . . . 0.0 109.809 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -59.11 -42.2 89.95 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 123.242 0.617 . . . . 0.0 110.613 179.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 40.7 mt -60.28 -46.88 88.28 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 177.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.6 tmtt? -59.76 -43.45 94.32 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 178.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.88 -48.2 82.24 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.72 0.808 . . . . 0.0 109.467 179.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.1 mt -57.93 -52.27 66.17 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-O 119.32 -0.372 . . . . 0.0 110.862 178.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.23 -48.12 82.79 Favored 'General case' 0 N--CA 1.454 -0.273 0 O-C-N 123.121 0.263 . . . . 0.0 110.422 -177.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -53.67 -44.77 69.95 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 177.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -64.95 -53.87 39.59 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 120.105 -0.638 . . . . 0.0 109.645 178.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 53.4 mtm -48.34 -38.89 20.33 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 119.405 1.002 . . . . 0.0 111.481 176.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.9 t -54.75 -30.11 55.54 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.231 -0.918 . . . . 0.0 110.676 177.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -99.75 32.36 2.89 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 126.38 1.872 . . . . 0.0 111.997 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 25.1 mt . . . . . 0 C--O 1.249 1.067 0 CA-C-O 117.717 -1.135 . . . . 0.0 108.513 174.284 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.3 t70 . . . . . 0 CA--C 1.529 0.162 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.3 -54.64 35.53 Favored Glycine 0 CA--C 1.527 0.838 0 N-CA-C 111.802 -0.519 . . . . 0.0 111.802 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.66 -46.98 74.1 Favored 'General case' 0 N--CA 1.457 -0.108 0 CA-C-N 117.633 0.716 . . . . 0.0 111.176 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.95 -52.36 64.35 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 70.8 mt -53.09 -48.45 67.76 Favored 'General case' 0 N--CA 1.441 -0.913 0 CA-C-N 118.284 0.493 . . . . 0.0 110.584 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -60.63 -17.42 47.08 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 -177.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -56.83 -35.0 68.31 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 119.904 1.229 . . . . 0.0 109.567 177.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.45 -7.0 21.93 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.526 1.131 . . . . 0.0 112.799 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.5 m -115.23 -36.62 4.3 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 127.563 2.345 . . . . 0.0 110.739 -175.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.2 tp -46.5 -31.39 1.46 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 C-N-CA 125.786 1.634 . . . . 0.0 111.405 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -53.0 -42.45 60.79 Favored Glycine 0 CA--C 1.535 1.285 0 N-CA-C 111.58 -0.608 . . . . 0.0 111.58 177.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.0 m -92.56 -46.0 7.83 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 117.491 0.646 . . . . 0.0 110.05 178.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -69.65 -21.59 63.53 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 115.64 1.719 . . . . 0.0 115.64 -175.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.57 149.2 11.76 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 109.501 -1.439 . . . . 0.0 109.501 -178.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.84 67.24 2.86 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 121.876 0.846 . . . . 0.0 110.046 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.6 p30 169.39 -10.34 0.0 OUTLIER 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 131.178 3.791 . . . . 0.0 112.802 -178.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 55.22 22.82 30.93 Favored Glycine 0 CA--C 1.53 0.987 0 CA-C-N 119.75 1.159 . . . . 0.0 111.859 -177.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.0 m -110.36 -24.48 10.61 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 125.783 1.633 . . . . 0.0 110.346 -178.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -78.32 70.76 4.72 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 179.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -11.55 93.23 0.01 OUTLIER 'General case' 0 C--N 1.342 0.275 0 C-N-CA 129.281 3.032 . . . . 0.0 111.925 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -43.51 132.52 4.7 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 114.311 1.226 . . . . 0.0 114.311 -175.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 26.3 mmt 16.99 -77.04 0.0 OUTLIER 'General case' 0 C--N 1.343 0.305 0 C-N-CA 130.272 3.429 . . . . 0.0 113.527 179.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.1 40.94 1.25 Allowed Glycine 0 CA--C 1.533 1.184 0 CA-C-N 118.722 0.692 . . . . 0.0 112.334 178.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.6 m 49.96 54.5 10.96 Favored 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 126.731 2.012 . . . . 0.0 111.541 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.29 140.8 43.77 Favored 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -59.35 119.37 38.7 Favored Pre-proline 0 N--CA 1.452 -0.374 0 N-CA-C 103.567 -2.753 . . . . 0.0 103.567 175.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_exo -29.47 102.05 0.02 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 124.8 3.666 . . . . 0.0 113.456 -177.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.8 t -57.03 -29.47 31.56 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 51.5 tptt -40.68 91.79 0.0 OUTLIER 'General case' 0 C--N 1.341 0.207 0 C-N-CA 128.368 2.667 . . . . 0.0 113.122 175.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 64.05 44.08 96.37 Favored Glycine 0 N--CA 1.444 -0.81 0 CA-C-N 112.137 -2.301 . . . . 0.0 109.892 178.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -53.9 -42.36 68.61 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 179.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.32 -109.01 0.24 Allowed Glycine 0 CA--C 1.531 1.088 0 C-N-CA 127.734 2.588 . . . . 0.0 107.563 173.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 178.71 -60.26 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 130.555 3.542 . . . . 0.0 101.949 176.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.4 tp10 -63.82 -39.54 94.47 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 105.552 -2.018 . . . . 0.0 105.552 173.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -57.18 -64.36 0.91 Allowed 'General case' 0 C--N 1.343 0.318 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 177.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 17.1 mt -47.53 -44.56 25.87 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.245 1.418 . . . . 0.0 111.128 179.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -65.84 -50.33 64.96 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 123.127 0.571 . . . . 0.0 111.101 179.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -58.5 -41.1 84.6 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.542 0.737 . . . . 0.0 109.128 179.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -62.22 -53.82 49.77 Favored 'General case' 0 N--CA 1.439 -0.997 0 C-N-CA 123.994 0.918 . . . . 0.0 109.072 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 56.7 mtm -60.1 -50.12 74.97 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-O 117.898 -1.049 . . . . 0.0 110.021 178.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -51.72 -42.17 62.07 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 119.772 1.169 . . . . 0.0 108.625 178.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -53.11 -48.68 58.22 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 110.172 -1.171 . . . . 0.0 110.172 176.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -70.32 -54.48 12.41 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 120.747 -1.443 . . . . 0.0 109.231 178.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -38.38 -56.73 1.21 Allowed 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 129.289 3.036 . . . . 0.0 111.42 -178.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -146.57 29.67 1.02 Allowed 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 113.45 0.908 . . . . 0.0 113.45 -175.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -145.84 21.4 1.8 Allowed Glycine 0 CA--C 1.529 0.909 0 CA-C-N 120.435 1.471 . . . . 0.0 113.924 -179.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 24.2 t 39.82 43.42 1.19 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 127.566 2.346 . . . . 0.0 112.89 179.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 27.4 t80 . . . . . 0 CA--C 1.533 0.323 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 175.883 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.3 pttt . . . . . 0 N--CA 1.455 -0.225 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.46 -50.94 65.51 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.447 0.699 . . . . 0.0 110.716 -178.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -59.43 -44.15 92.96 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 179.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 27.2 mmm -57.91 -58.98 6.02 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.839 178.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 64.1 m -51.43 -41.36 60.75 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 123.703 0.801 . . . . 0.0 110.135 177.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -62.63 -48.8 77.79 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 119.801 1.182 . . . . 0.0 110.186 178.056 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.09 -34.73 75.4 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 123.979 0.912 . . . . 0.0 112.471 -179.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 61.1 t -88.69 -50.83 13.08 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 C-N-CA 125.805 1.642 . . . . 0.0 114.625 -175.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 34.3 ttmt -54.85 -27.51 42.92 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.456 1.103 . . . . 0.0 112.599 -177.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.0 ptpp? -66.94 -19.74 65.78 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 118.545 0.611 . . . . 0.0 111.091 177.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -96.71 -176.99 3.76 Favored 'General case' 0 N--CA 1.438 -1.04 0 C-N-CA 125.048 1.339 . . . . 0.0 108.884 178.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.3 t -132.54 167.98 19.04 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 125.839 1.656 . . . . 0.0 109.812 178.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.8 p-10 -35.96 -51.22 0.71 Allowed 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 127.202 2.201 . . . . 0.0 113.264 -179.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -60.59 -54.25 47.72 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.127 0.571 . . . . 0.0 109.796 -178.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.3 mp0 -55.99 -46.94 78.52 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.325 0.65 . . . . 0.0 109.626 178.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.4 mt -60.55 -47.47 86.05 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 117.861 0.3 . . . . 0.0 110.761 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -63.27 -40.21 96.75 Favored 'General case' 0 N--CA 1.452 -0.334 0 O-C-N 121.937 -0.477 . . . . 0.0 110.125 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.07 -44.51 84.27 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.9 mt -56.94 -59.56 4.87 Favored 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 178.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -50.77 -50.23 56.41 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 123.596 0.56 . . . . 0.0 110.588 -178.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -53.11 -45.18 68.15 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 176.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 47.1 t80 -65.17 -53.48 44.28 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 118.074 -0.965 . . . . 0.0 109.641 177.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.8 mpp? -48.66 -36.08 15.22 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 120.454 1.479 . . . . 0.0 111.722 177.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.7 t -54.93 -31.05 59.97 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 121.233 -0.917 . . . . 0.0 110.546 177.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 38.0 mmtm -96.71 29.44 2.99 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.061 1.744 . . . . 0.0 111.864 179.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 27.8 mt . . . . . 0 C--O 1.25 1.104 0 CA-C-O 117.128 -1.415 . . . . 0.0 108.589 174.635 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -47.19 -49.79 18.12 Favored Glycine 0 CA--C 1.528 0.894 0 C-N-CA 123.285 0.469 . . . . 0.0 112.102 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.22 -28.94 44.37 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.437 0.695 . . . . 0.0 112.614 179.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.04 -22.73 42.02 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-O 119.199 -0.429 . . . . 0.0 110.383 -178.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.2 mt -90.5 -29.32 17.98 Favored 'General case' 0 N--CA 1.438 -1.067 0 N-CA-C 106.042 -1.836 . . . . 0.0 106.042 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.444 ' CE1' ' SD ' ' A' ' 76' ' ' MET . 0.8 OUTLIER -69.87 -12.99 62.04 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 178.486 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -51.99 -43.89 63.82 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 121.139 -0.976 . . . . 0.0 111.21 179.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.02 -5.85 7.28 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.08 1.352 . . . . 0.0 113.428 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.2 m -113.27 -37.76 4.62 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 127.546 2.338 . . . . 0.0 110.862 -174.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -46.49 -27.84 0.85 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 C-N-CA 125.826 1.65 . . . . 0.0 110.631 178.042 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -56.21 -48.49 74.22 Favored Glycine 0 CA--C 1.538 1.515 0 O-C-N 121.263 -0.898 . . . . 0.0 111.545 176.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.8 m -88.54 -39.92 13.79 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 117.854 0.827 . . . . 0.0 110.761 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -80.41 -19.26 46.6 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 -176.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 86.54 157.46 30.19 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.353 -1.099 . . . . 0.0 110.353 -178.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -30.94 -58.73 0.22 Allowed 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 127.06 2.144 . . . . 0.0 113.9 -178.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -112.41 35.7 3.7 Favored 'General case' 0 N--CA 1.442 -0.855 0 C-N-CA 125.813 1.645 . . . . 0.0 111.836 -179.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 56.56 24.94 49.04 Favored Glycine 0 CA--C 1.532 1.094 0 N-CA-C 116.763 1.465 . . . . 0.0 116.763 177.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 59.3 m -80.18 -27.77 38.86 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 118.206 1.003 . . . . 0.0 113.57 -178.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt -71.09 134.92 47.42 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 119.259 0.936 . . . . 0.0 110.694 -178.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.71 75.91 2.69 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 105.83 -1.915 . . . . 0.0 105.83 176.157 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -29.27 120.86 0.14 Allowed 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 126.741 2.016 . . . . 0.0 114.913 -175.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 90.9 mmm 16.83 -67.8 0.0 OUTLIER 'General case' 0 C--N 1.345 0.393 1 C-N-CA 132.587 4.355 . . . . 0.0 115.615 179.182 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -52.54 -28.82 30.26 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 123.387 0.517 . . . . 0.0 111.942 178.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 33.5 m 111.03 56.92 0.0 OUTLIER 'General case' 0 CA--C 1.523 -0.07 0 C-N-CA 131.62 3.968 . . . . 0.0 106.227 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.03 148.05 50.64 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 114.028 1.121 . . . . 0.0 114.028 -177.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.11 120.2 72.74 Favored Pre-proline 0 N--CA 1.451 -0.411 0 N-CA-C 101.583 -3.488 . . . . 0.0 101.583 173.087 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_exo -30.81 108.17 0.04 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 124.369 3.379 . . . . 0.0 112.672 -177.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 41.3 t -55.81 -32.96 33.31 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 -179.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -56.73 97.4 0.02 OUTLIER 'General case' 0 C--N 1.343 0.312 0 CA-C-O 122.423 1.106 . . . . 0.0 111.396 177.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 114.57 -3.86 23.2 Favored Glycine 0 C--N 1.32 -0.345 0 CA-C-N 114.295 -1.321 . . . . 0.0 113.03 177.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -63.42 147.09 52.19 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 106.556 -1.646 . . . . 0.0 106.556 177.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -77.31 141.28 25.67 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 120.755 -1.215 . . . . 0.0 114.186 -174.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.78 -48.68 10.91 Favored 'General case' 0 C--N 1.341 0.231 0 CA-C-N 119.605 1.703 . . . . 0.0 112.169 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.3 tp10 -60.9 -43.41 98.58 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -60.59 -60.23 4.14 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 124.568 1.147 . . . . 0.0 108.348 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 40.0 mt -47.97 -50.7 26.43 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 127.025 2.13 . . . . 0.0 109.592 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -64.99 -52.21 57.46 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 123.498 0.719 . . . . 0.0 112.288 -179.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -58.14 -40.79 82.25 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-O 121.565 0.698 . . . . 0.0 109.421 -178.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -68.77 -47.03 67.23 Favored 'General case' 0 N--CA 1.438 -1.036 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.434 -178.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 55.7 mtm -64.69 -35.1 79.94 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.001 178.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -60.95 -44.72 96.88 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 106.422 -1.696 . . . . 0.0 106.422 176.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -55.72 -53.27 42.84 Favored Glycine 0 CA--C 1.529 0.937 0 CA-C-O 119.087 -0.84 . . . . 0.0 111.278 177.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.401 ' CZ ' ' CE2' ' A' ' 49' ' ' TYR . 25.0 m-85 -62.13 -47.83 82.83 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 118.722 1.261 . . . . 0.0 109.548 179.661 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.32 -45.6 54.89 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 125.653 1.581 . . . . 0.0 109.858 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -90.5 6.56 42.98 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.634 0.774 . . . . 0.0 112.258 -178.254 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 54.63 32.96 54.35 Favored Glycine 0 CA--C 1.532 1.114 0 CA-C-N 118.976 0.807 . . . . 0.0 112.249 -178.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.6 t -111.73 17.96 19.39 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.234 1.414 . . . . 0.0 111.716 -178.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.401 ' CE2' ' CZ ' ' A' ' 44' ' ' TYR . 8.7 t80 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 105.58 -2.008 . . . . 0.0 105.58 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.8 mtmt . . . . . 0 N--CA 1.432 -1.336 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.97 -48.42 45.21 Favored 'General case' 0 C--O 1.232 0.165 0 N-CA-C 106.592 -1.632 . . . . 0.0 106.592 176.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.5 mpp? -55.42 -46.84 76.65 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 177.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 38.5 mmm -52.91 -57.36 10.54 Favored 'General case' 0 CA--C 1.517 -0.325 0 C-N-CA 124.23 1.012 . . . . 0.0 110.556 178.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 97.6 m -48.89 -53.78 18.1 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 179.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -56.74 -36.33 69.63 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 122.714 0.406 . . . . 0.0 111.192 178.048 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.35 -43.76 63.59 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 123.853 0.861 . . . . 0.0 112.863 -177.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.2 m -91.12 -26.79 5.04 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 CA-C-N 119.051 0.841 . . . . 0.0 111.814 -175.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -54.16 -27.33 32.99 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 119.256 0.934 . . . . 0.0 112.386 -177.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -77.61 -1.67 32.03 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 118.927 -0.559 . . . . 0.0 112.22 178.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 18.0 m-30 -110.07 149.13 30.46 Favored 'General case' 0 N--CA 1.442 -0.856 0 C-N-CA 126.289 1.836 . . . . 0.0 107.061 178.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 92.0 p -97.96 167.18 11.06 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 126.858 2.063 . . . . 0.0 110.286 -179.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -45.08 -48.1 11.92 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.196 0.998 . . . . 0.0 113.125 -179.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -60.27 -49.36 77.93 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 121.149 0.5 . . . . 0.0 110.085 -179.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -60.31 -50.97 71.51 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 46.6 mt -54.47 -49.33 70.33 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 124.398 1.079 . . . . 0.0 110.587 179.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -57.84 -45.88 85.58 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.07 -44.55 95.47 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 179.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.0 tp -56.8 -51.24 69.7 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 123.76 0.824 . . . . 0.0 109.504 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.11 -45.31 89.21 Favored 'General case' 0 C--O 1.226 -0.159 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -50.97 -46.25 61.13 Favored 'General case' 0 C--N 1.34 0.182 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 178.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -63.2 -62.63 1.56 Allowed 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 177.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.444 ' SD ' ' CE1' ' A' ' 7' ' ' TYR . 70.6 mtm -48.47 -30.17 4.87 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.1 t -59.71 -34.44 72.92 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 121.792 -0.567 . . . . 0.0 110.439 -179.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.4 pttm -97.13 -35.52 10.77 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 176.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.134 0 C-N-CA 128.54 2.736 . . . . 0.0 110.929 178.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 . . . . . 0 CA--C 1.534 0.362 0 N-CA-C 106.562 -1.644 . . . . 0.0 106.562 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 75.61 78.12 0.68 Allowed Glycine 0 N--CA 1.441 -0.998 1 N-CA-C 101.116 -4.793 . . . . 0.0 101.116 -171.253 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 122.5 -38.58 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 130.615 3.566 . . . . 0.0 107.565 -174.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -84.79 -22.45 29.56 Favored 'General case' 0 C--N 1.346 0.45 0 C-N-CA 119.204 -0.998 . . . . 0.0 109.882 -177.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 32.7 mt -83.29 -31.71 26.76 Favored 'General case' 0 N--CA 1.44 -0.953 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -179.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -79.82 -12.93 59.74 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 115.344 1.609 . . . . 0.0 115.344 -178.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -46.38 -40.41 11.97 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -177.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.3 p -70.57 -42.14 71.47 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 122.042 0.925 . . . . 0.0 111.8 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.8 m -62.74 -36.3 82.57 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 126.692 1.997 . . . . 0.0 108.937 -176.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -48.74 -30.97 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.591 0 CA-C-N 114.449 -1.25 . . . . 0.0 110.387 178.248 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -58.81 -37.05 89.69 Favored Glycine 0 CA--C 1.532 1.154 0 CA-C-O 119.43 -0.65 . . . . 0.0 113.102 179.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.9 t -96.33 -40.84 8.93 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 118.337 1.068 . . . . 0.0 110.893 -178.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -80.09 -17.96 51.24 Favored 'General case' 0 N--CA 1.432 -1.37 0 C-N-CA 126.474 1.91 . . . . 0.0 114.562 -176.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.78 156.75 21.17 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.095 -1.202 . . . . 0.0 110.095 -179.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.25 -51.21 6.28 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.878 1.271 . . . . 0.0 112.432 -179.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -93.61 10.01 34.47 Favored 'General case' 0 N--CA 1.441 -0.895 0 C-N-CA 126.139 1.776 . . . . 0.0 113.892 -178.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 68.96 7.77 56.79 Favored Glycine 0 CA--C 1.529 0.928 0 CA-C-O 118.592 -1.115 . . . . 0.0 115.041 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.6 m -90.52 -11.2 40.89 Favored 'General case' 0 C--N 1.339 0.116 0 CA-C-N 118.902 1.351 . . . . 0.0 112.645 -178.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -71.87 118.68 15.02 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 106.154 -1.795 . . . . 0.0 106.154 179.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.98 84.03 0.32 Allowed 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 179.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -32.39 125.07 0.31 Allowed 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 128.587 2.755 . . . . 0.0 110.781 178.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 87.8 mmm 5.9 -70.98 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 129.732 3.213 . . . . 0.0 114.724 -177.277 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.74 41.98 0.86 Allowed Glycine 0 CA--C 1.537 1.461 0 CA-C-N 118.792 0.723 . . . . 0.0 112.638 178.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 34.8 m 50.24 55.67 9.1 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 127.246 2.219 . . . . 0.0 111.994 179.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.79 148.76 42.07 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 117.161 -1.816 . . . . 0.0 112.418 178.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.73 153.54 93.25 Favored Pre-proline 0 N--CA 1.445 -0.705 0 N-CA-C 103.494 -2.78 . . . . 0.0 103.494 174.173 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -52.69 114.69 1.81 Allowed 'Trans proline' 0 N--CA 1.454 -0.851 0 C-N-CA 121.438 1.425 . . . . 0.0 108.93 -179.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 52.1 t -66.36 -25.11 34.6 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 N-CA-C 107.888 -1.152 . . . . 0.0 107.888 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 51.0 tttp -43.7 86.23 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 127.451 2.3 . . . . 0.0 114.285 177.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 73.66 44.18 33.26 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-N 113.317 -1.765 . . . . 0.0 110.572 178.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -51.22 -41.91 60.61 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 179.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -179.32 -107.25 0.21 Allowed Glycine 0 CA--C 1.534 1.224 0 C-N-CA 127.862 2.648 . . . . 0.0 108.133 172.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 172.46 -58.75 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 130.929 3.692 . . . . 0.0 102.322 176.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -63.57 -42.53 98.31 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 105.374 -2.084 . . . . 0.0 105.374 172.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -55.03 -67.0 0.31 Allowed 'General case' 0 C--N 1.342 0.281 0 C-N-CA 124.895 1.278 . . . . 0.0 108.529 177.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 39.0 mt -44.7 -49.2 10.58 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 126.154 1.781 . . . . 0.0 110.725 179.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -63.76 -52.27 61.14 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 123.639 0.776 . . . . 0.0 112.101 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -58.34 -41.48 84.71 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 -178.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -66.48 -49.68 65.8 Favored 'General case' 0 N--CA 1.438 -1.043 0 C-N-CA 123.382 0.673 . . . . 0.0 110.669 -178.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 61.3 mtm -64.1 -39.83 94.9 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-O 118.163 -0.922 . . . . 0.0 110.161 178.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -58.9 -43.19 90.97 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 106.76 -1.57 . . . . 0.0 106.76 176.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.01 -55.97 18.74 Favored Glycine 0 CA--C 1.528 0.856 0 N-CA-C 109.775 -1.33 . . . . 0.0 109.775 176.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -63.66 -47.03 82.91 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 118.683 1.241 . . . . 0.0 110.856 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -46.41 -50.47 16.64 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 126.177 1.791 . . . . 0.0 109.694 -179.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -92.05 14.02 17.12 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.631 1.173 . . . . 0.0 112.745 -178.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 52.17 33.52 38.13 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 124.6 1.095 . . . . 0.0 113.53 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.0 t -115.32 29.42 8.02 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.95 1.7 . . . . 0.0 111.641 -178.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 56.4 t80 . . . . . 0 C--O 1.232 0.134 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 178.81 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.168 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.76 -58.24 8.15 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 118.633 0.651 . . . . 0.0 109.744 -178.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.15 -48.64 78.21 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 178.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.2 mmm -54.36 -50.51 67.28 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 81.7 m -58.01 -48.87 78.75 Favored 'General case' 0 N--CA 1.452 -0.343 0 O-C-N 121.424 -0.797 . . . . 0.0 109.218 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -58.31 -37.09 74.37 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 178.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.19 -46.17 85.11 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 123.764 0.826 . . . . 0.0 112.219 -179.175 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.4 m -96.53 -26.2 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -174.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -57.66 -24.15 55.11 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 119.849 1.204 . . . . 0.0 112.314 -176.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.9 pttp -74.74 -2.17 25.24 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 119.089 -0.481 . . . . 0.0 111.508 177.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -113.23 147.84 36.71 Favored 'General case' 0 N--CA 1.439 -1.002 0 C-N-CA 126.299 1.839 . . . . 0.0 108.311 179.107 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 91.2 p -97.92 167.31 10.99 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 127.558 2.343 . . . . 0.0 110.193 -179.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -40.69 -50.41 3.08 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.723 1.209 . . . . 0.0 113.485 -179.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -63.0 -47.2 84.17 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 121.055 0.455 . . . . 0.0 110.618 -178.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -61.28 -44.82 96.59 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 45.5 mt -59.83 -45.76 91.36 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.638 0.775 . . . . 0.0 109.411 178.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -60.57 -45.01 95.53 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.689 -0.632 . . . . 0.0 109.599 178.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.01 -45.32 95.31 Favored 'General case' 0 CA--C 1.521 -0.152 0 C-N-CA 123.497 0.719 . . . . 0.0 109.171 179.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.5 mt -58.94 -51.62 69.26 Favored 'General case' 0 N--CA 1.442 -0.845 0 O-C-N 122.303 -0.248 . . . . 0.0 111.039 178.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.0 -48.7 80.63 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 -178.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -53.06 -45.64 68.18 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 176.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 55.0 t80 -60.35 -59.85 4.75 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 178.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 56.7 mtm -49.34 -32.72 11.83 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.417 0.687 . . . . 0.0 112.543 177.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.1 t -56.96 -34.02 67.63 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 121.255 -0.903 . . . . 0.0 110.508 177.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? -113.59 44.78 1.53 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.11 1.364 . . . . 0.0 108.71 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 27.2 tp . . . . . 0 C--O 1.25 1.089 0 C-N-CA 125.19 1.396 . . . . 0.0 110.524 178.566 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.4 t70 . . . . . 0 CA--C 1.529 0.167 0 CA-C-O 120.598 0.237 . . . . 0.0 111.236 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.52 -60.45 7.81 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 109.899 -1.281 . . . . 0.0 109.899 179.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -48.0 -46.78 33.23 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 117.522 0.661 . . . . 0.0 111.274 -179.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.53 -38.62 69.49 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-O 119.47 -0.3 . . . . 0.0 111.803 -179.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 67.5 mt -75.69 -50.99 13.74 Favored 'General case' 0 N--CA 1.435 -1.203 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 178.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -57.12 -22.6 41.12 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 -178.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -49.21 -34.86 15.73 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 119.232 0.924 . . . . 0.0 111.34 177.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.5 p -66.75 -34.48 77.92 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 121.453 -0.779 . . . . 0.0 112.518 179.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.7 m -76.87 -35.64 57.3 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 127.619 2.368 . . . . 0.0 109.875 -175.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -45.44 -32.37 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 C-N-CA 125.412 1.485 . . . . 0.0 111.397 179.475 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -53.93 -49.19 59.71 Favored Glycine 0 CA--C 1.533 1.159 0 N-CA-C 111.643 -0.583 . . . . 0.0 111.643 178.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.5 m -86.36 -42.64 13.5 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 117.585 0.692 . . . . 0.0 109.76 179.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 81.7 m-70 -66.92 -21.34 65.99 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -176.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 71.22 107.86 0.05 OUTLIER Glycine 0 CA--C 1.527 0.815 0 N-CA-C 115.795 1.078 . . . . 0.0 115.795 175.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 62.73 -65.0 0.1 Allowed 'General case' 0 C--N 1.342 0.27 0 C-N-CA 128.064 2.546 . . . . 0.0 111.74 177.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.6 p30 -127.3 -78.65 0.58 Allowed 'General case' 0 N--CA 1.421 -1.889 0 C-N-CA 129.442 3.097 . . . . 0.0 105.97 178.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -162.23 39.14 0.37 Allowed Glycine 0 CA--C 1.52 0.364 0 N-CA-C 107.364 -2.294 . . . . 0.0 107.364 178.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 79.2 p -86.74 -37.62 17.73 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.983 0.913 . . . . 0.0 112.288 -177.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -77.71 131.98 37.94 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 -179.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.09 78.22 1.73 Allowed 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 106.837 -1.542 . . . . 0.0 106.837 178.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -23.63 67.15 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 131.218 3.807 . . . . 0.0 120.457 -173.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 82.7 mmm 66.46 -54.15 0.42 Allowed 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 127.016 2.126 . . . . 0.0 112.327 176.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -92.06 35.72 3.91 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 109.607 -1.397 . . . . 0.0 109.607 177.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.0 m 52.5 49.85 19.53 Favored 'General case' 0 N--CA 1.445 -0.675 0 C-N-CA 124.775 1.23 . . . . 0.0 110.648 179.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.01 126.75 29.0 Favored 'General case' 0 C--N 1.345 0.385 0 C-N-CA 118.261 -1.376 . . . . 0.0 112.934 -178.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.71 126.22 82.31 Favored Pre-proline 0 CA--C 1.537 0.466 0 N-CA-C 102.884 -3.006 . . . . 0.0 102.884 174.166 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_endo -31.78 106.12 0.03 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 124.866 3.71 . . . . 0.0 114.014 -172.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 76.6 t -57.91 -30.27 37.89 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 178.048 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -47.14 89.67 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 127.021 2.128 . . . . 0.0 113.932 176.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 79.57 39.31 18.41 Favored Glycine 0 N--CA 1.444 -0.833 0 CA-C-N 112.083 -2.326 . . . . 0.0 111.296 177.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -57.43 -46.84 83.12 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 179.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 143.87 126.16 1.95 Allowed Glycine 0 C--O 1.213 -1.162 0 C-N-CA 127.044 2.259 . . . . 0.0 109.108 175.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.06 -51.16 18.26 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 122.077 2.938 . . . . 0.0 112.141 -178.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.3 tp10 -58.51 -45.86 87.92 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 179.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -56.8 -65.17 0.66 Allowed 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 124.832 1.253 . . . . 0.0 109.089 179.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 mt -51.47 -43.19 62.07 Favored 'General case' 0 N--CA 1.44 -0.927 0 C-N-CA 125.622 1.569 . . . . 0.0 111.096 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -67.11 -45.36 77.45 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 118.725 0.693 . . . . 0.0 110.873 -178.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -64.88 -41.88 95.26 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 -178.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -67.03 -50.38 62.21 Favored 'General case' 0 N--CA 1.441 -0.915 0 C-N-CA 123.323 0.649 . . . . 0.0 111.187 -178.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -65.27 -39.5 92.68 Favored 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 -179.243 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -60.64 -44.88 95.88 Favored 'General case' 0 C--N 1.34 0.16 0 N-CA-C 106.852 -1.536 . . . . 0.0 106.852 175.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -53.13 -50.18 52.8 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.362 -1.095 . . . . 0.0 110.362 177.102 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -64.94 -42.55 94.55 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 119.061 1.431 . . . . 0.0 109.672 178.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.88 -44.56 59.8 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.171 0.988 . . . . 0.0 109.824 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.6 p30 -99.03 10.94 40.44 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.45 0.7 . . . . 0.0 112.667 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.84 20.89 60.33 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 124.86 1.219 . . . . 0.0 115.578 179.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.4 t -104.89 36.47 2.44 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 119.616 1.708 . . . . 0.0 111.683 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 31.3 t80 . . . . . 0 CA--C 1.528 0.107 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 178.261 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt . . . . . 0 N--CA 1.439 -0.984 0 N-CA-C 112.659 0.614 . . . . 0.0 112.659 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.55 -53.64 39.24 Favored 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 123.258 0.623 . . . . 0.0 110.131 -179.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 89.2 mmm -57.49 -44.49 85.0 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 179.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.9 mmm -55.98 -61.0 2.67 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.676 178.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 85.9 m -48.11 -46.38 33.96 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.864 1.266 . . . . 0.0 109.513 177.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -43.28 88.73 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 118.339 0.518 . . . . 0.0 110.482 178.088 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.49 -31.06 66.7 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.0 0.52 . . . . 0.0 112.185 -178.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 53.3 t -89.95 -47.94 14.58 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 N-CA-C 116.88 2.178 . . . . 0.0 116.88 -174.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -48.42 -29.95 4.57 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 -174.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -65.59 -19.43 65.91 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -79.75 -169.81 2.12 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-O 123.961 1.839 . . . . 0.0 110.643 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 51.3 m -152.72 158.41 42.28 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 127.597 2.359 . . . . 0.0 107.575 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -34.04 -51.84 0.43 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 126.262 1.825 . . . . 0.0 114.244 -176.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.32 -52.14 66.92 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.231 0.539 . . . . 0.0 109.865 -179.5 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -58.25 -46.45 85.96 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 123.671 0.788 . . . . 0.0 109.375 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 48.2 mt -58.13 -48.0 81.56 Favored 'General case' 0 N--CA 1.457 -0.087 0 C-N-CA 122.698 0.399 . . . . 0.0 110.535 178.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -60.97 -44.03 97.92 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 122.911 0.485 . . . . 0.0 109.739 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.94 -44.24 93.43 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 11.4 mt -59.35 -60.81 3.26 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-O 118.499 -0.762 . . . . 0.0 109.485 178.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.39 -42.12 73.57 Favored 'General case' 0 C--O 1.226 -0.162 0 CA-C-N 118.751 0.705 . . . . 0.0 110.493 -178.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -53.59 -49.75 67.11 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 178.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -62.39 -58.74 6.57 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 177.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.9 mtp -50.13 -29.38 8.99 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 114.065 1.135 . . . . 0.0 114.065 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.1 t -65.06 -29.68 70.59 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 120.832 -1.168 . . . . 0.0 110.75 178.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.7 pttm -114.95 38.73 3.07 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.606 1.562 . . . . 0.0 109.81 178.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.4 tp . . . . . 0 C--O 1.249 1.078 0 C-N-CA 126.836 2.055 . . . . 0.0 111.048 179.97 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.5 t70 . . . . . 0 CA--C 1.532 0.284 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.18 -51.87 55.91 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.771 -0.932 . . . . 0.0 110.771 178.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.47 -44.52 69.02 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 118.209 1.004 . . . . 0.0 110.791 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.35 -50.49 71.39 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 119.624 -0.227 . . . . 0.0 110.615 179.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 46.5 mt -57.32 -45.39 84.29 Favored 'General case' 0 N--CA 1.439 -0.986 0 CA-C-N 118.577 0.626 . . . . 0.0 110.036 -179.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -61.33 -13.2 17.56 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 114.135 1.161 . . . . 0.0 114.135 -177.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 61.3 mttm -56.49 -34.03 66.56 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 120.938 -1.101 . . . . 0.0 110.499 177.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.0 p -68.99 -6.64 29.06 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 179.201 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.6 m -109.63 -38.3 5.45 Favored 'General case' 0 CA--C 1.516 -0.346 0 C-N-CA 126.491 1.916 . . . . 0.0 110.818 -174.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.1 mp -45.93 -31.11 1.16 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 C-N-CA 125.187 1.395 . . . . 0.0 111.173 178.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -52.31 -42.85 56.9 Favored Glycine 0 CA--C 1.536 1.358 0 CA-C-N 118.677 0.671 . . . . 0.0 111.916 177.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.2 m -96.59 -46.35 6.36 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 117.736 0.768 . . . . 0.0 109.967 179.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -63.81 -25.0 67.98 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.882 0.873 . . . . 0.0 112.872 -177.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 70.76 107.52 0.04 OUTLIER Glycine 0 CA--C 1.526 0.747 0 C-N-CA 123.983 0.801 . . . . 0.0 115.056 176.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 58.94 -67.35 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 127.801 2.44 . . . . 0.0 113.442 177.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -157.39 68.54 0.54 Allowed 'General case' 0 N--CA 1.438 -1.028 0 C-N-CA 127.151 2.18 . . . . 0.0 107.289 179.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 56.04 28.16 53.0 Favored Glycine 0 CA--C 1.526 0.765 0 C-N-CA 123.976 0.798 . . . . 0.0 113.938 179.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 89.2 p -76.19 -29.58 57.7 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 118.132 0.966 . . . . 0.0 111.016 -179.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -94.52 132.53 39.1 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 121.126 0.489 . . . . 0.0 110.473 -178.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.44 82.07 1.44 Allowed 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 104.791 -2.3 . . . . 0.0 104.791 175.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -37.35 130.36 0.94 Allowed 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 115.117 1.525 . . . . 0.0 115.117 -175.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 22.2 mmt 14.91 -49.74 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.648 1 C-N-CA 134.554 5.142 . . . . 0.0 118.239 178.252 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.01 -28.5 70.37 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 176.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.0 m 109.86 53.8 0.0 OUTLIER 'General case' 0 N--CA 1.455 -0.175 1 C-N-CA 132.019 4.128 . . . . 0.0 104.224 -177.279 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.22 138.77 37.82 Favored 'General case' 0 N--CA 1.444 -0.755 0 N-CA-C 115.228 1.566 . . . . 0.0 115.228 -175.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.7 mtmm -60.48 117.52 25.42 Favored Pre-proline 0 N--CA 1.449 -0.478 0 N-CA-C 102.16 -3.274 . . . . 0.0 102.16 173.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -32.73 104.34 0.03 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.732 0 C-N-CA 123.97 3.113 . . . . 0.0 113.011 -176.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.9 t -54.99 -33.03 27.97 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.732 0 N-CA-C 107.053 -1.462 . . . . 0.0 107.053 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.5 tttp -58.55 80.36 0.01 OUTLIER 'General case' 0 C--N 1.344 0.36 0 C-N-CA 127.497 2.319 . . . . 0.0 111.522 176.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 131.84 -6.33 5.47 Favored Glycine 0 CA--C 1.521 0.447 0 CA-C-N 114.356 -1.293 . . . . 0.0 113.205 177.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -64.45 147.92 51.66 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 119.07 1.435 . . . . 0.0 107.441 178.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -40.07 -101.99 0.01 OUTLIER Glycine 0 CA--C 1.541 1.697 0 N-CA-C 118.983 2.353 . . . . 0.0 118.983 -174.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 177.68 -60.83 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 128.539 2.735 . . . . 0.0 105.481 179.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -59.92 -38.62 82.87 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 107.14 -1.43 . . . . 0.0 107.14 175.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -56.79 -65.19 0.66 Allowed 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 126.627 1.971 . . . . 0.0 107.936 177.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 19.5 mt -46.42 -49.31 18.28 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 125.997 1.719 . . . . 0.0 109.954 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -62.23 -52.94 61.74 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 125.275 1.43 . . . . 0.0 112.532 -179.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.9 mttp -59.19 -41.82 89.41 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-N 118.77 0.714 . . . . 0.0 109.433 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -67.29 -44.72 78.56 Favored 'General case' 0 N--CA 1.438 -1.036 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.991 -178.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 57.2 mtm -64.08 -40.76 96.96 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-O 118.518 -0.753 . . . . 0.0 109.334 177.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -58.46 -44.0 89.11 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 177.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.63 -40.59 94.89 Favored Glycine 0 CA--C 1.532 1.142 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 177.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -75.85 -32.96 59.98 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 119.029 1.414 . . . . 0.0 111.265 178.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.14 -50.47 20.24 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 125.417 1.487 . . . . 0.0 108.581 -179.291 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -89.23 -40.11 13.07 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 122.919 0.487 . . . . 0.0 109.73 177.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 116.02 14.64 7.71 Favored Glycine 0 CA--C 1.532 1.148 0 C-N-CA 124.967 1.27 . . . . 0.0 112.71 179.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.2 t -75.0 -23.54 58.25 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 118.417 1.109 . . . . 0.0 110.986 179.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 33.7 t80 . . . . . 0 N--CA 1.464 0.252 0 N-CA-C 107.133 -1.432 . . . . 0.0 107.133 177.544 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt . . . . . 0 C--O 1.222 -0.372 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.13 -48.47 79.99 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 118.302 0.501 . . . . 0.0 110.674 -179.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -61.71 -43.33 99.06 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 179.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 31.5 mmm -58.08 -59.56 5.09 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 109.641 -0.504 . . . . 0.0 109.641 178.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 30.8 m -48.9 -46.6 43.01 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.278 1.031 . . . . 0.0 109.532 176.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -58.81 -42.37 88.99 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 118.886 0.766 . . . . 0.0 110.927 178.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.35 -30.86 65.11 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -179.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 76.1 t -90.73 -43.46 14.4 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 N-CA-C 115.433 1.642 . . . . 0.0 115.433 -174.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -51.44 -28.83 14.11 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.366 1.066 . . . . 0.0 113.003 -176.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -64.8 -22.01 66.9 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 178.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -88.64 -168.95 2.36 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-O 123.37 1.557 . . . . 0.0 110.678 -179.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 25.2 m -159.56 160.48 34.51 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 127.473 2.309 . . . . 0.0 107.825 -177.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -27.53 -54.83 0.09 Allowed 'General case' 0 C--O 1.225 -0.187 0 C-N-CA 126.702 2.001 . . . . 0.0 115.234 -177.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.05 -52.94 62.82 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-O 121.395 0.616 . . . . 0.0 110.009 -178.036 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -59.12 -47.58 84.76 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 123.866 0.866 . . . . 0.0 109.869 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 62.5 mt -60.3 -47.29 86.64 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.2 0.6 . . . . 0.0 110.703 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -61.81 -45.61 93.08 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 179.244 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.45 -44.46 97.08 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 -179.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.6 mt -57.14 -60.32 3.79 Favored 'General case' 0 N--CA 1.442 -0.834 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 178.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.62 -46.65 63.7 Favored 'General case' 0 N--CA 1.453 -0.298 0 O-C-N 123.042 0.214 . . . . 0.0 110.978 -178.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -54.43 -41.28 69.17 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 176.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -67.43 -55.88 11.89 Favored 'General case' 0 C--N 1.34 0.171 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 176.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.7 mpp? -50.78 -30.91 15.35 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 119.074 0.852 . . . . 0.0 112.577 178.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.5 t -55.48 -30.75 61.18 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 120.65 -1.281 . . . . 0.0 111.516 177.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 44.3 mttp -103.67 28.81 6.23 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.972 1.309 . . . . 0.0 110.324 -179.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 14.4 tp . . . . . 0 C--O 1.25 1.08 0 C-N-CA 124.963 1.305 . . . . 0.0 110.636 -178.327 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 CA--C 1.53 0.196 0 N-CA-C 111.442 0.164 . . . . 0.0 111.442 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -48.11 -52.01 18.5 Favored Glycine 0 CA--C 1.524 0.598 0 C-N-CA 123.83 0.728 . . . . 0.0 111.474 -179.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.43 -30.59 41.29 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 113.124 0.786 . . . . 0.0 113.124 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -84.11 -16.38 43.87 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 118.417 0.553 . . . . 0.0 110.906 -178.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 78.0 mt -91.53 -49.23 6.42 Favored 'General case' 0 N--CA 1.438 -1.038 0 N-CA-C 106.59 -1.633 . . . . 0.0 106.59 177.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -62.08 -17.89 58.96 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 114.387 1.255 . . . . 0.0 114.387 -177.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.4 pttm -52.41 -35.36 51.67 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 119.356 0.98 . . . . 0.0 110.407 177.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.67 -10.11 59.41 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.679 1.592 . . . . 0.0 112.962 -178.789 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.3 m -107.6 -33.68 7.24 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 127.728 2.411 . . . . 0.0 110.144 -177.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -45.92 -30.3 1.04 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 126.096 1.759 . . . . 0.0 110.301 177.591 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -56.13 -44.93 88.61 Favored Glycine 0 CA--C 1.537 1.433 0 O-C-N 121.446 -0.784 . . . . 0.0 111.843 177.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.3 m -90.68 -39.11 12.64 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 117.859 0.83 . . . . 0.0 110.669 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 -83.88 -16.46 44.29 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 115.565 1.691 . . . . 0.0 115.565 -175.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.86 156.05 26.72 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 110.36 -1.096 . . . . 0.0 110.36 -178.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -29.37 -61.94 0.13 Allowed 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 127.429 2.292 . . . . 0.0 114.129 -178.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.8 p-10 -111.31 47.83 0.98 Allowed 'General case' 0 N--CA 1.431 -1.376 0 C-N-CA 127.285 2.234 . . . . 0.0 109.31 -179.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 38.07 31.05 0.09 OUTLIER Glycine 0 CA--C 1.532 1.13 0 C-N-CA 126.863 2.173 . . . . 0.0 115.437 179.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.8 p -82.39 -26.16 33.09 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 127.168 2.187 . . . . 0.0 113.335 -178.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.5 ttmm -72.7 130.41 40.46 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 121.245 0.545 . . . . 0.0 110.594 -177.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.43 80.47 1.91 Allowed 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 104.999 -2.223 . . . . 0.0 104.999 175.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -40.3 133.55 1.8 Allowed 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 115.067 1.506 . . . . 0.0 115.067 -175.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.4 mmt 20.31 -75.2 0.0 OUTLIER 'General case' 0 C--N 1.342 0.282 1 C-N-CA 131.781 4.033 . . . . 0.0 115.723 179.089 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -52.73 -36.61 49.61 Favored Glycine 0 CA--C 1.528 0.89 0 N-CA-C 111.611 -0.595 . . . . 0.0 111.611 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 73.6 m 122.18 57.36 0.0 OUTLIER 'General case' 0 CA--C 1.528 0.105 1 C-N-CA 131.933 4.093 . . . . 0.0 106.348 -179.276 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.19 145.94 16.26 Favored 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 114.743 1.386 . . . . 0.0 114.743 -177.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -65.8 115.05 19.0 Favored Pre-proline 0 N--CA 1.447 -0.619 0 N-CA-C 100.395 -3.928 . . . . 0.0 100.395 172.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -34.1 119.64 0.12 Allowed 'Trans proline' 0 N--CA 1.456 -0.716 0 C-N-CA 123.469 2.78 . . . . 0.0 112.416 -175.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.7 t -57.09 -46.13 84.34 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 N-CA-C 105.231 -2.137 . . . . 0.0 105.231 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.1 tttp -51.21 113.78 1.03 Allowed 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 123.844 0.858 . . . . 0.0 110.917 173.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 113.53 -24.24 12.51 Favored Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 109.979 -1.249 . . . . 0.0 109.979 178.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -66.46 142.13 57.67 Favored 'General case' 0 N--CA 1.437 -1.104 0 N-CA-C 106.85 -1.537 . . . . 0.0 106.85 178.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -84.15 148.05 24.01 Favored Glycine 0 CA--C 1.526 0.759 0 CA-C-O 118.953 -0.915 . . . . 0.0 112.655 -176.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.48 -49.26 13.74 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-N 119.329 1.565 . . . . 0.0 112.291 -179.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.9 tp10 -59.9 -41.68 92.17 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 120.869 0.366 . . . . 0.0 110.048 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -60.97 -61.86 2.27 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 125.374 1.47 . . . . 0.0 108.295 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 34.7 mt -48.63 -45.96 39.16 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 126.874 2.07 . . . . 0.0 110.003 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -70.03 -47.49 61.88 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 123.641 0.776 . . . . 0.0 111.891 -178.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -60.21 -42.0 94.24 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 179.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -65.27 -52.3 55.23 Favored 'General case' 0 N--CA 1.436 -1.15 0 C-N-CA 123.517 0.727 . . . . 0.0 110.057 -179.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 43.6 mtm -60.57 -42.63 97.06 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 118.732 -0.651 . . . . 0.0 110.368 178.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.2 ttpm? -56.76 -44.03 81.36 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 178.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -60.85 -48.17 87.61 Favored Glycine 0 CA--C 1.529 0.952 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 176.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -63.85 -33.06 74.83 Favored 'General case' 0 C--N 1.342 0.249 0 CA-C-N 118.947 1.373 . . . . 0.0 110.634 179.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.12 -44.41 71.29 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.907 1.283 . . . . 0.0 107.767 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -88.64 -35.69 16.68 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 119.444 -0.312 . . . . 0.0 110.892 179.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 118.3 -2.56 16.28 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 125.588 1.566 . . . . 0.0 115.138 178.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 59.6 p -67.52 -58.71 4.23 Favored 'General case' 0 N--CA 1.431 -1.417 0 CA-C-N 120.071 1.936 . . . . 0.0 112.522 -178.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 36.4 t80 . . . . . 0 CA--C 1.53 0.188 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 179.948 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt . . . . . 0 C--O 1.223 -0.326 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.95 -49.19 78.67 Favored 'General case' 0 N--CA 1.456 -0.146 0 O-C-N 122.109 -0.369 . . . . 0.0 110.648 -178.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -60.37 -42.69 96.34 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 179.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.0 mmm -58.45 -60.49 3.71 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.765 178.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 31.3 m -47.43 -46.87 26.83 Favored 'General case' 0 C--O 1.224 -0.253 0 C-N-CA 124.337 1.055 . . . . 0.0 109.109 176.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -56.25 -36.58 68.69 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 118.447 0.567 . . . . 0.0 111.432 178.258 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -81.41 -35.18 31.02 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 118.476 0.58 . . . . 0.0 112.33 -178.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 77.1 t -82.72 -49.08 17.37 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 C-N-CA 127.295 2.238 . . . . 0.0 114.729 -176.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -63.69 71.93 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 126.752 2.021 . . . . 0.0 112.027 -176.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -173.46 -37.32 0.01 OUTLIER 'General case' 0 N--CA 1.44 -0.952 0 C-N-CA 128.924 2.89 . . . . 0.0 108.356 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -74.8 142.77 44.21 Favored 'General case' 0 N--CA 1.434 -1.256 0 CA-C-O 122.909 1.337 . . . . 0.0 109.219 179.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 63.4 p -78.39 167.78 20.82 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 112.466 -2.152 . . . . 0.0 108.658 177.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -55.47 -37.72 68.13 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 122.708 0.403 . . . . 0.0 110.21 177.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -65.6 -55.85 15.41 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.714 1.206 . . . . 0.0 109.311 178.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -56.05 -46.53 78.89 Favored 'General case' 0 CA--C 1.531 0.234 0 O-C-N 122.161 -0.337 . . . . 0.0 110.273 179.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 28.2 mt -58.64 -46.77 86.38 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.189 0.595 . . . . 0.0 109.53 178.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -60.63 -43.77 97.12 Favored 'General case' 0 CA--C 1.53 0.188 0 O-C-N 121.961 -0.462 . . . . 0.0 109.978 179.144 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.59 -44.11 97.13 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 -179.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.3 mt -59.9 -52.12 66.77 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 178.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.6 -43.14 89.44 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 -179.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -55.02 -51.04 67.52 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 178.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -59.32 -57.07 14.6 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 119.086 -0.483 . . . . 0.0 110.017 179.019 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 58.9 mtm -49.14 -39.91 30.6 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 118.992 0.815 . . . . 0.0 112.163 177.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.9 t -64.24 -8.56 13.04 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 117.938 -1.03 . . . . 0.0 113.254 -179.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -86.39 -13.3 46.75 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 119.523 1.056 . . . . 0.0 110.175 177.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.2 mp . . . . . 0 C--O 1.249 1.063 0 CA-C-O 117.657 -1.164 . . . . 0.0 109.297 178.089 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 CA--C 1.533 0.323 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -52.81 -56.01 20.52 Favored Glycine 0 C--N 1.337 0.589 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.502 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -50.16 -46.59 54.27 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 117.457 0.629 . . . . 0.0 111.351 179.758 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.23 -48.56 81.23 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 119.483 -0.294 . . . . 0.0 110.611 -179.341 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.4 mt -61.82 -47.83 83.31 Favored 'General case' 0 N--CA 1.44 -0.959 0 CA-C-N 118.54 0.609 . . . . 0.0 109.379 179.732 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -57.26 -19.4 21.33 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 113.944 1.09 . . . . 0.0 113.944 -177.879 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.6 mtpt -50.33 -41.11 50.76 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 119.663 1.119 . . . . 0.0 110.954 177.878 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.2 p -63.67 -29.45 70.68 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -179.84 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.4 m -85.39 -36.05 20.95 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 126.884 2.073 . . . . 0.0 109.903 -175.821 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -46.83 -32.94 1.97 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 C-N-CA 125.907 1.683 . . . . 0.0 110.692 179.512 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -53.87 -41.08 66.52 Favored Glycine 0 CA--C 1.534 1.276 0 O-C-N 121.911 -0.493 . . . . 0.0 112.139 178.183 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.8 m -96.58 -47.51 5.9 Favored 'General case' 0 N--CA 1.463 0.175 0 C-N-CA 123.663 0.785 . . . . 0.0 110.138 179.476 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 87.5 m-70 -70.4 -13.47 62.15 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 124.503 1.121 . . . . 0.0 114.002 -177.09 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 78.69 165.15 27.84 Favored Glycine 0 N--CA 1.446 -0.691 0 CA-C-O 122.221 0.901 . . . . 0.0 112.279 179.065 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.22 101.84 0.06 Allowed 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 114.158 -1.021 . . . . 0.0 110.812 -179.496 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.9 t70 78.77 37.77 0.15 Allowed 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 127.111 2.164 . . . . 0.0 110.116 176.73 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 60.12 20.48 54.21 Favored Glycine 0 CA--C 1.527 0.813 0 C-N-CA 124.241 0.924 . . . . 0.0 114.529 178.214 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.0 m -71.4 -25.04 62.18 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 -177.569 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 41.5 tttp -90.79 140.87 29.38 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 122.282 1.039 . . . . 0.0 112.224 -177.456 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.81 88.97 1.8 Allowed 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 103.568 -2.753 . . . . 0.0 103.568 173.439 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -42.63 132.84 3.59 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 -175.567 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 26.0 mmt 16.93 -77.66 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 131.19 3.796 . . . . 0.0 115.593 179.423 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -49.08 -35.53 19.09 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 123.6 0.619 . . . . 0.0 111.99 179.784 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 68.6 m 120.15 59.39 0.0 OUTLIER 'General case' 0 N--CA 1.457 -0.098 1 C-N-CA 132.532 4.333 . . . . 0.0 106.895 179.379 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.3 152.22 17.92 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 -178.901 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.1 mtmm -64.88 118.09 45.36 Favored Pre-proline 0 N--CA 1.45 -0.474 0 N-CA-C 100.594 -3.854 . . . . 0.0 100.594 171.514 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -33.48 110.62 0.05 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 123.715 2.943 . . . . 0.0 111.406 -176.805 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 42.5 t -54.51 -39.51 45.72 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 N-CA-C 106.329 -1.73 . . . . 0.0 106.329 -178.376 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.6 tttp -59.62 94.51 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 122.251 1.024 . . . . 0.0 109.534 173.554 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 138.25 -32.4 2.34 Favored Glycine 0 N--CA 1.444 -0.803 0 CA-C-N 113.825 -1.534 . . . . 0.0 112.173 179.044 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . 0.274 0.6 OUTLIER -69.77 148.21 49.46 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 119.589 1.694 . . . . 0.0 110.092 -178.851 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -86.96 150.22 22.81 Favored Glycine 0 CA--C 1.526 0.753 0 C-N-CA 124.559 1.076 . . . . 0.0 115.122 -174.178 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -46.08 -50.66 14.98 Favored 'General case' 0 CA--C 1.515 -0.382 0 C-N-CA 127.303 2.241 . . . . 0.0 112.495 -178.084 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -56.22 -47.82 77.66 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 -179.684 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -59.59 -60.66 3.49 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 124.086 0.954 . . . . 0.0 108.587 179.687 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 15.7 mt -50.97 -42.94 60.38 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 125.324 1.449 . . . . 0.0 112.087 -179.232 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -72.18 -44.13 63.48 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 123.732 0.813 . . . . 0.0 110.637 -178.58 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -61.8 -42.23 98.74 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 -179.517 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -69.85 -44.9 68.94 Favored 'General case' 0 N--CA 1.436 -1.175 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.532 -178.366 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 56.7 mtm -65.36 -40.62 93.81 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 118.929 0.786 . . . . 0.0 109.871 177.389 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -58.84 -39.33 80.93 Favored 'General case' 0 CA--C 1.528 0.115 0 N-CA-C 107.011 -1.477 . . . . 0.0 107.011 176.776 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.78 -64.18 4.6 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 109.057 -1.617 . . . . 0.0 109.057 176.073 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -55.1 -36.06 65.29 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 118.132 0.966 . . . . 0.0 112.127 -179.19 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -48.64 -41.77 32.21 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.813 1.245 . . . . 0.0 109.097 179.376 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -114.04 25.52 11.07 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.575 1.15 . . . . 0.0 111.134 179.538 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 50.95 27.14 12.68 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 125.043 1.306 . . . . 0.0 113.988 -179.836 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 33.9 t -100.7 32.12 3.25 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.684 1.594 . . . . 0.0 111.719 -178.151 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 35.2 t80 . . . . . 0 C--O 1.232 0.172 0 N-CA-C 105.931 -1.878 . . . . 0.0 105.931 177.139 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? . . . . . 0 CA--C 1.535 0.377 0 N-CA-C 111.675 0.25 . . . . 0.0 111.675 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.81 -50.68 67.98 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.664 1.186 . . . . 0.0 110.707 -179.124 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -44.0 95.03 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 178.828 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 20.4 mmm -56.42 -58.76 6.64 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.375 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 92.8 m -47.82 -43.66 28.18 Favored 'General case' 0 C--O 1.222 -0.36 0 C-N-CA 125.257 1.423 . . . . 0.0 109.32 176.114 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -63.59 -40.09 96.05 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 119.116 0.871 . . . . 0.0 110.542 179.039 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.8 -33.17 68.34 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.096 0.558 . . . . 0.0 112.014 -179.571 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 73.3 t -87.33 -48.96 15.09 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 C-N-CA 126.674 1.99 . . . . 0.0 114.618 -176.065 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.8 ttpp -68.89 70.12 0.19 Allowed 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 126.25 1.82 . . . . 0.0 111.134 -177.466 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.9 ptmm? -167.16 -30.69 0.02 OUTLIER 'General case' 0 N--CA 1.441 -0.885 0 C-N-CA 130.197 3.399 . . . . 0.0 107.866 179.787 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -76.04 -169.13 1.05 Allowed 'General case' 0 N--CA 1.44 -0.958 0 CA-C-O 123.935 1.826 . . . . 0.0 109.107 176.367 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.9 m -153.02 162.27 41.53 Favored 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 128.232 2.613 . . . . 0.0 106.924 179.274 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -33.09 -52.36 0.34 Allowed 'General case' 0 C--O 1.226 -0.171 0 C-N-CA 125.753 1.621 . . . . 0.0 114.217 -177.724 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -60.39 -50.96 71.53 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-O 120.774 0.321 . . . . 0.0 110.561 -178.023 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.2 mp0 -61.05 -46.26 91.41 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.327 0.651 . . . . 0.0 109.532 178.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 57.1 mt -59.12 -48.81 80.25 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-N 118.185 0.448 . . . . 0.0 110.339 179.806 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 24.4 ttpp -61.45 -41.89 97.91 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 123.621 0.768 . . . . 0.0 109.909 179.56 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.1 -46.21 82.0 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 -179.468 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.8 mt -58.44 -59.23 5.69 Favored 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 178.635 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.38 -39.9 67.64 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 118.763 -0.637 . . . . 0.0 110.318 -178.234 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -57.87 -49.49 76.53 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 177.476 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -59.97 -60.02 4.5 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 178.169 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.3 mpp? -50.1 -35.16 24.43 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.258 -0.901 . . . . 0.0 113.228 178.297 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.2 t -69.76 -20.81 63.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 117.322 -1.323 . . . . 0.0 113.144 -179.927 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -90.61 3.38 54.27 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 119.99 1.268 . . . . 0.0 110.376 178.209 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 84.0 mt . . . . . 0 C--O 1.251 1.16 0 CA-C-O 117.215 -1.374 . . . . 0.0 109.465 177.679 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.0 t70 . . . . . 0 CA--C 1.532 0.287 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.52 -54.38 37.63 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 179.156 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.91 -45.34 67.52 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 117.769 0.784 . . . . 0.0 110.91 -179.738 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.91 -50.14 74.61 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 110.345 -0.243 . . . . 0.0 110.345 179.94 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 46.9 mt -58.02 -46.52 85.17 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-N 118.37 0.532 . . . . 0.0 109.931 -179.816 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -60.19 -15.89 28.24 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 114.185 1.18 . . . . 0.0 114.185 -177.868 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.2 mtpt -52.58 -40.58 62.76 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 119.73 1.15 . . . . 0.0 110.872 178.51 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.5 p -63.39 -23.27 67.33 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 113.129 0.789 . . . . 0.0 113.129 179.649 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.6 m -93.01 -36.34 12.78 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 127.105 2.162 . . . . 0.0 110.398 -175.282 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -46.61 -29.52 1.14 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 C-N-CA 125.791 1.636 . . . . 0.0 111.231 179.126 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -55.12 -50.75 57.99 Favored Glycine 0 CA--C 1.536 1.361 0 CA-C-N 118.785 0.72 . . . . 0.0 111.375 177.409 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.0 m -86.97 -45.1 11.1 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 117.604 0.702 . . . . 0.0 110.118 179.911 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 87.5 m-70 -69.42 -20.87 63.78 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 -176.827 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.11 159.79 25.72 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.218 -1.153 . . . . 0.0 110.218 -178.745 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -14.85 -57.65 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 129.216 3.007 . . . . 0.0 113.72 -178.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -147.17 65.8 1.15 Allowed 'General case' 0 N--CA 1.439 -1.019 0 C-N-CA 124.398 1.079 . . . . 0.0 108.378 177.193 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 60.58 22.84 59.87 Favored Glycine 0 CA--C 1.525 0.689 0 C-N-CA 123.184 0.421 . . . . 0.0 112.896 178.739 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.3 p -71.2 -32.4 68.79 Favored 'General case' 0 N--CA 1.441 -0.895 0 C-N-CA 125.382 1.473 . . . . 0.0 112.485 -177.718 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.3 mtmm -94.81 136.83 34.65 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 118.542 0.61 . . . . 0.0 110.119 179.722 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.65 86.57 1.21 Allowed 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 104.127 -2.546 . . . . 0.0 104.127 175.195 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -35.93 130.81 0.59 Allowed 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 115.449 1.648 . . . . 0.0 115.449 -174.85 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 11.1 tpt 25.62 -79.43 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 131.168 3.787 . . . . 0.0 115.142 178.578 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.81 -35.79 58.77 Favored Glycine 0 CA--C 1.526 0.759 0 CA-C-O 119.582 -0.566 . . . . 0.0 112.414 -179.347 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 70.4 m 124.63 56.91 0.0 OUTLIER 'General case' 0 CA--C 1.528 0.13 0 C-N-CA 131.301 3.84 . . . . 0.0 106.147 -178.623 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.44 146.21 30.3 Favored 'General case' 0 N--CA 1.443 -0.815 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 -177.295 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.2 mtmt -61.59 116.14 18.91 Favored Pre-proline 0 N--CA 1.448 -0.547 0 N-CA-C 102.275 -3.231 . . . . 0.0 102.275 173.623 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -32.89 105.34 0.04 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 124.065 3.176 . . . . 0.0 113.007 -176.736 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.0 t -56.41 -32.06 34.92 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 N-CA-C 107.386 -1.339 . . . . 0.0 107.386 -179.86 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.3 tttm -58.51 80.9 0.01 OUTLIER 'General case' 0 C--N 1.346 0.432 0 C-N-CA 126.714 2.005 . . . . 0.0 111.718 176.834 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 133.21 -8.17 5.08 Favored Glycine 0 CA--C 1.521 0.466 0 CA-C-N 114.515 -1.221 . . . . 0.0 113.103 178.112 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -63.92 146.85 53.29 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 119.004 1.402 . . . . 0.0 107.348 178.409 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -39.1 -101.95 0.01 OUTLIER Glycine 0 CA--C 1.54 1.65 0 N-CA-C 119.19 2.436 . . . . 0.0 119.19 -173.849 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 176.38 -59.56 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 128.975 2.91 . . . . 0.0 104.888 179.469 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -59.86 -41.86 92.4 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 106.173 -1.788 . . . . 0.0 106.173 175.488 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -52.94 -66.46 0.38 Allowed 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 126.117 1.767 . . . . 0.0 108.965 177.149 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 32.8 mt -45.56 -49.95 13.47 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 113.177 -1.828 . . . . 0.0 110.008 -179.962 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -65.45 -49.98 67.1 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 123.935 0.894 . . . . 0.0 112.611 -179.098 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -60.52 -39.71 88.82 Favored 'General case' 0 N--CA 1.427 -1.596 0 CA-C-N 119.485 1.039 . . . . 0.0 109.514 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -67.89 -48.65 65.45 Favored 'General case' 0 N--CA 1.437 -1.106 0 C-N-CA 122.861 0.464 . . . . 0.0 109.821 -179.319 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 61.3 mtm -62.87 -42.1 99.63 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-O 118.811 -0.614 . . . . 0.0 109.999 177.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -58.43 -42.97 88.51 Favored 'General case' 0 CA--C 1.529 0.147 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 177.496 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -56.56 -52.04 52.74 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 109.305 -1.518 . . . . 0.0 109.305 176.408 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -65.08 -32.3 73.95 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.94 1.37 . . . . 0.0 111.739 179.127 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -48.82 -51.31 30.1 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.827 1.251 . . . . 0.0 109.677 -178.577 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -93.38 -33.47 13.85 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.064 0.546 . . . . 0.0 110.95 178.928 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.96 17.65 6.27 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 125.938 1.733 . . . . 0.0 112.831 179.941 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 33.4 t -90.41 35.06 0.87 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.745 1.218 . . . . 0.0 111.426 -179.761 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 29.7 t80 . . . . . 0 C--O 1.232 0.147 0 N-CA-C 106.476 -1.675 . . . . 0.0 106.476 177.176 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.531 0.232 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.87 -50.43 66.61 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 123.133 0.573 . . . . 0.0 110.323 -179.714 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 26.4 mmt -59.53 -44.76 93.09 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.054 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 30.1 mmm -58.07 -58.03 10.21 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.318 178.9 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 68.4 m -47.83 -47.44 31.31 Favored 'General case' 0 C--O 1.222 -0.39 0 C-N-CA 124.59 1.156 . . . . 0.0 109.134 177.096 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -60.92 -46.06 92.2 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 118.861 0.755 . . . . 0.0 111.073 178.722 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.95 90.96 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.635 0.774 . . . . 0.0 111.46 -179.629 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 77.1 t -82.07 -31.19 10.24 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 C-N-CA 127.372 2.269 . . . . 0.0 113.468 -176.774 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.71 -36.23 57.11 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 125.212 1.405 . . . . 0.0 111.895 -178.236 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -75.2 -3.0 30.51 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -179.901 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 21.8 m-30 -107.95 -172.31 2.04 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 125.226 1.41 . . . . 0.0 108.936 179.357 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 28.0 m -160.8 159.86 30.47 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 126.812 2.045 . . . . 0.0 107.901 -177.395 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -30.92 -48.55 0.11 Allowed 'General case' 0 C--O 1.225 -0.203 0 C-N-CA 126.646 1.978 . . . . 0.0 115.416 -177.107 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.02 -55.02 37.77 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 119.446 1.021 . . . . 0.0 109.32 179.896 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -56.59 -50.82 70.82 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 124.369 1.068 . . . . 0.0 109.363 179.863 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 74.2 mt -57.33 -46.53 83.16 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.969 0.908 . . . . 0.0 111.374 179.791 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -65.46 -40.28 93.01 Favored 'General case' 0 N--CA 1.452 -0.361 0 O-C-N 121.656 -0.653 . . . . 0.0 109.697 179.565 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.89 -45.5 89.07 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.822 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.3 mt -56.25 -59.83 4.37 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 177.56 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -50.66 -47.38 58.66 Favored 'General case' 0 N--CA 1.449 -0.51 0 O-C-N 123.447 0.467 . . . . 0.0 110.708 -178.29 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -54.39 -43.45 71.43 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 176.52 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -64.84 -57.71 8.13 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 177.026 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.9 mpp? -51.38 -28.47 12.73 Favored 'General case' 0 CA--C 1.539 0.519 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 178.581 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 17.1 t -55.86 -32.65 63.83 Favored 'General case' 0 CA--C 1.534 0.351 0 O-C-N 120.659 -1.276 . . . . 0.0 111.083 177.351 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 32.1 mmtt -103.62 32.04 4.08 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.579 0.752 . . . . 0.0 110.083 -178.508 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 14.8 tp . . . . . 0 C--O 1.251 1.151 0 C-N-CA 125.505 1.522 . . . . 0.0 110.318 -178.76 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 24.2 t0 . . . . . 0 N--CA 1.46 0.054 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.96 -50.45 67.58 Favored Glycine 0 CA--C 1.528 0.845 0 N-CA-C 110.301 -1.12 . . . . 0.0 110.301 178.042 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.29 -49.85 71.07 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 118.204 1.002 . . . . 0.0 111.591 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.25 -51.39 69.16 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 -179.811 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 74.3 mt -54.21 -48.06 71.45 Favored 'General case' 0 N--CA 1.44 -0.933 0 CA-C-N 118.121 0.419 . . . . 0.0 110.787 -179.825 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -62.0 -13.99 31.07 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 114.556 1.317 . . . . 0.0 114.556 -177.331 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -58.44 -30.84 67.23 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 120.845 -1.16 . . . . 0.0 110.788 178.468 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.2 p -70.9 -6.2 36.52 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 112.759 0.651 . . . . 0.0 112.759 178.677 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.3 m -109.55 -37.32 5.73 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 126.624 1.97 . . . . 0.0 110.688 -174.684 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.1 mp -43.05 -35.91 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 C-N-CA 125.775 1.63 . . . . 0.0 110.173 177.442 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -50.1 -43.93 41.89 Favored Glycine 0 CA--C 1.536 1.366 0 O-C-N 121.693 -0.629 . . . . 0.0 112.714 178.171 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.6 m -96.05 -43.92 7.56 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 117.796 0.798 . . . . 0.0 110.421 179.463 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -72.13 -6.65 44.12 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.11 0.964 . . . . 0.0 113.526 -177.585 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 63.9 -158.21 41.37 Favored Glycine 0 N--CA 1.445 -0.742 0 N-CA-C 111.481 -0.648 . . . . 0.0 111.481 178.61 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.24 96.12 0.1 Allowed 'General case' 0 N--CA 1.445 -0.69 0 CA-C-O 121.899 0.857 . . . . 0.0 111.092 -179.307 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 48.22 61.27 3.1 Favored 'General case' 0 N--CA 1.436 -1.141 0 C-N-CA 127.156 2.182 . . . . 0.0 111.144 175.847 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.96 5.69 41.18 Favored Glycine 0 CA--C 1.525 0.663 0 CA-C-O 118.183 -1.343 . . . . 0.0 115.389 177.18 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 52.2 m -68.15 -27.12 66.15 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 119.549 1.675 . . . . 0.0 111.231 179.508 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -88.51 127.87 35.54 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 118.878 0.763 . . . . 0.0 109.584 -179.693 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.55 85.88 0.87 Allowed 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 105.411 -2.07 . . . . 0.0 105.411 176.086 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -36.81 126.71 0.89 Allowed 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 125.384 1.474 . . . . 0.0 114.859 -175.69 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 24.7 mmt 22.27 -76.28 0.0 OUTLIER 'General case' 0 C--N 1.342 0.275 0 C-N-CA 131.665 3.986 . . . . 0.0 115.391 178.863 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -52.95 -33.34 43.64 Favored Glycine 0 CA--C 1.529 0.919 0 C-N-CA 123.305 0.479 . . . . 0.0 112.086 179.504 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 70.5 m 119.95 56.86 0.0 OUTLIER 'General case' 0 C--O 1.23 0.076 1 C-N-CA 131.718 4.007 . . . . 0.0 107.158 179.717 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.58 146.4 30.44 Favored 'General case' 0 N--CA 1.445 -0.698 0 N-CA-C 114.641 1.349 . . . . 0.0 114.641 -178.292 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.7 mtmm -60.43 127.58 86.78 Favored Pre-proline 0 CA--C 1.538 0.514 0 N-CA-C 102.817 -3.031 . . . . 0.0 102.817 172.872 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_exo -41.95 100.94 0.04 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 123.95 3.1 . . . . 0.0 112.62 -177.967 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.3 t -52.3 -33.82 17.65 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 123.075 0.55 . . . . 0.0 109.726 -177.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.7 tttm -42.47 81.07 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 127.543 2.337 . . . . 0.0 116.072 176.534 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.55 14.79 57.94 Favored Glycine 0 N--CA 1.439 -1.131 0 CA-C-O 117.318 -1.823 . . . . 0.0 112.945 175.73 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . 0.325 7.0 pt20 -75.64 95.2 3.33 Favored 'General case' 0 C--N 1.349 0.571 0 CA-C-N 120.289 2.044 . . . . 0.0 110.014 179.9 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 50.36 -148.57 6.9 Favored Glycine 0 CA--C 1.542 1.722 0 C-N-CA 128.866 3.127 . . . . 0.0 110.831 -173.557 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -148.72 -61.56 0.24 Allowed 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 102.316 -3.216 . . . . 0.0 102.316 175.057 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 47.0 tt0 -56.53 -34.97 67.55 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 174.464 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -55.59 -70.53 0.11 Allowed 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 107.632 -1.247 . . . . 0.0 107.632 177.662 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -53.26 -37.49 62.18 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -178.831 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -65.61 -43.44 89.61 Favored 'General case' 0 N--CA 1.452 -0.364 0 O-C-N 121.922 -0.486 . . . . 0.0 110.656 -179.256 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.7 ttmm -69.51 -41.3 76.21 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 -178.856 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -63.41 -47.72 80.77 Favored 'General case' 0 N--CA 1.438 -1.054 0 C-N-CA 123.625 0.77 . . . . 0.0 109.125 -179.951 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 64.4 mtm -65.66 -39.37 91.31 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-O 117.59 -1.195 . . . . 0.0 109.577 178.068 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 58.1 tttp -58.31 -42.91 87.72 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 106.843 -1.539 . . . . 0.0 106.843 176.231 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -53.33 -58.21 12.77 Favored Glycine 0 CA--C 1.528 0.858 0 N-CA-C 109.796 -1.322 . . . . 0.0 109.796 176.934 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -60.89 -44.86 96.52 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 118.522 1.161 . . . . 0.0 111.167 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.95 -48.15 52.17 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 125.934 1.694 . . . . 0.0 108.896 179.686 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -90.86 13.1 17.36 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.702 1.201 . . . . 0.0 112.398 -179.24 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 51.42 35.69 36.52 Favored Glycine 0 CA--C 1.533 1.177 0 C-N-CA 124.545 1.069 . . . . 0.0 113.274 -179.861 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.6 t -120.87 31.8 6.25 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.904 1.682 . . . . 0.0 112.258 -178.121 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 31.3 t80 . . . . . 0 C--O 1.231 0.102 0 N-CA-C 107.147 -1.427 . . . . 0.0 107.147 178.041 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.4 pttm . . . . . 0 CA--C 1.53 0.186 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.18 -49.47 69.67 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.22 0.608 . . . . 0.0 110.642 -178.586 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 25.4 mmt -60.61 -42.91 97.76 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 179.095 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 37.6 mmm -57.98 -61.53 2.48 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 116.015 -0.538 . . . . 0.0 109.631 178.742 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 88.6 m -48.05 -45.47 32.29 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.209 1.004 . . . . 0.0 109.672 177.312 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -61.66 -40.42 94.86 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 121.695 -0.628 . . . . 0.0 111.531 179.159 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.72 -32.73 64.03 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.793 -0.567 . . . . 0.0 111.808 -179.769 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 67.4 t -85.0 -40.86 15.32 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 C-N-CA 125.893 1.677 . . . . 0.0 114.306 -176.072 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 56.9 pttt -52.48 -30.72 31.38 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 -176.626 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.2 pttm -72.63 -10.97 60.43 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.39 0.541 . . . . 0.0 112.194 -179.419 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -97.11 -169.9 1.94 Allowed 'General case' 0 N--CA 1.441 -0.922 0 CA-C-O 123.263 1.506 . . . . 0.0 109.11 178.721 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.3 m -153.42 161.32 42.41 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 127.064 2.145 . . . . 0.0 108.33 -179.44 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -29.43 -53.01 0.13 Allowed 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 126.792 2.037 . . . . 0.0 114.827 -177.728 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -60.91 -51.2 70.31 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 120.964 0.411 . . . . 0.0 110.268 -178.546 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.4 mp0 -58.87 -45.15 90.87 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 178.507 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 47.9 mt -58.12 -50.15 74.47 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 118.493 0.588 . . . . 0.0 110.676 179.036 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -59.46 -45.74 90.78 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 122.894 0.478 . . . . 0.0 110.402 -179.578 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.99 -43.57 95.32 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 -179.125 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 11.3 mt -57.95 -60.46 3.69 Favored 'General case' 0 N--CA 1.44 -0.952 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 178.473 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.18 -46.36 62.09 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 118.143 0.429 . . . . 0.0 111.195 -177.717 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -52.23 -47.73 65.53 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 176.67 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -62.37 -53.76 50.27 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 177.424 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.1 mpp? -49.5 -38.06 28.88 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 119.471 1.032 . . . . 0.0 112.382 178.492 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.3 t -60.12 -27.99 67.5 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 121.449 -0.782 . . . . 0.0 112.191 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -103.55 19.76 19.18 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.853 0.861 . . . . 0.0 111.827 -177.828 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 86.5 mt . . . . . 0 C--O 1.249 1.078 0 CA-C-O 117.692 -1.147 . . . . 0.0 110.524 177.522 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 17.8 t0 . . . . . 0 CA--C 1.532 0.278 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -54.87 -42.87 80.98 Favored Glycine 0 CA--C 1.527 0.824 0 N-CA-C 110.626 -0.99 . . . . 0.0 110.626 177.691 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.6 -23.87 67.27 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 118.395 1.097 . . . . 0.0 112.18 -179.907 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -85.97 -47.66 9.4 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 108.123 -1.065 . . . . 0.0 108.123 179.548 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 38.3 mt -58.31 -43.29 88.1 Favored 'General case' 0 N--CA 1.442 -0.865 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -179.441 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.402 ' CE1' ' SD ' ' A' ' 76' ' ' MET . 2.0 t80 -64.76 -11.06 32.43 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 114.01 1.115 . . . . 0.0 114.01 -178.304 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -54.68 -37.33 65.64 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 120.012 1.278 . . . . 0.0 110.332 178.211 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.1 p -63.47 -23.0 67.21 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 179.227 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.1 m -98.29 -34.44 10.69 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 127.034 2.133 . . . . 0.0 111.462 -175.025 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.3 tp -46.39 -35.45 2.48 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 125.596 1.558 . . . . 0.0 111.322 -179.224 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -56.22 -36.68 69.6 Favored Glycine 0 CA--C 1.532 1.134 0 CA-C-O 119.451 -0.638 . . . . 0.0 112.856 179.081 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.8 t -95.19 -41.88 8.85 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-N 118.19 0.995 . . . . 0.0 111.732 -179.024 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 62.5 m-70 -79.52 -31.18 42.09 Favored 'General case' 0 N--CA 1.435 -1.218 0 C-N-CA 126.78 2.032 . . . . 0.0 116.058 -175.675 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 96.61 157.52 31.3 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 109.333 -1.507 . . . . 0.0 109.333 -177.169 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.22 -37.48 35.64 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 124.588 1.155 . . . . 0.0 112.8 -179.418 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 57.4 p30 -100.56 10.91 40.54 Favored 'General case' 0 N--CA 1.434 -1.23 0 C-N-CA 128.046 2.538 . . . . 0.0 112.334 -178.293 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 44.59 31.51 2.53 Favored Glycine 0 CA--C 1.529 0.968 0 C-N-CA 125.029 1.3 . . . . 0.0 113.434 -177.094 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.0 m -118.64 -6.04 10.68 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.819 0.847 . . . . 0.0 111.266 -179.914 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -83.41 67.06 9.17 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 106.472 -1.677 . . . . 0.0 106.472 178.661 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -12.31 93.12 0.01 OUTLIER 'General case' 0 C--N 1.342 0.246 0 C-N-CA 129.097 2.959 . . . . 0.0 113.248 -177.902 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.44 133.24 10.04 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 124.291 1.037 . . . . 0.0 111.817 -178.719 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 11.2 ptm -10.83 -51.33 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 131.148 3.779 . . . . 0.0 117.242 -176.754 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -53.26 -42.55 63.56 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 110.4 -1.08 . . . . 0.0 110.4 178.379 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 69.4 p 128.47 54.91 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.249 1 C-N-CA 134.014 4.926 . . . . 0.0 107.165 178.589 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.3 121.06 10.46 Favored 'General case' 0 C--N 1.348 0.506 0 C-N-CA 118.045 -1.462 . . . . 0.0 114.203 -176.656 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.49 120.48 48.98 Favored Pre-proline 0 N--CA 1.449 -0.51 0 N-CA-C 101.696 -3.446 . . . . 0.0 101.696 173.767 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -26.59 110.03 0.03 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.741 0 C-N-CA 124.938 3.759 . . . . 0.0 112.831 -175.089 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 73.7 t -59.67 -35.22 58.45 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 N-CA-C 107.382 -1.34 . . . . 0.0 107.382 -178.695 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -41.37 102.77 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 125.328 1.451 . . . . 0.0 114.55 177.39 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 64.58 40.56 97.69 Favored Glycine 0 N--CA 1.44 -1.043 0 CA-C-N 112.689 -2.05 . . . . 0.0 110.166 177.118 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -60.65 -36.14 77.94 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 107.347 -1.353 . . . . 0.0 107.347 179.608 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 132.16 121.11 2.22 Favored Glycine 0 C--O 1.217 -0.934 0 C-N-CA 128.0 2.714 . . . . 0.0 108.583 176.442 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.76 -46.04 10.3 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 121.091 2.446 . . . . 0.0 112.816 -177.64 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -63.22 -40.84 98.61 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 179.435 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -60.88 -64.12 1.06 Allowed 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 125.866 1.667 . . . . 0.0 107.952 179.253 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 33.3 mt -46.1 -50.83 14.9 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 127.091 2.156 . . . . 0.0 109.514 179.29 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -65.16 -51.65 59.87 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 123.388 0.675 . . . . 0.0 112.201 -179.8 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -57.22 -39.42 75.43 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 -178.885 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -70.95 -44.7 65.53 Favored 'General case' 0 N--CA 1.436 -1.135 0 C-N-CA 123.082 0.553 . . . . 0.0 110.195 -178.839 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 2.0 mtm -62.19 -44.3 96.91 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 118.8 0.727 . . . . 0.0 109.594 177.486 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -58.09 -45.74 86.67 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 107.044 -1.465 . . . . 0.0 107.044 177.864 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -53.41 -54.57 29.16 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 110.244 -1.142 . . . . 0.0 110.244 177.025 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -62.72 -43.12 99.64 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 118.628 1.214 . . . . 0.0 110.595 179.684 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.31 -50.31 59.61 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 125.643 1.577 . . . . 0.0 108.855 -179.837 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -90.53 11.21 22.54 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.455 1.102 . . . . 0.0 112.177 -179.299 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 51.08 31.92 26.88 Favored Glycine 0 CA--C 1.535 1.323 0 C-N-CA 124.326 0.965 . . . . 0.0 113.582 -179.22 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.8 t -114.94 33.48 5.38 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 125.966 1.706 . . . . 0.0 111.593 -178.439 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 37.0 t80 . . . . . 0 C--O 1.233 0.2 0 N-CA-C 106.19 -1.782 . . . . 0.0 106.19 179.262 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.172 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.47 -51.8 67.9 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 122.658 0.383 . . . . 0.0 110.886 -178.552 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 61.9 mtt -61.09 -40.56 94.19 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 179.215 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 21.8 mmm -57.21 -60.9 2.93 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 178.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 45.1 m -51.51 -44.67 62.62 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.544 0.738 . . . . 0.0 109.498 177.256 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.14 -36.58 70.89 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.021 0.528 . . . . 0.0 110.667 179.341 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.89 -59.51 2.75 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 122.251 1.024 . . . . 0.0 108.658 178.763 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 72.5 t -49.72 -40.62 15.82 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 C-N-CA 126.926 2.09 . . . . 0.0 113.767 -176.651 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -57.04 -21.42 31.09 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 119.6 1.091 . . . . 0.0 113.088 -179.099 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 47.9 tttp -64.79 -30.78 71.8 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.645 0.657 . . . . 0.0 111.397 178.545 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -91.79 -177.22 4.69 Favored 'General case' 0 N--CA 1.436 -1.137 0 C-N-CA 125.488 1.515 . . . . 0.0 111.202 -175.937 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.6 t -136.82 169.14 18.25 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 128.023 2.529 . . . . 0.0 108.371 179.465 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -43.28 -49.68 6.71 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 125.632 1.573 . . . . 0.0 113.275 -176.944 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.45 -53.22 60.61 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 -179.13 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -57.07 -43.5 82.13 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 123.27 0.628 . . . . 0.0 109.614 179.187 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.7 mt -60.45 -49.52 77.26 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 118.981 0.81 . . . . 0.0 109.714 178.728 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -57.51 -46.21 84.06 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 121.951 -0.468 . . . . 0.0 109.784 179.421 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.09 -44.58 95.32 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 -179.744 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 15.0 mt -59.52 -48.25 82.37 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.432 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.95 -41.74 96.89 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 -179.552 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -55.59 -49.0 73.93 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 177.565 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -58.78 -61.32 2.71 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 178.379 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.402 ' SD ' ' CE1' ' A' ' 7' ' ' TYR . 68.6 mtm -49.78 -32.77 14.67 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 178.204 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.6 t -71.18 -30.8 66.87 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-O 118.442 -0.789 . . . . 0.0 111.248 -179.626 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 44.8 pttt -107.83 26.7 10.01 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.6 0.76 . . . . 0.0 109.996 179.044 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 39.4 tp . . . . . 0 C--O 1.252 1.218 0 C-N-CA 125.804 1.641 . . . . 0.0 110.435 179.295 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 CA--C 1.529 0.161 0 N-CA-C 112.527 0.566 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -49.48 -49.13 33.47 Favored Glycine 0 CA--C 1.527 0.808 0 N-CA-C 111.335 -0.706 . . . . 0.0 111.335 179.154 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.3 -25.63 15.55 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 112.891 0.701 . . . . 0.0 112.891 179.548 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -89.86 -22.17 22.18 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 118.908 0.776 . . . . 0.0 110.72 -179.58 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 67.6 mt -85.5 -34.88 21.47 Favored 'General case' 0 N--CA 1.435 -1.179 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 179.808 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -76.31 -8.22 56.62 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 115.932 1.827 . . . . 0.0 115.932 -177.887 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.3 mtmm -52.18 -45.8 65.27 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.056 -1.027 . . . . 0.0 112.377 -178.405 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.3 m -68.5 -6.81 27.26 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 -179.407 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 10.4 m -100.81 -37.36 8.73 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 126.672 1.989 . . . . 0.0 109.959 -177.228 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -47.32 -30.16 1.71 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 C-N-CA 125.198 1.399 . . . . 0.0 109.717 177.011 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -49.61 -47.09 37.83 Favored Glycine 0 CA--C 1.536 1.389 0 C-N-CA 123.939 0.781 . . . . 0.0 112.823 177.64 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.5 m -91.25 -45.65 8.51 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 118.666 1.233 . . . . 0.0 110.157 179.594 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 69.3 m-70 -70.33 -16.91 63.05 Favored 'General case' 0 N--CA 1.431 -1.412 0 C-N-CA 126.195 1.798 . . . . 0.0 115.684 -175.565 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.37 154.74 23.38 Favored Glycine 0 CA--C 1.528 0.867 0 N-CA-C 109.356 -1.498 . . . . 0.0 109.356 -178.112 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -34.93 -59.71 0.48 Allowed 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 126.139 1.776 . . . . 0.0 113.184 -178.339 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.1 p-10 -102.69 38.23 1.76 Allowed 'General case' 0 N--CA 1.438 -1.066 0 C-N-CA 125.861 1.665 . . . . 0.0 111.512 -179.429 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 47.48 30.22 6.02 Favored Glycine 0 CA--C 1.532 1.115 0 C-N-CA 124.904 1.24 . . . . 0.0 114.984 178.149 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.1 p -89.88 -29.71 18.37 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 126.728 2.011 . . . . 0.0 113.702 -176.216 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.88 131.92 41.98 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 -177.838 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.7 80.75 0.85 Allowed 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 179.905 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -37.94 133.07 0.9 Allowed 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 126.5 1.92 . . . . 0.0 115.255 -176.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 38.7 tpp 21.85 -82.23 0.0 OUTLIER 'General case' 0 C--N 1.345 0.376 0 C-N-CA 129.938 3.295 . . . . 0.0 113.107 179.468 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.0 46.26 2.08 Favored Glycine 0 CA--C 1.53 1.026 0 CA-C-O 119.644 -0.531 . . . . 0.0 112.141 179.133 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.9 m 47.16 53.39 10.77 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 126.852 2.061 . . . . 0.0 111.097 178.716 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.31 138.6 56.29 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 114.446 1.276 . . . . 0.0 114.446 -177.898 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.9 pttm -63.1 114.09 11.48 Favored Pre-proline 0 CA--C 1.542 0.638 0 N-CA-C 102.377 -3.194 . . . . 0.0 102.377 172.344 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -32.13 119.56 0.09 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.525 0 C-N-CA 124.568 3.512 . . . . 0.0 114.061 -175.374 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 28.9 m -66.17 -18.22 23.68 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.733 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 179.163 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 43.5 tptt -54.19 85.36 0.0 OUTLIER 'General case' 0 C--N 1.346 0.43 0 C-N-CA 126.856 2.062 . . . . 0.0 112.018 175.908 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 112.48 2.98 25.84 Favored Glycine 0 C--N 1.318 -0.438 0 CA-C-N 114.258 -1.337 . . . . 0.0 113.521 177.01 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -63.92 147.02 52.97 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 105.382 -2.081 . . . . 0.0 105.382 176.271 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -76.06 141.11 26.65 Favored Glycine 0 CA--C 1.529 0.913 0 O-C-N 120.674 -1.267 . . . . 0.0 114.097 -175.065 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -46.06 -48.43 16.93 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 119.797 1.798 . . . . 0.0 112.378 179.821 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.5 tm-20 -59.64 -44.1 93.62 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 -179.93 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -59.09 -63.3 1.35 Allowed 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 125.355 1.462 . . . . 0.0 107.846 179.694 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 49.1 mt -45.86 -49.62 15.21 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 126.925 2.09 . . . . 0.0 109.681 -179.87 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -66.54 -50.05 64.43 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 123.014 0.526 . . . . 0.0 112.323 -179.482 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -59.37 -40.71 87.38 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 121.525 0.679 . . . . 0.0 109.82 -178.918 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -69.97 -50.74 38.73 Favored 'General case' 0 N--CA 1.439 -1.017 0 C-N-CA 123.113 0.565 . . . . 0.0 110.174 -178.307 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 60.5 mtm -61.81 -37.08 83.07 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 118.481 -0.771 . . . . 0.0 109.638 178.574 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -58.33 -47.56 83.36 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 177.698 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.01 -45.52 92.28 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.313 -0.715 . . . . 0.0 111.313 177.458 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -66.54 -33.14 75.02 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 118.302 1.051 . . . . 0.0 109.905 177.669 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.22 -49.4 69.87 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 124.348 1.059 . . . . 0.0 109.518 -179.017 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.5 p30 -88.12 -15.94 34.8 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -177.528 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.98 5.4 62.58 Favored Glycine 0 CA--C 1.531 1.036 0 C-N-CA 124.029 0.823 . . . . 0.0 113.346 179.181 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.0 t -76.27 -8.76 57.77 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 118.722 1.261 . . . . 0.0 111.097 178.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 9.2 t80 . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 105.55 -2.019 . . . . 0.0 105.55 177.873 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.426 -1.665 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.54 -51.07 60.55 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 177.596 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 26.3 mmt -56.23 -47.81 77.73 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 177.61 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 35.7 mmm -50.99 -60.59 2.93 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.819 0.847 . . . . 0.0 110.509 178.579 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 33.1 m -52.65 -51.98 57.74 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 122.715 0.406 . . . . 0.0 109.915 -179.562 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -58.03 -33.4 68.93 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 111.655 0.243 . . . . 0.0 111.655 179.578 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -80.19 -60.55 2.29 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 -177.53 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.2 m -59.43 -30.19 43.81 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.104 0 CA-C-O 118.435 -0.793 . . . . 0.0 112.708 -169.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.55 -16.42 6.0 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 119.336 0.971 . . . . 0.0 112.575 179.947 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -65.1 -24.22 67.37 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 119.182 0.901 . . . . 0.0 110.491 176.403 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -98.19 144.63 27.44 Favored 'General case' 0 N--CA 1.432 -1.338 0 C-N-CA 126.955 2.102 . . . . 0.0 108.049 -179.596 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 58.1 p -90.82 169.45 10.93 Favored 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 127.43 2.292 . . . . 0.0 108.558 177.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -49.39 -44.02 44.74 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.817 0.735 . . . . 0.0 112.783 -179.294 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -60.62 -53.5 56.68 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 118.574 0.625 . . . . 0.0 109.799 179.408 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -55.64 -48.31 75.19 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.983 0.913 . . . . 0.0 109.843 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 66.1 mt -60.74 -46.06 91.89 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 124.367 1.067 . . . . 0.0 110.59 179.088 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.4 tptp -61.97 -42.77 99.5 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 179.184 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.23 -45.86 91.44 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.949 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.9 mt -54.86 -54.34 43.65 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 177.61 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.69 -45.84 88.59 Favored 'General case' 0 N--CA 1.452 -0.347 0 O-C-N 123.154 0.284 . . . . 0.0 110.511 -178.266 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -54.73 -49.23 71.28 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.213 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -59.87 -60.78 3.29 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 178.123 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 62.1 mtm -49.59 -35.87 22.22 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -179.743 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.6 t -56.7 -28.0 60.06 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.471 -0.768 . . . . 0.0 110.238 179.62 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -123.22 52.02 1.41 Allowed 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 105.197 -2.149 . . . . 0.0 105.197 175.12 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.229 0 C-N-CA 127.05 2.14 . . . . 0.0 111.583 -178.374 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 CA--C 1.533 0.309 0 N-CA-C 112.16 0.429 . . . . 0.0 112.16 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -51.8 -49.37 47.97 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.661 -0.975 . . . . 0.0 110.661 179.618 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.76 -27.27 59.2 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 121.735 -0.862 . . . . 0.0 112.797 179.499 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.85 -48.66 10.52 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 179.715 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 79.3 mt -56.75 -41.86 78.3 Favored 'General case' 0 N--CA 1.442 -0.825 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 179.928 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -67.94 -8.82 40.14 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 114.746 1.387 . . . . 0.0 114.746 -178.056 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 61.7 mtpt -50.03 -46.56 53.09 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 119.7 1.136 . . . . 0.0 111.954 -179.793 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.3 m -78.09 23.9 0.26 Allowed 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 113.547 0.943 . . . . 0.0 113.547 -178.178 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.1 m -128.36 -33.91 2.1 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 125.743 1.617 . . . . 0.0 109.335 -177.51 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.8 mm -44.85 -38.5 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.478 0 C-N-CA 126.219 1.808 . . . . 0.0 110.355 177.736 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -47.73 -37.8 14.8 Favored Glycine 0 CA--C 1.533 1.215 0 CA-C-O 119.42 -0.656 . . . . 0.0 113.131 178.846 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.0 m -105.19 -43.51 5.0 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 117.96 0.88 . . . . 0.0 111.524 179.867 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -80.7 -29.47 36.47 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 115.024 1.49 . . . . 0.0 115.024 -175.635 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 89.08 151.78 24.74 Favored Glycine 0 CA--C 1.527 0.83 0 N-CA-C 109.732 -1.347 . . . . 0.0 109.732 -177.511 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.97 -26.11 24.13 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.465 1.106 . . . . 0.0 113.084 -178.939 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.0 p-10 -115.65 16.37 16.45 Favored 'General case' 0 N--CA 1.432 -1.35 0 C-N-CA 129.663 3.185 . . . . 0.0 112.331 -177.454 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 51.74 24.28 12.46 Favored Glycine 0 C--N 1.339 0.71 0 N-CA-C 116.633 1.413 . . . . 0.0 116.633 177.104 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 72.0 p -93.8 -19.18 21.27 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 118.156 0.978 . . . . 0.0 111.789 -178.56 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.7 mptt -75.54 116.38 16.2 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 106.617 -1.623 . . . . 0.0 106.617 -178.736 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.51 80.91 0.57 Allowed 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 -179.485 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -33.68 123.96 0.44 Allowed 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 126.381 1.872 . . . . 0.0 114.289 -176.71 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 22.4 mmt 13.48 -71.43 0.0 OUTLIER 'General case' 0 C--N 1.346 0.435 0 C-N-CA 131.246 3.818 . . . . 0.0 113.674 -179.35 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.38 44.08 1.62 Allowed Glycine 0 CA--C 1.534 1.28 0 CA-C-N 118.694 0.679 . . . . 0.0 111.53 176.963 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 27.9 m 46.34 51.43 11.52 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 127.382 2.273 . . . . 0.0 112.283 178.897 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.2 129.82 43.75 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 117.987 -1.485 . . . . 0.0 111.685 179.639 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -57.9 135.19 83.52 Favored Pre-proline 0 CA--C 1.542 0.66 0 N-CA-C 103.632 -2.729 . . . . 0.0 103.632 173.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_endo -39.6 106.56 0.06 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 124.067 3.178 . . . . 0.0 113.09 -174.099 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 52.9 t -55.96 -23.86 16.2 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 C-N-CA 123.863 0.865 . . . . 0.0 110.131 -179.188 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -43.95 90.97 0.0 OUTLIER 'General case' 0 C--N 1.341 0.214 0 CA-C-O 123.39 1.566 . . . . 0.0 113.525 175.404 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 71.75 48.33 28.76 Favored Glycine 0 N--CA 1.443 -0.868 0 CA-C-N 112.062 -2.335 . . . . 0.0 110.24 179.083 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -53.78 -36.24 62.19 Favored 'General case' 0 CA--C 1.554 1.103 0 N-CA-C 107.357 -1.349 . . . . 0.0 107.357 179.36 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.18 -110.58 0.32 Allowed Glycine 0 CA--C 1.534 1.275 0 C-N-CA 129.653 3.502 . . . . 0.0 107.669 172.879 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -179.98 -63.76 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 130.349 3.46 . . . . 0.0 102.515 176.15 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 -62.06 -40.1 94.63 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 105.038 -2.208 . . . . 0.0 105.038 172.777 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -53.98 -66.38 0.41 Allowed 'General case' 0 C--N 1.342 0.28 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 176.817 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.9 mt -48.83 -42.16 35.29 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 124.921 1.288 . . . . 0.0 111.873 -179.376 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -71.94 -41.22 68.07 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 123.425 0.69 . . . . 0.0 111.566 -178.77 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -66.24 -41.18 90.37 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 -179.544 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 63.3 mmtt -64.53 -51.95 60.23 Favored 'General case' 0 N--CA 1.437 -1.116 0 C-N-CA 124.14 0.976 . . . . 0.0 108.515 -179.715 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 49.4 mtm -62.35 -38.2 88.6 Favored 'General case' 0 C--O 1.214 -0.801 0 CA-C-O 117.784 -1.103 . . . . 0.0 110.319 178.153 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -60.01 -46.39 89.65 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 120.935 1.698 . . . . 0.0 107.583 178.014 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -55.23 -42.59 82.72 Favored Glycine 0 CA--C 1.528 0.884 0 N-CA-C 111.784 -0.526 . . . . 0.0 111.784 177.437 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -74.85 -31.31 61.61 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 117.783 0.792 . . . . 0.0 110.145 177.413 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.56 -45.72 88.36 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 106.66 -1.607 . . . . 0.0 106.66 179.278 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -79.39 -39.39 32.62 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 177.074 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.21 -4.48 22.0 Favored Glycine 0 CA--C 1.53 0.994 0 C-N-CA 125.257 1.408 . . . . 0.0 114.128 177.219 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 27.0 t -72.86 -32.37 65.38 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 118.674 1.237 . . . . 0.0 111.94 -178.517 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 24.3 t80 . . . . . 0 C--N 1.342 0.268 0 CA-C-N 120.239 1.381 . . . . 0.0 108.4 179.627 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.438 -1.027 0 N-CA-C 112.434 0.531 . . . . 0.0 112.434 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.99 -54.2 29.19 Favored 'General case' 0 N--CA 1.456 -0.139 0 CA-C-N 118.259 0.481 . . . . 0.0 109.961 -179.468 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 17.0 tpt -56.95 -47.08 81.52 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 178.711 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 41.3 mmm -54.6 -61.44 2.31 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.704 179.056 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 52.4 m -47.5 -47.87 27.41 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 124.613 1.165 . . . . 0.0 109.969 177.961 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.6 -42.81 97.51 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 118.527 0.603 . . . . 0.0 110.921 179.678 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.27 -31.92 66.19 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.373 0.669 . . . . 0.0 112.669 -178.651 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 79.5 t -87.75 -47.52 15.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 126.169 1.787 . . . . 0.0 114.295 -175.533 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -52.16 -30.1 25.2 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.164 0.986 . . . . 0.0 112.39 -177.505 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.0 ptpp? -70.5 -14.69 62.62 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 118.914 -0.565 . . . . 0.0 112.516 179.288 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -102.41 156.73 17.4 Favored 'General case' 0 N--CA 1.437 -1.09 0 C-N-CA 124.998 1.319 . . . . 0.0 108.755 179.839 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 86.0 p -96.8 162.13 13.56 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 127.207 2.203 . . . . 0.0 109.645 179.519 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -49.44 -40.19 35.84 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 122.921 0.488 . . . . 0.0 112.093 179.885 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -60.65 -54.83 40.6 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 178.945 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -56.64 -48.13 78.22 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.445 0.698 . . . . 0.0 110.067 179.348 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 77.7 mt -58.86 -47.31 85.35 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.816 0.846 . . . . 0.0 110.509 179.346 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -63.32 -38.24 90.39 Favored 'General case' 0 N--CA 1.453 -0.302 0 O-C-N 121.395 -0.815 . . . . 0.0 109.93 179.727 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.41 -44.83 81.92 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 179.035 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.9 mt -56.44 -50.08 72.71 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 177.815 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.08 -50.51 73.22 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 123.112 0.565 . . . . 0.0 109.86 -179.672 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -52.01 -44.55 64.19 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 176.861 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -63.5 -58.81 5.83 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 178.208 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 56.3 mtm -47.84 -31.24 4.78 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 176.66 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.6 t -59.62 -37.35 78.4 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.205 -0.934 . . . . 0.0 110.749 178.693 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -105.56 33.09 3.89 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.61 1.164 . . . . 0.0 110.415 -179.632 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 40.5 tp . . . . . 0 C--O 1.249 1.054 0 C-N-CA 125.261 1.424 . . . . 0.0 110.787 179.463 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 16.3 t0 . . . . . 0 CA--C 1.533 0.292 0 CA-C-O 120.739 0.304 . . . . 0.0 111.714 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -55.06 -43.04 83.16 Favored Glycine 0 CA--C 1.528 0.845 0 N-CA-C 110.383 -1.087 . . . . 0.0 110.383 177.894 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.0 -21.36 66.09 Favored 'General case' 0 N--CA 1.455 -0.191 0 O-C-N 121.788 -0.831 . . . . 0.0 112.374 179.519 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.16 -47.81 8.18 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 107.583 -1.266 . . . . 0.0 107.583 178.342 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 58.4 mt -57.71 -44.48 85.96 Favored 'General case' 0 N--CA 1.441 -0.925 0 CA-C-O 119.289 -0.386 . . . . 0.0 110.233 -179.325 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -71.53 -8.94 57.13 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 115.568 1.692 . . . . 0.0 115.568 -177.447 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.51 -37.21 72.62 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 119.995 1.271 . . . . 0.0 111.531 -178.47 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.9 m -70.82 -10.58 59.83 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 121.484 -0.76 . . . . 0.0 112.789 179.269 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.5 m -99.47 -34.13 10.39 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 126.607 1.963 . . . . 0.0 110.165 -178.161 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.2 tp -46.52 -30.32 1.25 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 C-N-CA 126.151 1.78 . . . . 0.0 110.773 179.001 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -57.87 -46.69 92.11 Favored Glycine 0 CA--C 1.535 1.324 0 O-C-N 121.514 -0.742 . . . . 0.0 111.514 177.72 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.2 m -83.64 -44.13 14.87 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 117.72 0.76 . . . . 0.0 110.251 -179.758 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -79.67 -12.25 59.82 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 115.057 1.503 . . . . 0.0 115.057 -176.167 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.48 157.6 32.57 Favored Glycine 0 CA--C 1.524 0.637 0 O-C-N 120.904 -1.122 . . . . 0.0 110.996 -179.764 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -32.82 -58.99 0.35 Allowed 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 127.037 2.135 . . . . 0.0 113.658 -178.459 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -110.97 33.96 4.3 Favored 'General case' 0 N--CA 1.444 -0.731 0 C-N-CA 125.801 1.641 . . . . 0.0 111.226 -179.647 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 58.77 28.89 63.69 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 121.63 -0.669 . . . . 0.0 112.953 179.642 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.9 p -91.18 -26.58 18.99 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 126.155 1.782 . . . . 0.0 113.204 -177.462 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.05 128.9 37.17 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 -178.663 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.9 84.61 1.24 Allowed 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 105.917 -1.882 . . . . 0.0 105.917 176.824 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -41.72 128.83 3.35 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 124.974 1.309 . . . . 0.0 114.334 -175.374 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 88.8 mmm 22.66 -76.72 0.0 OUTLIER 'General case' 0 C--N 1.342 0.281 0 C-N-CA 131.483 3.913 . . . . 0.0 115.552 178.821 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -53.68 -34.58 50.52 Favored Glycine 0 CA--C 1.528 0.874 0 N-CA-C 111.766 -0.534 . . . . 0.0 111.766 179.564 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 68.1 m 120.12 57.61 0.0 OUTLIER 'General case' 0 N--CA 1.456 -0.15 1 C-N-CA 132.033 4.133 . . . . 0.0 107.354 179.639 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.29 136.85 53.11 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 119.422 -0.911 . . . . 0.0 112.444 -179.723 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.9 pttp -59.28 139.03 88.54 Favored Pre-proline 0 CA--C 1.545 0.772 0 N-CA-C 103.386 -2.82 . . . . 0.0 103.386 172.005 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_endo -46.37 109.38 0.2 Allowed 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 122.985 2.457 . . . . 0.0 113.575 -174.399 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.6 t -55.61 -26.31 19.58 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 C-N-CA 123.964 0.906 . . . . 0.0 109.05 179.414 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.4 tptt -49.55 88.02 0.0 OUTLIER 'General case' 0 C--N 1.343 0.316 0 C-N-CA 126.455 1.902 . . . . 0.0 112.292 176.854 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 76.18 43.72 20.22 Favored Glycine 0 N--CA 1.444 -0.811 0 CA-C-N 112.636 -2.074 . . . . 0.0 110.403 179.296 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -54.06 -35.02 61.57 Favored 'General case' 0 CA--C 1.551 0.986 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 178.516 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 163.21 -129.21 1.98 Allowed Glycine 0 CA--C 1.531 1.078 1 C-N-CA 130.864 4.078 . . . . 0.0 104.469 176.725 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -155.75 -61.6 0.11 Allowed 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 102.406 -3.183 . . . . 0.0 102.406 173.497 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -56.85 -35.74 69.22 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 106.716 -1.586 . . . . 0.0 106.716 173.746 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.7 tp10 -54.65 -73.53 0.05 OUTLIER 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 125.427 1.491 . . . . 0.0 107.873 177.838 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mp -51.76 -38.4 55.28 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.216 -177.746 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -66.62 -42.24 87.12 Favored 'General case' 0 N--CA 1.447 -0.625 0 CA-C-N 118.127 0.421 . . . . 0.0 110.972 179.63 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -67.82 -41.98 82.19 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 -179.343 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.7 mmtp -65.85 -44.68 84.76 Favored 'General case' 0 N--CA 1.436 -1.174 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 -179.14 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 61.4 mtm -67.18 -37.52 83.85 Favored 'General case' 0 C--O 1.218 -0.569 0 CA-C-O 118.246 -0.883 . . . . 0.0 109.711 177.804 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -58.54 -42.88 88.83 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 106.734 -1.58 . . . . 0.0 106.734 176.704 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.39 -56.42 25.18 Favored Glycine 0 CA--C 1.532 1.104 0 N-CA-C 110.275 -1.13 . . . . 0.0 110.275 176.648 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -61.71 -33.33 73.82 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.869 1.334 . . . . 0.0 112.156 -179.686 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.24 -52.7 42.23 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 124.889 1.275 . . . . 0.0 109.36 -178.838 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.25 -40.04 17.07 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 178.757 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 119.06 26.19 2.56 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 126.218 1.866 . . . . 0.0 112.316 -179.791 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.3 t -100.15 35.51 2.06 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.892 1.277 . . . . 0.0 111.485 -179.672 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 27.3 t80 . . . . . 0 C--O 1.231 0.092 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 177.349 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.0 pttp . . . . . 0 N--CA 1.441 -0.886 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.4 -50.5 63.23 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 123.482 0.713 . . . . 0.0 110.392 -178.532 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -59.51 -44.29 93.16 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 107.329 -1.36 . . . . 0.0 107.329 178.757 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 33.6 mmm -56.32 -62.82 1.46 Allowed 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.409 178.595 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 53.0 m -44.82 -51.39 9.54 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 125.419 1.487 . . . . 0.0 109.675 177.47 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -58.88 -45.32 90.47 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 122.081 -0.387 . . . . 0.0 111.564 179.793 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.7 -26.44 62.5 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -178.247 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 56.3 t -89.37 -49.41 13.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 C-N-CA 125.623 1.569 . . . . 0.0 113.135 -177.264 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 25.7 tttp -49.73 -29.04 6.91 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.386 1.475 . . . . 0.0 112.96 -177.429 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.0 -25.23 66.99 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 179.309 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -88.82 165.48 14.64 Favored 'General case' 0 N--CA 1.436 -1.159 0 CA-C-O 123.605 1.669 . . . . 0.0 110.989 -178.756 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 89.8 p -100.83 161.43 13.6 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 128.208 2.603 . . . . 0.0 108.548 178.614 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -52.34 -41.66 63.22 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 111.902 0.334 . . . . 0.0 111.902 -179.199 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -59.4 -53.84 53.61 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.346 0.658 . . . . 0.0 109.352 178.877 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -56.8 -46.06 81.8 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 122.897 0.479 . . . . 0.0 109.834 179.073 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 47.9 mt -58.14 -48.52 80.0 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.361 0.664 . . . . 0.0 110.565 178.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.4 ttpp -60.9 -47.26 87.19 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.327 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.92 -43.69 94.74 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 -178.832 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 11.1 mt -56.92 -60.24 3.86 Favored 'General case' 0 N--CA 1.441 -0.918 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 177.877 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -50.01 -48.22 52.61 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 118.211 0.46 . . . . 0.0 111.223 -178.568 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -52.17 -46.83 65.67 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 108.739 -0.838 . . . . 0.0 108.739 177.297 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -63.96 -53.89 43.15 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-O 118.38 -0.819 . . . . 0.0 109.22 177.466 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.5 mpp? -48.89 -32.85 9.61 Favored 'General case' 0 C--N 1.346 0.419 0 CA-C-N 119.637 1.108 . . . . 0.0 112.659 178.415 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.5 t -55.52 -32.7 63.13 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.805 -0.559 . . . . 0.0 111.819 178.66 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.1 ttpp -141.44 67.82 1.34 Allowed 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 123.945 0.898 . . . . 0.0 108.728 179.174 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.251 1.169 0 CA-C-O 117.225 -1.369 . . . . 0.0 111.793 178.47 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 . . . . . 0 CA--C 1.523 -0.066 0 N-CA-C 107.232 -1.395 . . . . 0.0 107.232 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.8 73.06 0.97 Allowed Glycine 0 N--CA 1.439 -1.155 1 N-CA-C 100.713 -4.955 . . . . 0.0 100.713 -170.281 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 131.2 -50.88 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.4 1 C-N-CA 131.971 4.109 . . . . 0.0 106.476 -174.827 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.25 -26.12 60.99 Favored 'General case' 0 C--N 1.345 0.401 0 C-N-CA 119.493 -0.883 . . . . 0.0 111.13 -178.026 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 17.5 mt -81.12 -34.31 32.62 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 118.8 0.727 . . . . 0.0 110.081 -179.925 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.4 ' CE1' ' SD ' ' A' ' 76' ' ' MET . 1.9 t80 -75.34 -10.87 59.85 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 115.177 1.547 . . . . 0.0 115.177 -177.766 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -49.21 -43.18 42.17 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.378 -0.826 . . . . 0.0 112.745 -179.217 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.4 m -74.68 -5.29 42.35 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 113.542 0.941 . . . . 0.0 113.542 -177.852 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.7 m -101.28 -36.88 8.74 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 126.767 2.027 . . . . 0.0 109.595 -177.26 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -46.3 -31.72 1.44 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 C-N-CA 125.659 1.584 . . . . 0.0 109.516 176.889 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -52.1 -44.31 56.79 Favored Glycine 0 CA--C 1.537 1.408 0 CA-C-O 119.387 -0.674 . . . . 0.0 112.546 177.655 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.6 m -96.48 -44.92 6.97 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 118.344 1.072 . . . . 0.0 110.526 179.547 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -74.86 -17.39 60.6 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 114.193 1.183 . . . . 0.0 114.193 -175.726 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.13 159.78 34.28 Favored Glycine 0 CA--C 1.529 0.917 0 N-CA-C 110.518 -1.033 . . . . 0.0 110.518 -179.302 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -32.89 -58.45 0.36 Allowed 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 127.027 2.131 . . . . 0.0 113.873 -178.311 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.9 p-10 -110.73 43.57 1.4 Allowed 'General case' 0 N--CA 1.437 -1.113 0 C-N-CA 127.27 2.228 . . . . 0.0 109.59 -179.151 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 37.67 29.89 0.05 OUTLIER Glycine 0 CA--C 1.535 1.299 0 C-N-CA 127.177 2.322 . . . . 0.0 115.622 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.1 p -79.36 -31.35 42.91 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 126.442 1.897 . . . . 0.0 113.305 -178.454 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -71.65 129.9 39.84 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 121.734 0.778 . . . . 0.0 110.094 -178.457 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.52 83.79 0.42 Allowed 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 106.04 -1.837 . . . . 0.0 106.04 176.158 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -43.25 140.35 1.59 Allowed 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 126.264 1.826 . . . . 0.0 115.679 -176.859 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 11.1 tpt 29.49 -89.63 0.0 OUTLIER 'General case' 0 C--N 1.339 0.137 0 C-N-CA 129.066 2.946 . . . . 0.0 113.574 178.573 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.61 42.38 1.75 Allowed Glycine 0 CA--C 1.528 0.902 0 CA-C-N 118.708 0.685 . . . . 0.0 112.361 -179.757 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.9 m 51.65 57.95 6.01 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 125.295 1.438 . . . . 0.0 109.774 -178.868 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.38 151.65 9.73 Favored 'General case' 0 N--CA 1.442 -0.858 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 -178.545 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm -56.01 124.75 60.61 Favored Pre-proline 0 CA--C 1.537 0.462 0 N-CA-C 102.722 -3.066 . . . . 0.0 102.722 172.445 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_endo -47.75 115.66 1.54 Allowed 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 121.946 1.764 . . . . 0.0 110.158 -176.707 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 71.8 t -59.6 -40.87 83.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 N-CA-C 107.173 -1.417 . . . . 0.0 107.173 -178.228 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.4 tmtm? -58.09 101.66 0.08 Allowed 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 121.784 0.802 . . . . 0.0 109.679 172.33 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 122.47 -17.75 8.33 Favored Glycine 0 N--CA 1.45 -0.411 0 CA-C-N 113.759 -1.564 . . . . 0.0 111.625 178.786 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -66.13 142.7 57.67 Favored 'General case' 0 N--CA 1.44 -0.953 0 N-CA-C 106.481 -1.674 . . . . 0.0 106.481 178.216 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -82.46 141.96 21.64 Favored Glycine 0 CA--C 1.525 0.715 0 CA-C-O 119.061 -0.855 . . . . 0.0 112.741 -176.076 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -43.94 -55.55 4.53 Favored 'General case' 0 CA--C 1.518 -0.287 0 C-N-CA 126.354 1.862 . . . . 0.0 111.403 -179.113 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -53.85 -48.78 69.64 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 -179.453 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -58.88 -54.94 41.46 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 123.654 0.781 . . . . 0.0 109.861 -179.312 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 24.5 mt -51.6 -48.71 63.11 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 125.152 1.381 . . . . 0.0 110.22 179.693 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.79 -53.26 58.32 Favored 'General case' 0 C--O 1.223 -0.309 0 C-N-CA 124.235 1.014 . . . . 0.0 110.177 -179.397 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -54.31 -53.07 58.79 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 124.979 1.312 . . . . 0.0 109.926 -178.265 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -58.47 -49.76 76.16 Favored 'General case' 0 N--CA 1.435 -1.179 0 C-N-CA 125.471 1.508 . . . . 0.0 109.505 179.188 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 56.7 mtm -61.72 -38.39 87.72 Favored 'General case' 0 C--O 1.219 -0.528 0 CA-C-O 118.307 -0.854 . . . . 0.0 110.364 178.281 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.1 tptp -60.01 -42.32 94.06 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 107.328 -1.36 . . . . 0.0 107.328 178.55 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -56.36 -55.09 31.38 Favored Glycine 0 CA--C 1.527 0.837 0 N-CA-C 110.592 -1.003 . . . . 0.0 110.592 177.086 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.425 ' CE1' ' CD2' ' A' ' 49' ' ' TYR . 19.8 m-85 -61.31 -45.73 93.24 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 118.419 1.109 . . . . 0.0 109.998 179.759 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.08 -45.47 61.45 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 125.88 1.672 . . . . 0.0 109.566 179.658 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -89.91 3.53 52.77 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.518 0.727 . . . . 0.0 112.288 -178.331 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 60.1 27.87 65.62 Favored Glycine 0 CA--C 1.535 1.286 0 CA-C-N 119.123 0.874 . . . . 0.0 111.548 -177.888 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.7 t -107.25 20.04 19.51 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.724 1.61 . . . . 0.0 111.006 -179.509 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.425 ' CD2' ' CE1' ' A' ' 44' ' ' TYR . 7.8 t80 . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 103.859 -2.645 . . . . 0.0 103.859 179.196 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.425 -1.722 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.87 -43.41 94.71 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 120.321 1.419 . . . . 0.0 108.29 176.941 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 65.0 mtt -60.64 -46.79 88.97 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 178.492 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 43.3 mmm -54.85 -58.73 6.42 Favored 'General case' 0 C--O 1.223 -0.303 0 C-N-CA 123.182 0.593 . . . . 0.0 109.85 178.402 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 41.2 m -46.09 -48.25 17.1 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 125.079 1.352 . . . . 0.0 109.534 177.744 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.53 -42.74 99.72 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 118.082 0.401 . . . . 0.0 110.65 178.831 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.75 -27.57 66.03 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.42 1.088 . . . . 0.0 112.604 -179.498 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 60.3 t -92.54 -42.98 13.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 125.947 1.699 . . . . 0.0 113.737 -175.967 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 55.0 mttm -55.37 -27.6 48.48 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 119.61 1.095 . . . . 0.0 113.056 -178.144 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.6 ptpp? -69.73 -13.48 62.31 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 178.104 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -103.17 -173.89 2.42 Favored 'General case' 0 N--CA 1.441 -0.892 0 C-N-CA 125.936 1.694 . . . . 0.0 107.995 178.728 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 28.9 t -156.44 166.31 33.78 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 126.205 1.802 . . . . 0.0 107.749 -178.565 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -29.43 -52.82 0.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 127.313 2.245 . . . . 0.0 114.701 -176.549 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -62.17 -52.02 65.48 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 121.603 0.716 . . . . 0.0 110.88 -178.65 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 33.9 mp0 -63.47 -43.44 97.3 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 123.679 0.792 . . . . 0.0 109.371 -179.777 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 87.5 mt -59.88 -46.6 88.8 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.137 0.575 . . . . 0.0 109.685 179.083 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.6 ttpp -58.41 -49.75 76.16 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 177.755 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.87 -45.73 82.3 Favored 'General case' 0 C--N 1.341 0.2 0 C-N-CA 123.431 0.693 . . . . 0.0 109.587 -179.866 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 16.4 mt -61.49 -49.4 76.93 Favored 'General case' 0 N--CA 1.443 -0.818 0 O-C-N 121.964 -0.46 . . . . 0.0 111.416 179.542 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.22 -41.68 93.57 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 -179.653 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -56.43 -45.92 80.52 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 177.408 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -60.69 -61.44 2.58 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 178.112 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.4 ' SD ' ' CE1' ' A' ' 7' ' ' TYR . 56.0 mtm -48.7 -41.95 33.36 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 178.97 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.1 t -65.32 -13.42 58.45 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 117.629 -1.177 . . . . 0.0 113.174 -178.649 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 37.4 mtmm -90.75 -3.71 57.24 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 119.729 1.149 . . . . 0.0 111.017 177.67 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.9 mp . . . . . 0 C--O 1.252 1.207 0 CA-C-O 117.202 -1.38 . . . . 0.0 109.236 176.875 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 63.7 t0 . . . . . 0 C--O 1.226 -0.175 0 CA-C-O 119.478 -0.296 . . . . 0.0 111.452 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -51.28 -39.38 43.0 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 109.061 -1.615 . . . . 0.0 109.061 176.177 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.8 -22.5 24.97 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 117.577 -1.202 . . . . 0.0 113.376 179.244 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -95.2 -14.92 23.66 Favored 'General case' 0 C--N 1.345 0.408 0 CA-C-N 120.613 1.551 . . . . 0.0 109.946 -178.146 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.43 -40.62 11.93 Favored 'General case' 0 N--CA 1.428 -1.559 0 C-N-CA 125.117 1.367 . . . . 0.0 107.613 -178.342 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -67.84 -12.99 61.76 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 -179.765 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -49.95 -47.06 52.77 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 119.723 1.147 . . . . 0.0 112.833 -179.629 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.0 p -65.25 -24.07 67.23 Favored 'General case' 0 CA--C 1.533 0.31 0 O-C-N 121.546 -0.721 . . . . 0.0 112.662 -179.586 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.2 m -85.22 -37.82 19.65 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 126.68 1.992 . . . . 0.0 109.702 -176.26 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -45.97 -31.43 1.24 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 C-N-CA 126.463 1.905 . . . . 0.0 110.736 179.32 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -58.02 -42.45 94.97 Favored Glycine 0 CA--C 1.535 1.34 0 O-C-N 121.114 -0.991 . . . . 0.0 112.292 178.163 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.5 t -93.11 -44.72 8.23 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 123.831 0.852 . . . . 0.0 110.044 -179.392 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 -73.96 -9.31 58.51 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.435 1.094 . . . . 0.0 112.937 -178.951 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 71.85 179.67 32.92 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 111.423 -0.671 . . . . 0.0 111.423 179.75 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.35 99.24 0.04 OUTLIER 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 114.426 -0.887 . . . . 0.0 110.122 179.944 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 59.56 62.56 1.72 Allowed 'General case' 0 N--CA 1.437 -1.102 0 C-N-CA 126.609 1.964 . . . . 0.0 110.695 175.873 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 57.5 19.14 32.91 Favored Glycine 0 C--N 1.339 0.699 0 C-N-CA 125.925 1.726 . . . . 0.0 116.724 176.327 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.7 m -80.43 -26.77 38.22 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 118.431 1.115 . . . . 0.0 113.712 -178.471 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -91.37 135.99 33.42 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-N 119.272 0.942 . . . . 0.0 110.377 -178.098 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.5 80.67 2.53 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.835 179.937 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -26.28 118.46 0.07 Allowed 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 128.135 2.574 . . . . 0.0 112.886 179.031 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 20.8 mmt 14.54 -71.38 0.0 OUTLIER 'General case' 0 C--N 1.349 0.562 0 C-N-CA 131.022 3.729 . . . . 0.0 114.503 -178.165 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.08 41.3 1.08 Allowed Glycine 0 CA--C 1.533 1.157 0 CA-C-N 118.892 0.769 . . . . 0.0 111.949 177.706 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 31.2 m 49.63 52.72 14.02 Favored 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 127.099 2.16 . . . . 0.0 111.416 179.467 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.65 135.88 54.91 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 117.778 -1.569 . . . . 0.0 112.231 179.436 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -59.94 118.09 29.3 Favored Pre-proline 0 C--O 1.236 0.344 0 N-CA-C 101.819 -3.4 . . . . 0.0 101.819 173.527 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_exo -31.55 118.29 0.07 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.812 0 C-N-CA 124.123 3.215 . . . . 0.0 112.702 -174.783 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.2 t -59.71 -33.29 51.64 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 N-CA-C 106.171 -1.788 . . . . 0.0 106.171 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 43.8 tttp -61.08 99.92 0.11 Allowed 'General case' 0 N--CA 1.448 -0.549 0 CA-C-O 121.68 0.753 . . . . 0.0 109.899 173.995 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 123.84 -16.26 7.83 Favored Glycine 0 CA--C 1.522 0.491 0 CA-C-N 114.008 -1.451 . . . . 0.0 111.601 178.945 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -67.57 149.04 50.64 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 178.763 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -85.63 146.18 21.4 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 121.208 -0.933 . . . . 0.0 114.516 -175.808 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -49.1 -49.46 41.68 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 118.933 1.366 . . . . 0.0 111.955 -179.347 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -55.9 -48.24 76.01 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 179.734 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -56.37 -64.5 0.84 Allowed 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 124.741 1.216 . . . . 0.0 108.13 179.071 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.3 mt -49.36 -43.38 43.92 Favored 'General case' 0 N--CA 1.444 -0.73 0 C-N-CA 125.736 1.614 . . . . 0.0 112.171 -178.848 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -71.99 -42.11 66.84 Favored 'General case' 0 N--CA 1.445 -0.688 0 O-C-N 121.844 -0.535 . . . . 0.0 110.413 -178.608 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.7 tttp -62.64 -41.28 98.95 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 179.771 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.0 mmtp -67.81 -49.03 64.53 Favored 'General case' 0 N--CA 1.434 -1.228 0 C-N-CA 123.082 0.553 . . . . 0.0 110.231 -178.421 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 69.2 mtm -65.53 -37.29 86.31 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.721 179.44 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -59.47 -45.68 90.96 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 105.971 -1.863 . . . . 0.0 105.971 176.251 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -53.6 -56.63 19.17 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 110.646 -0.982 . . . . 0.0 110.646 177.339 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -62.12 -46.17 90.24 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 118.852 1.326 . . . . 0.0 110.672 -179.614 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.02 -46.05 52.54 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.995 1.318 . . . . 0.0 109.299 179.244 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -92.13 10.3 29.89 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.45 1.1 . . . . 0.0 112.628 -179.259 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 52.6 36.2 47.43 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 124.55 1.072 . . . . 0.0 113.32 -179.796 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 21.9 t -123.21 33.93 5.25 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.74 1.616 . . . . 0.0 112.286 -178.26 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 41.8 t80 . . . . . 0 C--O 1.231 0.082 0 N-CA-C 107.429 -1.323 . . . . 0.0 107.429 178.756 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.3 pttm . . . . . 0 N--CA 1.441 -0.879 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.87 -53.96 46.18 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 122.908 0.483 . . . . 0.0 109.824 -178.81 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -57.68 -46.38 84.38 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 178.928 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 17.1 mmm -55.73 -51.49 67.15 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 123.55 0.74 . . . . 0.0 111.592 179.428 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 82.4 m -56.63 -51.0 70.37 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 179.008 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.46 -35.6 70.36 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 178.476 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.86 -50.45 64.49 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 123.457 0.703 . . . . 0.0 111.142 -179.442 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.3 m -81.5 -27.49 10.19 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 C-N-CA 119.346 -0.941 . . . . 0.0 112.403 -176.153 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -70.24 77.89 0.53 Allowed 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 122.923 1.344 . . . . 0.0 111.761 -178.526 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.1 pttt -168.44 -35.57 0.02 OUTLIER 'General case' 0 N--CA 1.445 -0.718 1 C-N-CA 132.696 4.399 . . . . 0.0 106.655 177.692 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -78.51 -174.66 3.93 Favored 'General case' 0 N--CA 1.435 -1.205 0 CA-C-O 123.176 1.465 . . . . 0.0 109.037 177.205 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 28.6 t -154.27 169.59 23.3 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 128.515 2.726 . . . . 0.0 106.287 -178.5 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -36.31 -52.18 0.81 Allowed 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 125.563 1.545 . . . . 0.0 114.256 -176.651 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -61.74 -53.71 52.39 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 121.166 0.508 . . . . 0.0 110.51 -178.36 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -59.28 -43.74 92.52 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.391 0.676 . . . . 0.0 109.721 179.961 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 48.6 mt -61.19 -47.29 86.84 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.812 0.845 . . . . 0.0 110.212 179.434 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -62.25 -41.06 98.11 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 179.047 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.1 -46.38 84.49 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.746 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.3 mt -54.64 -58.64 6.71 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 177.797 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.07 -39.94 69.8 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 118.851 -0.595 . . . . 0.0 110.352 -177.841 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -58.39 -50.12 74.83 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 177.463 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -57.83 -59.59 5.01 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 178.679 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.2 mtp -51.87 -38.39 55.89 Favored 'General case' 0 CA--C 1.539 0.558 0 O-C-N 121.567 -0.708 . . . . 0.0 112.776 178.282 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.8 t -73.91 -9.5 58.7 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 120.812 -1.18 . . . . 0.0 112.711 179.556 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 24.1 ttpp -94.15 -5.26 47.53 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 177.827 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 91.9 mt . . . . . 0 C--O 1.25 1.107 0 CA-C-O 117.124 -1.417 . . . . 0.0 109.581 178.084 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 CA--C 1.529 0.138 0 CA-C-O 121.87 0.843 . . . . 0.0 112.717 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -50.88 -50.83 36.55 Favored Glycine 0 CA--C 1.526 0.768 0 CA-C-N 115.337 -0.847 . . . . 0.0 112.005 -179.098 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.0 -19.87 63.3 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.717 -0.872 . . . . 0.0 112.986 -179.423 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.81 -49.3 6.91 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 178.608 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 89.4 mt -58.51 -44.68 89.58 Favored 'General case' 0 N--CA 1.439 -0.977 0 CA-C-O 119.245 -0.407 . . . . 0.0 110.384 -179.395 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -63.94 -13.82 48.82 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 118.445 -1.302 . . . . 0.0 114.41 -177.912 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -59.32 -31.79 69.48 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 119.804 1.184 . . . . 0.0 110.185 177.915 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.2 m -75.45 -3.13 32.12 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.69 -0.631 . . . . 0.0 112.689 179.094 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.4 m -111.77 -35.46 5.73 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 126.77 2.028 . . . . 0.0 111.162 -176.899 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.8 tp -41.56 -34.51 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 C-N-CA 126.44 1.896 . . . . 0.0 112.523 -179.269 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -50.21 -46.09 43.47 Favored Glycine 0 CA--C 1.533 1.171 0 C-N-CA 123.725 0.679 . . . . 0.0 112.816 179.242 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 10.6 m -85.79 -43.94 12.91 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 118.104 0.952 . . . . 0.0 110.674 -179.5 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 69.6 m-70 -74.32 -10.91 60.06 Favored 'General case' 0 N--CA 1.434 -1.25 0 C-N-CA 126.621 1.968 . . . . 0.0 115.768 -176.121 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.15 147.49 3.94 Favored Glycine 0 CA--C 1.527 0.806 0 N-CA-C 109.662 -1.375 . . . . 0.0 109.662 -179.045 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.67 64.25 4.48 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 106.648 -1.612 . . . . 0.0 106.648 176.632 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.6 p30 179.17 -21.38 0.0 OUTLIER 'General case' 0 N--CA 1.435 -1.208 0 C-N-CA 129.915 3.286 . . . . 0.0 112.241 -174.567 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 69.12 -1.05 12.29 Favored Glycine 0 C--N 1.339 0.75 0 CA-C-N 120.3 1.409 . . . . 0.0 115.521 179.305 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.9 p -89.63 -27.43 20.18 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 123.98 0.912 . . . . 0.0 109.386 179.552 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.0 tttm -58.85 115.82 3.35 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 178.195 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.08 83.39 0.22 Allowed 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 -179.771 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -36.23 128.65 0.73 Allowed 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 126.321 1.848 . . . . 0.0 114.598 -177.181 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 26.4 mmt 24.38 -82.03 0.0 OUTLIER 'General case' 0 C--N 1.343 0.295 0 C-N-CA 130.197 3.399 . . . . 0.0 113.154 179.073 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.95 46.37 2.08 Favored Glycine 0 CA--C 1.532 1.096 0 N-CA-C 111.835 -0.506 . . . . 0.0 111.835 178.749 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.4 m 49.02 54.95 10.05 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 126.419 1.888 . . . . 0.0 111.43 178.207 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.12 146.74 37.65 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 -178.604 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.2 mtmm -60.37 127.26 86.2 Favored Pre-proline 0 CA--C 1.537 0.468 0 N-CA-C 103.737 -2.69 . . . . 0.0 103.737 173.938 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo -46.51 108.34 0.15 Allowed 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 123.167 2.578 . . . . 0.0 110.268 -176.757 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.1 t -57.54 -38.73 65.32 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 C-N-CA 123.956 0.902 . . . . 0.0 109.149 -177.118 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.1 ttmm -38.97 100.29 0.02 OUTLIER 'General case' 0 C--N 1.342 0.251 0 CA-C-O 122.896 1.331 . . . . 0.0 113.821 179.869 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 59.21 45.64 95.05 Favored Glycine 0 N--CA 1.444 -0.78 0 CA-C-N 112.463 -2.153 . . . . 0.0 110.139 177.664 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -55.34 -44.44 75.9 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 -178.919 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -172.83 -107.27 0.2 Allowed Glycine 0 CA--C 1.531 1.039 0 C-N-CA 128.008 2.718 . . . . 0.0 106.335 174.648 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 174.7 -56.8 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 130.874 3.669 . . . . 0.0 101.946 176.851 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -64.24 -42.21 96.64 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 105.682 -1.97 . . . . 0.0 105.682 173.075 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -57.97 -64.2 0.99 Allowed 'General case' 0 C--N 1.343 0.319 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 177.759 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 24.3 mt -45.76 -48.83 15.38 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 125.213 1.405 . . . . 0.0 110.626 179.008 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -61.37 -55.23 33.87 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 123.959 0.903 . . . . 0.0 111.378 179.668 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -56.55 -42.17 78.08 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.139 0.575 . . . . 0.0 110.007 -179.244 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 57.5 mmtt -64.56 -55.33 21.16 Favored 'General case' 0 N--CA 1.438 -1.055 0 C-N-CA 123.637 0.775 . . . . 0.0 110.176 -178.736 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.52 -39.91 89.56 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 -179.444 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -60.55 -43.6 97.05 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 178.058 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -51.84 -46.66 54.69 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 109.619 -1.392 . . . . 0.0 109.619 176.629 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -69.57 -40.49 76.72 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 118.11 0.955 . . . . 0.0 109.977 177.995 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.09 -52.99 59.24 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 124.568 1.147 . . . . 0.0 110.621 -179.703 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -81.33 -26.68 35.42 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.191 0.597 . . . . 0.0 110.942 179.651 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.45 5.89 55.42 Favored Glycine 0 CA--C 1.53 1.016 0 C-N-CA 124.629 1.109 . . . . 0.0 113.958 178.21 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.2 t -84.9 28.38 0.69 Allowed 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 119.206 1.503 . . . . 0.0 111.492 -179.853 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 13.2 t80 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 105.03 -2.211 . . . . 0.0 105.03 -179.747 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.7 mtmt . . . . . 0 N--CA 1.434 -1.251 0 N-CA-C 110.523 -0.177 . . . . 0.0 110.523 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.13 -47.2 65.72 Favored 'General case' 0 C--O 1.233 0.21 0 O-C-N 120.81 -1.181 . . . . 0.0 108.117 178.062 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.6 mpp? -57.67 -44.55 85.83 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.981 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 31.3 mmm -52.99 -64.11 0.93 Allowed 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 124.066 0.946 . . . . 0.0 109.134 177.801 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 90.4 m -44.28 -50.58 8.89 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.819 1.248 . . . . 0.0 109.856 178.015 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -61.01 -43.89 98.22 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 119.48 -0.295 . . . . 0.0 111.696 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.09 -41.5 86.2 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-O 121.694 0.759 . . . . 0.0 110.971 -178.747 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 66.2 t -71.49 -38.35 67.75 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.631 0 C-N-CA 126.153 1.781 . . . . 0.0 113.16 -177.571 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.0 tppt? -45.39 -34.64 3.17 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -176.428 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 25.7 pttm -74.02 -15.46 61.09 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 -178.235 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -84.37 176.1 8.92 Favored 'General case' 0 N--CA 1.44 -0.969 0 CA-C-O 123.607 1.67 . . . . 0.0 111.397 -178.925 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.2 t -137.56 167.76 21.02 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 128.009 2.524 . . . . 0.0 107.815 178.557 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -40.4 -51.88 2.79 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 126.254 1.822 . . . . 0.0 113.197 -177.406 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -60.19 -47.88 84.07 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-O 121.377 0.608 . . . . 0.0 110.606 -179.042 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -63.79 -45.63 88.87 Favored 'General case' 0 N--CA 1.445 -0.695 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 -178.574 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 47.6 mt -58.85 -50.75 72.84 Favored 'General case' 0 N--CA 1.457 -0.096 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 177.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -57.87 -43.2 85.84 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 123.056 0.543 . . . . 0.0 110.001 -179.819 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.78 -47.12 76.24 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 -179.742 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 11.9 mt -58.89 -49.35 78.1 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 179.727 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.49 -49.34 77.95 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 -179.412 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -51.7 -45.54 63.56 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 176.457 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -62.86 -58.99 5.5 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 178.208 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 68.0 mtm -48.21 -30.39 4.65 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 118.911 0.778 . . . . 0.0 112.691 177.551 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.9 t -54.85 -36.58 65.22 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.17 -0.956 . . . . 0.0 109.802 177.457 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -122.37 45.71 2.3 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 127.548 2.339 . . . . 0.0 108.475 179.455 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.105 0 C-N-CA 126.231 1.812 . . . . 0.0 111.26 -178.885 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 . . . . . 0 CA--C 1.535 0.369 0 N-CA-C 106.616 -1.624 . . . . 0.0 106.616 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 75.33 81.43 0.51 Allowed Glycine 0 N--CA 1.441 -1.006 1 N-CA-C 101.472 -4.651 . . . . 0.0 101.472 -171.308 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 119.66 -31.67 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 130.256 3.422 . . . . 0.0 107.517 -174.414 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.63 -19.8 23.26 Favored 'General case' 0 C--N 1.346 0.431 0 C-N-CA 118.753 -1.179 . . . . 0.0 110.352 -177.805 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 16.1 mt -88.68 -21.87 23.69 Favored 'General case' 0 N--CA 1.434 -1.269 0 C-N-CA 118.869 -1.132 . . . . 0.0 108.218 -177.631 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -84.97 -9.21 58.29 Favored 'General case' 0 C--N 1.346 0.431 0 N-CA-C 114.922 1.452 . . . . 0.0 114.922 -178.055 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -51.3 -48.4 62.31 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 119.463 1.028 . . . . 0.0 112.44 -178.253 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.8 m -76.33 27.49 0.12 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.696 1.198 . . . . 0.0 113.267 -178.29 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.0 m -130.5 -36.31 1.45 Allowed 'General case' 0 C--O 1.235 0.322 0 C-N-CA 126.196 1.799 . . . . 0.0 108.931 -177.947 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 23.6 mm -45.46 -33.7 1.38 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 C-N-CA 126.445 1.898 . . . . 0.0 110.607 178.017 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -52.64 -45.19 60.18 Favored Glycine 0 CA--C 1.535 1.341 0 CA-C-N 118.539 0.608 . . . . 0.0 112.191 178.269 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 11.8 m -90.59 -43.29 10.28 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 117.779 0.789 . . . . 0.0 111.233 -179.473 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 60.8 m-70 -80.6 -32.41 36.43 Favored 'General case' 0 N--CA 1.436 -1.167 0 N-CA-C 116.618 2.081 . . . . 0.0 116.618 -174.392 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 94.48 158.93 33.59 Favored Glycine 0 CA--C 1.528 0.866 0 N-CA-C 109.421 -1.471 . . . . 0.0 109.421 -177.47 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.74 -43.19 12.74 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 125.089 1.356 . . . . 0.0 113.463 -178.091 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.8 p-10 -109.54 26.45 10.63 Favored 'General case' 0 N--CA 1.435 -1.22 0 C-N-CA 127.903 2.481 . . . . 0.0 110.739 -178.634 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 44.14 40.89 6.01 Favored Glycine 0 CA--C 1.528 0.874 0 C-N-CA 124.937 1.256 . . . . 0.0 114.191 179.078 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.1 p -91.08 -32.08 16.01 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 125.217 1.407 . . . . 0.0 112.353 -178.51 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -64.53 121.72 15.09 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 -178.242 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.99 82.08 1.72 Allowed 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 106.464 -1.68 . . . . 0.0 106.464 177.631 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.76 145.93 4.85 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 125.203 1.401 . . . . 0.0 114.68 -176.425 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 13.6 mmt 27.8 -89.34 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 129.634 3.174 . . . . 0.0 114.43 179.154 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.37 -33.76 53.55 Favored Glycine 0 CA--C 1.526 0.767 0 C-N-CA 123.547 0.594 . . . . 0.0 113.272 -178.525 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 41.5 t 122.16 60.2 0.0 OUTLIER 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 130.758 3.623 . . . . 0.0 105.251 -178.642 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.58 134.45 24.23 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 -177.435 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.6 mtmm -60.11 121.12 56.7 Favored Pre-proline 0 N--CA 1.451 -0.41 0 N-CA-C 102.811 -3.033 . . . . 0.0 102.811 174.334 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -31.68 103.14 0.03 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 124.387 3.391 . . . . 0.0 113.039 -177.356 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.4 t -53.98 -34.3 25.8 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 -179.326 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.8 tmtm? -37.17 90.59 0.0 OUTLIER 'General case' 0 CA--C 1.52 -0.178 0 C-N-CA 127.907 2.483 . . . . 0.0 114.547 175.289 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 65.19 44.31 94.1 Favored Glycine 0 N--CA 1.444 -0.795 0 CA-C-N 111.932 -2.395 . . . . 0.0 110.476 177.551 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -52.51 -43.2 64.94 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 179.408 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.4 -118.94 0.56 Allowed Glycine 0 CA--C 1.531 1.08 0 C-N-CA 128.437 2.922 . . . . 0.0 105.906 173.702 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -167.26 -58.75 0.03 OUTLIER 'General case' 0 C--O 1.222 -0.369 0 C-N-CA 129.518 3.127 . . . . 0.0 102.563 174.831 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -42.45 99.25 Favored 'General case' 0 N--CA 1.422 -1.853 0 C-N-CA 125.995 1.718 . . . . 0.0 106.584 173.229 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -56.36 -65.26 0.64 Allowed 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 125.784 1.634 . . . . 0.0 108.447 177.786 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.1 mt -48.84 -48.24 41.93 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.338 1.455 . . . . 0.0 110.982 178.463 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -61.94 -48.96 78.08 Favored 'General case' 0 C--O 1.225 -0.207 0 C-N-CA 124.857 1.263 . . . . 0.0 111.293 -179.649 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.9 ttpp -60.5 -42.5 96.48 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 179.369 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 25.3 mttp -61.71 -52.18 65.35 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 123.264 0.626 . . . . 0.0 109.957 -179.665 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 70.5 mtm -65.52 -37.73 87.62 Favored 'General case' 0 C--O 1.219 -0.552 0 CA-C-O 118.091 -0.957 . . . . 0.0 111.197 179.328 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -60.27 -44.21 95.52 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 106.885 -1.524 . . . . 0.0 106.885 177.637 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -53.24 -56.43 19.37 Favored Glycine 0 CA--C 1.528 0.873 0 N-CA-C 109.586 -1.406 . . . . 0.0 109.586 176.838 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -62.56 -43.14 99.54 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 118.478 1.139 . . . . 0.0 111.252 179.538 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.78 -46.35 59.56 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 125.535 1.534 . . . . 0.0 109.029 -179.824 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -88.82 7.08 35.97 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.879 1.272 . . . . 0.0 112.665 -179.442 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 56.96 39.24 88.79 Favored Glycine 0 CA--C 1.531 1.043 0 CA-C-N 119.258 0.935 . . . . 0.0 112.04 -179.835 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.4 t -131.33 42.15 3.24 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.258 1.423 . . . . 0.0 110.838 -178.487 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 34.0 t80 . . . . . 0 C--O 1.231 0.13 0 N-CA-C 106.952 -1.499 . . . . 0.0 106.952 177.258 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.9 pttm . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.71 -56.3 21.18 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 123.192 0.597 . . . . 0.0 110.542 -179.122 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 26.2 mmt -57.59 -47.9 80.85 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 179.121 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.1 mmm -54.27 -52.18 62.22 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.557 179.67 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 70.0 m -56.08 -50.97 69.52 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 179.557 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -56.45 -39.71 73.61 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 118.164 0.438 . . . . 0.0 110.149 178.89 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.83 -44.82 88.59 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 123.255 0.622 . . . . 0.0 112.595 -179.162 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.5 m -89.75 -31.94 5.46 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 CA-C-N 119.551 1.069 . . . . 0.0 113.516 -176.505 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 36.8 tttp -54.86 -26.85 38.21 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 118.983 0.81 . . . . 0.0 113.109 -175.39 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 47.6 pttt -68.21 -16.02 63.81 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 117.966 0.348 . . . . 0.0 111.703 178.567 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -93.11 -166.38 1.52 Allowed 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 125.289 1.436 . . . . 0.0 109.089 178.609 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 56.7 m -148.56 153.77 38.84 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 126.508 1.923 . . . . 0.0 108.909 179.572 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -29.47 -53.37 0.13 Allowed 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 126.966 2.106 . . . . 0.0 115.318 -176.871 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -62.58 -46.41 88.45 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 121.639 0.733 . . . . 0.0 110.37 -178.734 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -60.52 -44.7 95.75 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 107.629 -1.248 . . . . 0.0 107.629 178.248 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 80.7 mt -56.63 -43.87 80.68 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 118.08 0.4 . . . . 0.0 110.033 178.299 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -60.66 -44.44 96.44 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 122.199 -0.313 . . . . 0.0 110.26 179.124 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.15 -46.4 81.06 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 122.139 0.971 . . . . 0.0 109.575 -179.28 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 30.7 tp -59.5 -47.59 84.93 Favored 'General case' 0 N--CA 1.435 -1.216 0 C-N-CA 124.651 1.18 . . . . 0.0 110.737 -179.084 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.04 -48.04 75.27 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.81 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -51.7 -42.63 62.35 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 176.87 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -62.19 -55.74 25.55 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 177.465 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 47.8 mtm -48.55 -37.08 16.86 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 118.428 0.558 . . . . 0.0 111.597 178.235 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.5 t -55.68 -31.3 62.3 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.331 -0.856 . . . . 0.0 111.862 178.44 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 41.0 mmtm -91.85 10.78 27.25 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.033 0.933 . . . . 0.0 112.992 -178.682 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 78.5 mt . . . . . 0 C--O 1.253 1.261 0 CA-C-O 117.7 -1.143 . . . . 0.0 110.245 178.605 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 21.5 t0 . . . . . 0 CA--C 1.529 0.146 0 CA-C-O 120.9 0.381 . . . . 0.0 110.631 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.7 -36.51 79.23 Favored Glycine 0 N--CA 1.448 -0.511 0 CA-C-O 119.078 -0.846 . . . . 0.0 112.492 178.021 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.49 -23.69 62.98 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-N 118.806 1.303 . . . . 0.0 110.621 177.591 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.87 -29.23 17.64 Favored 'General case' 0 N--CA 1.443 -0.814 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 177.935 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 93.4 mt -73.12 -42.13 63.24 Favored 'General case' 0 N--CA 1.444 -0.73 0 C-N-CA 118.619 -1.232 . . . . 0.0 108.989 -179.383 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -64.75 -9.93 23.89 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 114.96 1.467 . . . . 0.0 114.96 -177.623 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -53.32 -33.66 54.34 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 119.167 0.894 . . . . 0.0 109.988 177.759 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.8 p -72.14 8.66 1.2 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.182 0.993 . . . . 0.0 113.073 178.382 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.9 m -130.79 -35.69 1.43 Allowed 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 125.086 1.354 . . . . 0.0 109.904 -173.441 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.0 mm -43.14 -37.22 0.87 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 C-N-CA 125.488 1.515 . . . . 0.0 110.906 177.142 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -47.82 -40.81 19.35 Favored Glycine 0 CA--C 1.535 1.304 0 CA-C-N 118.124 0.42 . . . . 0.0 112.157 178.097 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 34.2 m -99.68 -46.25 5.49 Favored 'General case' 0 C--N 1.339 0.137 0 C-N-CA 123.763 0.825 . . . . 0.0 110.522 178.935 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -74.33 -11.22 60.2 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 114.827 1.417 . . . . 0.0 114.827 -175.639 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 72.95 118.67 0.07 OUTLIER Glycine 0 CA--C 1.533 1.187 0 N-CA-C 119.11 2.404 . . . . 0.0 119.11 174.308 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 54.52 -76.64 0.01 OUTLIER 'General case' 0 C--N 1.341 0.215 0 C-N-CA 128.541 2.737 . . . . 0.0 113.375 176.943 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -112.23 -29.33 7.6 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 126.834 2.054 . . . . 0.0 110.645 -179.265 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 134.35 32.41 0.34 Allowed Glycine 0 CA--C 1.537 1.417 0 C-N-CA 128.707 3.051 . . . . 0.0 111.57 178.982 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.7 m -87.61 -22.41 24.77 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 114.685 1.365 . . . . 0.0 114.685 -176.633 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.7 ttmm -78.42 143.23 36.95 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.864 0.84 . . . . 0.0 111.26 -178.012 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.66 80.65 1.53 Allowed 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 106.309 -1.737 . . . . 0.0 106.309 175.823 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -41.16 136.72 1.51 Allowed 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 116.264 1.95 . . . . 0.0 116.264 -176.037 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 42.3 tpp 17.79 -49.45 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.644 1 C-N-CA 134.72 5.208 . . . . 0.0 118.86 176.526 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.15 -30.8 44.94 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 120.725 -1.234 . . . . 0.0 110.222 177.852 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 60.8 m 117.34 55.19 0.0 OUTLIER 'General case' 0 CA--C 1.528 0.114 1 C-N-CA 132.655 4.382 . . . . 0.0 105.295 -178.218 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.86 156.1 11.96 Favored 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 115.602 1.705 . . . . 0.0 115.602 -176.524 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.6 mtmm -68.33 127.95 93.19 Favored Pre-proline 0 N--CA 1.446 -0.637 0 N-CA-C 100.793 -3.78 . . . . 0.0 100.793 170.924 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -52.45 117.78 3.99 Favored 'Trans proline' 0 N--CA 1.455 -0.742 0 CA-C-N 121.595 1.605 . . . . 0.0 109.243 -178.21 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.1 m -60.29 -23.39 27.67 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 -179.372 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.3 tttp -53.34 93.2 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.525 0 CA-C-O 123.288 1.518 . . . . 0.0 111.91 173.889 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 83.09 31.13 29.4 Favored Glycine 0 N--CA 1.442 -0.908 0 CA-C-N 112.306 -2.225 . . . . 0.0 111.799 177.445 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -65.44 -36.63 84.49 Favored 'General case' 0 N--CA 1.437 -1.124 0 N-CA-C 106.273 -1.751 . . . . 0.0 106.273 177.272 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 123.75 121.94 2.67 Favored Glycine 0 C--O 1.218 -0.852 0 C-N-CA 127.851 2.643 . . . . 0.0 109.708 176.24 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.25 -47.6 12.83 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 120.611 2.206 . . . . 0.0 112.46 -178.454 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -59.49 -44.72 93.01 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 179.375 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.89 -63.76 1.14 Allowed 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 126.209 1.804 . . . . 0.0 108.17 179.886 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 27.6 mt -48.32 -45.58 35.31 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 126.935 2.094 . . . . 0.0 110.503 179.873 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -70.54 -45.7 65.01 Favored 'General case' 0 N--CA 1.45 -0.455 0 O-C-N 122.092 -0.38 . . . . 0.0 111.517 -179.053 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -59.88 -41.1 90.84 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 179.25 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -64.93 -50.06 67.96 Favored 'General case' 0 N--CA 1.438 -1.062 0 C-N-CA 124.015 0.926 . . . . 0.0 109.899 179.939 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 55.6 mtm -62.57 -36.95 84.29 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-O 117.832 -1.08 . . . . 0.0 110.276 178.634 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.29 -48.31 80.89 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 106.818 -1.549 . . . . 0.0 106.818 176.576 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -51.52 -51.7 36.55 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 177.66 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -69.38 -35.48 75.86 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 118.313 1.057 . . . . 0.0 111.477 179.15 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.34 -53.45 57.14 Favored 'General case' 0 CA--C 1.522 -0.099 0 C-N-CA 124.923 1.289 . . . . 0.0 108.796 -178.854 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -76.26 -37.65 57.31 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 177.918 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.96 22.35 8.02 Favored Glycine 0 CA--C 1.532 1.098 0 C-N-CA 125.503 1.525 . . . . 0.0 112.994 178.746 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.3 t -102.97 38.97 1.63 Allowed 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.615 1.166 . . . . 0.0 110.381 -179.885 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 39.1 t80 . . . . . 0 N--CA 1.455 -0.215 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 179.66 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 53.1 pttt . . . . . 0 C--O 1.226 -0.155 0 N-CA-C 113.451 0.908 . . . . 0.0 113.451 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.59 -51.29 63.5 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 122.091 0.156 . . . . 0.0 110.783 -178.368 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 93.9 mmm -57.61 -46.74 83.7 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 179.019 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 39.9 mmm -56.82 -63.09 1.32 Allowed 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.144 179.676 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 99.1 m -47.33 -48.14 25.5 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 124.723 1.209 . . . . 0.0 110.166 178.222 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.74 -42.12 92.47 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 118.339 0.518 . . . . 0.0 110.769 179.967 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.11 -30.55 60.9 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.35 0.523 . . . . 0.0 112.234 -178.648 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 79.6 t -86.07 -51.6 13.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 125.413 1.485 . . . . 0.0 114.079 -176.241 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -48.77 -30.61 5.85 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.86 1.264 . . . . 0.0 113.314 -176.884 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 25.2 pttm -69.26 -21.46 63.9 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 118.846 0.748 . . . . 0.0 112.673 -179.925 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -86.03 167.67 14.81 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-O 123.852 1.787 . . . . 0.0 111.385 -179.091 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 92.4 p -97.3 166.31 11.61 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 128.632 2.773 . . . . 0.0 109.366 178.643 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -57.95 -37.82 74.83 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 177.46 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.24 -54.16 28.32 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.514 1.126 . . . . 0.0 109.201 179.476 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.53 -48.17 72.27 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 178.633 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 83.1 mt -60.48 -42.51 96.41 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 179.11 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 16.6 ttmm -59.88 -48.59 81.09 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 121.678 -0.639 . . . . 0.0 109.402 179.038 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.51 -42.9 97.33 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 -179.728 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.4 mt -61.33 -47.98 83.44 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-O 119.203 -0.427 . . . . 0.0 111.181 179.188 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.34 -43.74 96.87 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 -179.292 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -54.34 -50.74 66.73 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 178.044 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -57.59 -59.45 5.16 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 122.941 0.496 . . . . 0.0 109.729 178.586 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 54.6 mtm -49.18 -44.42 43.0 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.665 0.666 . . . . 0.0 112.361 179.05 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.5 t -64.58 -7.12 9.2 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 117.848 -1.072 . . . . 0.0 112.982 -179.051 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -110.83 9.17 22.53 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.841 1.256 . . . . 0.0 111.638 178.963 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.253 1.256 0 CA-C-O 117.509 -1.234 . . . . 0.0 109.292 176.498 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.5 t70 . . . . . 0 CA--C 1.53 0.205 0 CA-C-O 120.503 0.192 . . . . 0.0 110.686 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.59 -60.81 7.25 Favored Glycine 0 N--CA 1.447 -0.611 0 N-CA-C 109.711 -1.356 . . . . 0.0 109.711 179.558 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -48.05 -44.83 31.56 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 117.25 0.525 . . . . 0.0 110.962 -179.604 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.02 -44.59 78.89 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-O 119.494 -0.289 . . . . 0.0 111.69 -179.616 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 51.9 mt -69.86 -47.28 63.23 Favored 'General case' 0 N--CA 1.439 -1.007 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 179.197 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -53.42 -23.93 11.18 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.375 1.07 . . . . 0.0 113.883 -178.078 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -52.46 -35.47 52.58 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.387 -0.82 . . . . 0.0 110.416 176.719 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 m -69.09 -5.25 20.93 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.36 1.064 . . . . 0.0 113.37 -179.486 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.7 m -112.7 -37.93 4.74 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 127.312 2.245 . . . . 0.0 111.157 -175.203 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.1 mp -45.86 -29.34 0.89 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 125.726 1.611 . . . . 0.0 112.387 -179.903 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -55.31 -45.6 82.62 Favored Glycine 0 CA--C 1.536 1.359 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 177.223 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.3 m -89.47 -41.57 11.98 Favored 'General case' 0 C--N 1.339 0.12 0 O-C-N 122.157 -0.614 . . . . 0.0 110.034 179.187 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 84.7 m-70 -73.89 -9.83 59.04 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 113.539 0.94 . . . . 0.0 113.539 -177.297 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.95 90.37 0.02 OUTLIER Glycine 0 CA--C 1.524 0.606 0 N-CA-C 116.68 1.432 . . . . 0.0 116.68 175.03 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 66.12 -47.54 0.42 Allowed 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 127.069 2.148 . . . . 0.0 114.7 175.96 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 43.6 p-10 -134.81 -74.84 0.46 Allowed 'General case' 0 N--CA 1.436 -1.128 0 C-N-CA 126.474 1.91 . . . . 0.0 109.211 -179.742 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 176.84 26.54 0.03 OUTLIER Glycine 0 CA--C 1.524 0.642 0 C-N-CA 126.015 1.769 . . . . 0.0 109.761 179.917 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.7 p -79.42 -51.86 8.82 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 125.537 1.535 . . . . 0.0 108.297 -179.994 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -56.16 119.95 6.75 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.032 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.15 84.35 0.53 Allowed 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 106.771 -1.566 . . . . 0.0 106.771 178.54 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -35.63 126.91 0.66 Allowed 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 125.593 1.557 . . . . 0.0 114.099 -175.441 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 85.6 mmm 16.74 -74.95 0.0 OUTLIER 'General case' 0 C--N 1.344 0.348 0 C-N-CA 130.883 3.673 . . . . 0.0 113.246 179.727 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.4 46.21 1.89 Allowed Glycine 0 CA--C 1.534 1.258 0 N-CA-C 111.542 -0.623 . . . . 0.0 111.542 176.978 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.1 m 45.78 52.42 9.63 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 126.826 2.05 . . . . 0.0 112.578 178.611 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.97 135.14 56.17 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 118.736 -1.186 . . . . 0.0 112.596 179.887 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 31.9 mmtt -67.08 117.2 43.69 Favored Pre-proline 0 CA--C 1.535 0.403 0 N-CA-C 102.566 -3.124 . . . . 0.0 102.566 176.736 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 0.8 OUTLIER -20.6 103.62 0.01 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.643 1 C-N-CA 125.993 4.462 . . . . 0.0 115.616 -174.873 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 37.7 t -57.24 -35.22 47.9 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 N-CA-C 106.675 -1.602 . . . . 0.0 106.675 177.699 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -65.5 92.82 0.14 Allowed 'General case' 0 CA--C 1.514 -0.406 0 CA-C-O 122.38 1.086 . . . . 0.0 108.291 174.723 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 131.55 -14.31 5.31 Favored Glycine 0 CA--C 1.523 0.565 0 CA-C-N 112.716 -2.038 . . . . 0.0 112.507 179.274 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -66.9 147.41 53.27 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 119.15 1.475 . . . . 0.0 107.483 178.909 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -88.41 146.3 19.44 Favored Glycine 0 CA--C 1.53 1.01 0 CA-C-O 118.951 -0.916 . . . . 0.0 113.982 -175.84 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.62 -49.29 14.39 Favored 'General case' 0 C--N 1.343 0.318 0 CA-C-N 119.309 1.555 . . . . 0.0 112.644 -178.493 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -59.06 -42.98 91.63 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 -179.649 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -60.13 -63.93 1.13 Allowed 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 124.992 1.317 . . . . 0.0 107.755 179.254 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 37.7 mt -46.75 -46.06 20.16 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 126.752 2.021 . . . . 0.0 110.705 -179.273 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -71.0 -47.29 59.64 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 123.287 0.635 . . . . 0.0 111.556 -179.342 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.53 -41.16 89.38 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 179.594 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp -65.15 -51.18 62.72 Favored 'General case' 0 N--CA 1.437 -1.099 0 C-N-CA 124.654 1.181 . . . . 0.0 109.963 -179.457 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 58.2 mtm -62.67 -38.44 90.35 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-O 117.622 -1.18 . . . . 0.0 109.798 178.632 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -59.46 -45.09 92.62 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 120.74 1.609 . . . . 0.0 106.803 176.25 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -50.26 -49.69 36.98 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 124.363 0.983 . . . . 0.0 110.9 177.07 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -71.26 -54.6 10.34 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.247 -1.149 . . . . 0.0 109.842 179.009 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -40.93 -53.85 2.85 Favored 'General case' 0 CA--C 1.527 0.083 0 C-N-CA 128.101 2.56 . . . . 0.0 111.533 -178.795 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -160.44 53.2 0.32 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.02 0.928 . . . . 0.0 110.197 -177.028 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -155.15 20.66 0.56 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 120.556 -1.34 . . . . 0.0 112.339 178.399 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.1 t 39.06 42.28 0.67 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 128.337 2.655 . . . . 0.0 112.931 179.069 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 31.0 t80 . . . . . 0 CA--C 1.535 0.399 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 176.888 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 25.0 pttm . . . . . 0 N--CA 1.437 -1.105 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.7 -51.69 63.92 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 122.51 0.324 . . . . 0.0 110.588 -178.254 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 42.0 tpp -59.28 -46.59 88.11 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 178.932 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 44.0 mmm -55.16 -59.97 4.03 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.929 -179.738 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 35.1 m -52.98 -43.67 66.6 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 123.656 0.782 . . . . 0.0 110.276 178.195 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.95 -43.7 98.32 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 119.488 1.04 . . . . 0.0 110.634 179.506 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.7 -42.54 73.94 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-O 121.48 0.657 . . . . 0.0 111.706 -178.572 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 76.6 t -74.4 -44.07 48.64 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 C-N-CA 126.16 1.784 . . . . 0.0 113.259 -176.72 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.3 tptm -53.78 -32.95 54.32 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.199 1.0 . . . . 0.0 113.033 -177.132 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.4 pttp -74.64 -8.5 56.57 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 118.84 0.745 . . . . 0.0 112.286 -179.946 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -97.39 -179.41 4.48 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-O 122.622 1.201 . . . . 0.0 108.668 178.506 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 35.2 t -136.06 170.65 15.67 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 126.96 2.104 . . . . 0.0 109.112 179.161 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -41.98 -49.84 4.61 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 125.705 1.602 . . . . 0.0 112.828 -177.413 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -61.87 -48.71 79.29 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.167 0.587 . . . . 0.0 110.63 -178.639 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -61.39 -47.01 87.78 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.444 0.698 . . . . 0.0 109.419 179.882 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 88.2 mt -60.52 -45.04 95.28 Favored 'General case' 0 CA--C 1.528 0.124 0 N-CA-C 109.616 -0.512 . . . . 0.0 109.616 179.267 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -61.0 -42.9 99.33 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 178.889 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.99 -48.15 77.53 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 -179.824 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 15.4 mt -58.53 -51.96 67.67 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-O 119.147 -0.454 . . . . 0.0 110.864 179.423 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.44 -41.17 98.53 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-O 118.818 -0.611 . . . . 0.0 110.083 -178.478 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -54.4 -49.54 69.66 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 177.413 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -60.55 -59.31 5.61 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 178.553 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 71.5 mtm -50.83 -29.63 12.24 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 177.825 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.2 t -72.07 -23.28 61.33 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 120.743 -1.223 . . . . 0.0 112.34 -179.803 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -110.54 27.34 9.74 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 118.83 0.741 . . . . 0.0 109.283 177.984 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 21.4 tp . . . . . 0 C--O 1.25 1.094 0 C-N-CA 127.092 2.157 . . . . 0.0 111.273 -179.735 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 . . . . . 0 CA--C 1.512 -0.497 0 CA-C-O 118.491 -0.766 . . . . 0.0 110.513 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -36.54 -48.22 1.23 Allowed Glycine 0 C--N 1.339 0.721 0 C-N-CA 126.204 1.859 . . . . 0.0 112.78 -179.09 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -49.34 -28.87 5.38 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 179.848 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -85.71 -29.81 23.63 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 119.126 0.875 . . . . 0.0 109.752 -178.415 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.4 mp -74.61 -39.41 62.17 Favored 'General case' 0 N--CA 1.439 -1.012 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 -179.745 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -69.15 -14.13 62.82 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 115.738 1.755 . . . . 0.0 115.738 -178.246 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -50.48 -46.15 56.74 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 119.393 0.997 . . . . 0.0 112.91 -177.881 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.31 -23.58 67.35 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.46 0.704 . . . . 0.0 112.757 179.827 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.9 m -85.63 -35.99 20.61 Favored 'General case' 0 CA--C 1.515 -0.369 0 C-N-CA 125.799 1.64 . . . . 0.0 109.838 -177.249 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -48.64 -31.63 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 C-N-CA 124.774 1.23 . . . . 0.0 110.54 179.357 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -58.64 -43.6 96.12 Favored Glycine 0 CA--C 1.535 1.335 0 CA-C-N 118.473 0.579 . . . . 0.0 112.073 177.895 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.3 m -90.38 -39.1 12.88 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 117.939 0.869 . . . . 0.0 111.702 -178.568 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -91.0 -23.54 20.36 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 115.145 1.535 . . . . 0.0 115.145 -176.481 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 86.44 156.24 28.06 Favored Glycine 0 CA--C 1.527 0.796 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.208 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.06 -43.81 63.99 Favored 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 123.642 0.777 . . . . 0.0 110.269 179.656 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 51.8 p30 -87.89 12.62 12.69 Favored 'General case' 0 N--CA 1.437 -1.105 0 C-N-CA 126.631 1.972 . . . . 0.0 113.209 -179.996 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 48.24 19.97 1.3 Allowed Glycine 0 CA--C 1.527 0.806 0 C-N-CA 125.49 1.519 . . . . 0.0 115.443 -179.727 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.3 m -95.52 -10.14 30.51 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 117.941 0.871 . . . . 0.0 112.733 -176.309 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -72.36 115.45 11.63 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 178.73 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.78 85.06 0.66 Allowed 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 105.714 -1.958 . . . . 0.0 105.714 177.344 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.26 146.18 3.92 Favored 'General case' 0 N--CA 1.443 -0.775 0 C-N-CA 125.995 1.718 . . . . 0.0 115.413 -176.22 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 46.3 tpp 28.78 -86.7 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 130.409 3.483 . . . . 0.0 114.517 178.166 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.86 -28.67 63.61 Favored Glycine 0 CA--C 1.526 0.729 0 C-N-CA 123.528 0.585 . . . . 0.0 113.608 -178.668 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 42.3 m 114.5 65.28 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.205 1 C-N-CA 131.918 4.087 . . . . 0.0 104.799 -177.823 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.01 146.43 22.55 Favored 'General case' 0 N--CA 1.438 -1.071 0 N-CA-C 116.675 2.102 . . . . 0.0 116.675 -177.731 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.1 mtmm -64.79 115.27 19.18 Favored Pre-proline 0 CA--C 1.537 0.449 0 N-CA-C 102.711 -3.07 . . . . 0.0 102.711 171.69 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -34.74 113.49 0.08 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.506 0 C-N-CA 123.93 3.087 . . . . 0.0 112.538 -177.682 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 33.5 m -64.73 -29.8 48.43 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 -179.609 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 42.2 tptt -54.1 108.49 0.37 Allowed 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 124.235 1.014 . . . . 0.0 110.496 172.777 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 107.65 -13.25 38.92 Favored Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 114.192 -1.367 . . . . 0.0 111.332 177.623 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -64.95 142.83 58.3 Favored 'General case' 0 N--CA 1.438 -1.025 0 N-CA-C 106.068 -1.827 . . . . 0.0 106.068 177.7 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -83.97 146.17 22.93 Favored Glycine 0 CA--C 1.526 0.774 0 CA-C-O 118.601 -1.111 . . . . 0.0 112.998 -175.694 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.07 -50.83 10.73 Favored 'General case' 0 CA--C 1.517 -0.311 0 C-N-CA 125.862 1.665 . . . . 0.0 112.222 -178.519 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -55.75 -48.5 75.16 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 -179.939 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -59.39 -61.81 2.35 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 124.166 0.986 . . . . 0.0 108.548 179.706 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 14.2 mt -49.08 -41.77 36.6 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 125.71 1.604 . . . . 0.0 112.064 179.866 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -77.12 -40.51 45.52 Favored 'General case' 0 N--CA 1.445 -0.693 0 O-C-N 121.949 -0.47 . . . . 0.0 110.925 -176.852 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -61.49 -43.33 99.06 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 107.376 -1.342 . . . . 0.0 107.376 178.41 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -64.66 -54.39 32.56 Favored 'General case' 0 N--CA 1.436 -1.152 0 C-N-CA 124.179 0.991 . . . . 0.0 110.366 -179.699 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 52.5 mtm -61.75 -37.13 83.11 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-O 118.066 -0.969 . . . . 0.0 110.685 179.704 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -62.97 -44.68 95.38 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 120.207 1.367 . . . . 0.0 107.341 177.318 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -53.01 -45.39 62.14 Favored Glycine 0 CA--C 1.531 1.091 0 N-CA-C 110.236 -1.145 . . . . 0.0 110.236 176.819 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -69.48 -46.36 66.82 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 117.924 0.862 . . . . 0.0 110.127 178.175 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -48.34 -51.79 24.58 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 126.608 1.963 . . . . 0.0 109.853 -178.648 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -88.13 10.25 19.96 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.219 1.008 . . . . 0.0 112.583 -178.689 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 52.92 34.52 45.9 Favored Glycine 0 CA--C 1.532 1.115 0 CA-C-N 119.027 0.83 . . . . 0.0 113.001 -179.899 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.2 t -99.64 -25.05 14.53 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.869 1.268 . . . . 0.0 110.175 -179.841 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 6.5 t80 . . . . . 0 C--N 1.34 0.16 0 N-CA-C 106.943 -1.503 . . . . 0.0 106.943 178.719 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 71.8 mttt . . . . . 0 N--CA 1.43 -1.459 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.8 -46.49 62.73 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 107.096 -1.446 . . . . 0.0 107.096 176.919 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 64.8 mtt -59.62 -42.54 92.91 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 178.025 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 51.1 mmm -56.14 -61.46 2.37 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 177.619 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 86.1 m -46.01 -50.59 14.8 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.895 0.878 . . . . 0.0 109.871 177.946 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 15.8 t30 -56.71 -34.17 67.21 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 122.975 0.51 . . . . 0.0 111.847 179.497 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.31 -63.57 1.39 Allowed 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 119.205 0.911 . . . . 0.0 108.866 178.151 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 71.4 t -42.81 -42.88 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 127.95 2.5 . . . . 0.0 112.98 -177.71 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -53.34 -25.1 13.84 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 113.451 0.908 . . . . 0.0 113.451 -178.562 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.58 -10.38 59.47 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 119.815 1.189 . . . . 0.0 112.683 -179.719 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -107.58 142.38 37.59 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-O 122.413 1.101 . . . . 0.0 108.577 -178.607 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 86.7 p -77.91 171.19 15.36 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 126.792 2.037 . . . . 0.0 109.616 178.919 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.7 p-10 -57.58 -39.53 76.98 Favored 'General case' 0 CA--C 1.534 0.363 0 O-C-N 121.838 -0.539 . . . . 0.0 109.944 177.429 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.2 tm-20 -66.77 -51.36 56.72 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.226 1.01 . . . . 0.0 109.401 179.593 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -58.69 -45.95 88.34 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 122.066 -0.396 . . . . 0.0 110.273 179.716 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 55.6 mt -59.16 -42.69 91.35 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 178.175 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -61.86 -40.22 94.62 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.851 -0.53 . . . . 0.0 109.586 178.21 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.95 -46.43 84.71 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 179.487 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.1 mt -56.56 -51.51 68.3 Favored 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 178.113 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.44 -40.34 90.74 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 118.876 -0.583 . . . . 0.0 109.964 -179.21 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -56.43 -48.42 77.04 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 177.726 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -59.78 -59.6 5.18 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 178.285 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 70.8 mtm -52.16 -32.71 37.14 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 178.232 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.5 t -70.71 -12.16 61.38 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 120.348 -1.47 . . . . 0.0 111.516 179.727 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -114.74 24.94 11.37 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.99 1.716 . . . . 0.0 108.088 177.61 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.7 tp . . . . . 0 C--O 1.253 1.251 0 C-N-CA 125.314 1.446 . . . . 0.0 109.821 -179.36 . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -45.43 -52.89 8.5 Favored Glycine 0 CA--C 1.528 0.851 0 C-N-CA 123.949 0.785 . . . . 0.0 112.039 -179.652 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.25 -31.43 43.4 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.578 0.751 . . . . 0.0 112.77 179.382 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.95 -22.97 33.63 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 119.152 -0.452 . . . . 0.0 110.347 -178.745 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.9 mt -85.43 -27.51 25.7 Favored 'General case' 0 N--CA 1.437 -1.101 0 N-CA-C 105.61 -1.996 . . . . 0.0 105.61 -179.777 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.446 ' CE1' ' SD ' ' A' ' 76' ' ' MET . 0.6 OUTLIER -74.11 -12.9 60.73 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 178.067 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.4 tptt -50.62 -43.5 56.93 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.689 0.796 . . . . 0.0 112.983 -177.973 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 p -69.03 -19.86 64.12 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.672 1.189 . . . . 0.0 112.909 -179.899 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.5 m -90.59 -38.74 12.95 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 126.861 2.064 . . . . 0.0 109.728 -176.398 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -46.54 -30.91 1.37 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 C-N-CA 125.955 1.702 . . . . 0.0 110.747 178.676 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -56.2 -47.94 78.06 Favored Glycine 0 CA--C 1.535 1.339 0 O-C-N 121.533 -0.73 . . . . 0.0 111.763 177.698 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.6 m -86.15 -42.7 13.64 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 117.902 0.851 . . . . 0.0 110.533 -179.518 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 56.5 m-70 -80.21 -11.69 59.71 Favored 'General case' 0 N--CA 1.431 -1.411 0 N-CA-C 115.437 1.643 . . . . 0.0 115.437 -175.762 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 84.35 154.42 20.05 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 110.306 -1.117 . . . . 0.0 110.306 -179.225 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -32.89 -57.8 0.37 Allowed 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 126.897 2.079 . . . . 0.0 113.512 -178.433 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -109.72 38.51 2.35 Favored 'General case' 0 N--CA 1.436 -1.17 0 C-N-CA 126.172 1.789 . . . . 0.0 111.844 -179.215 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 52.8 29.7 34.38 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 124.26 0.933 . . . . 0.0 114.558 178.143 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.0 p -90.14 -30.73 17.45 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 126.688 1.995 . . . . 0.0 113.246 -177.361 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -72.9 125.53 27.8 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 -178.246 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.36 84.12 0.79 Allowed 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 107.079 -1.452 . . . . 0.0 107.079 178.398 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -38.9 126.21 1.54 Allowed 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 125.636 1.574 . . . . 0.0 114.986 -176.098 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 88.4 mmm 23.68 -76.74 0.0 OUTLIER 'General case' 0 C--N 1.342 0.249 1 C-N-CA 131.822 4.049 . . . . 0.0 115.099 178.336 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -51.27 -40.39 45.15 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 110.627 -0.989 . . . . 0.0 110.627 178.929 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 43.8 t 126.25 55.75 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 130.962 3.705 . . . . 0.0 107.115 179.612 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.06 133.53 48.76 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 113.596 0.961 . . . . 0.0 113.596 -178.908 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -61.57 114.32 10.72 Favored Pre-proline 0 CA--C 1.54 0.589 0 N-CA-C 101.904 -3.369 . . . . 0.0 101.904 172.589 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo -29.82 114.84 0.05 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 124.568 3.512 . . . . 0.0 113.504 -174.801 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.0 m -63.06 -19.81 24.44 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 179.301 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.9 tttp -59.85 98.6 0.05 Allowed 'General case' 0 CA--C 1.513 -0.443 0 CA-C-O 122.303 1.049 . . . . 0.0 110.3 175.567 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 112.11 -7.41 27.12 Favored Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 113.037 -1.892 . . . . 0.0 112.027 177.874 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -63.36 145.45 55.56 Favored 'General case' 0 N--CA 1.442 -0.86 0 N-CA-C 105.318 -2.105 . . . . 0.0 105.318 176.582 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.1 145.38 33.4 Favored Glycine 0 CA--C 1.527 0.818 0 O-C-N 120.826 -1.172 . . . . 0.0 113.603 -175.114 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.32 -49.08 24.88 Favored 'General case' 0 C--N 1.34 0.158 0 CA-C-N 120.004 1.902 . . . . 0.0 111.204 179.297 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -56.73 -48.17 78.35 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 109.011 -0.736 . . . . 0.0 109.011 179.178 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -55.84 -65.87 0.52 Allowed 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 178.76 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.9 mt -48.23 -41.51 27.7 Favored 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 125.416 1.486 . . . . 0.0 111.82 -179.294 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -72.88 -40.13 65.86 Favored 'General case' 0 N--CA 1.449 -0.524 0 O-C-N 121.533 -0.73 . . . . 0.0 110.863 -178.163 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.9 tttp -64.36 -42.76 96.04 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 179.024 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 24.9 mmtp -62.48 -52.93 61.54 Favored 'General case' 0 N--CA 1.439 -1.002 0 C-N-CA 124.676 1.19 . . . . 0.0 109.511 -179.442 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 69.1 mtm -64.81 -39.33 93.42 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 117.948 -1.025 . . . . 0.0 111.173 179.711 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.3 tttp -59.09 -44.1 91.88 Favored 'General case' 0 CA--C 1.528 0.107 0 N-CA-C 106.973 -1.492 . . . . 0.0 106.973 177.068 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.47 -45.16 93.32 Favored Glycine 0 CA--C 1.532 1.129 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 177.522 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -74.02 -30.43 62.44 Favored 'General case' 0 C--O 1.225 -0.202 0 O-C-N 121.386 -1.067 . . . . 0.0 112.143 179.705 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -46.69 -52.98 12.66 Favored 'General case' 0 N--CA 1.462 0.132 0 C-N-CA 125.375 1.47 . . . . 0.0 108.148 -179.773 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -86.19 -40.12 15.93 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 176.613 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.77 27.7 4.24 Favored Glycine 0 CA--C 1.528 0.876 0 C-N-CA 124.495 1.045 . . . . 0.0 113.598 178.052 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.5 p -80.78 -46.88 14.72 Favored 'General case' 0 N--CA 1.426 -1.656 0 C-N-CA 125.29 1.436 . . . . 0.0 109.082 179.172 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 36.5 t80 . . . . . 0 CA--C 1.53 0.195 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 178.83 . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.532 0.277 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 . . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.59 -53.22 59.2 Favored 'General case' 0 C--O 1.233 0.2 0 O-C-N 121.954 -0.466 . . . . 0.0 110.12 -179.288 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 26.2 mmt -58.58 -44.42 89.8 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 178.971 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 28.8 mmm -56.54 -56.4 21.78 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 122.808 0.443 . . . . 0.0 110.794 179.309 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 17.8 m -52.44 -50.52 62.43 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 178.236 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -56.64 -35.69 68.65 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 121.512 -0.075 . . . . 0.0 111.013 178.798 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.7 -43.89 62.45 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 123.607 0.763 . . . . 0.0 112.411 -179.087 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.5 m -93.27 -23.7 5.38 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 -174.342 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -50.49 -33.23 20.58 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 120.319 1.418 . . . . 0.0 113.45 -176.521 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 41.4 pttt -69.22 -11.95 61.25 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 112.74 0.644 . . . . 0.0 112.74 -179.866 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 17.4 m-30 -103.11 139.72 38.26 Favored 'General case' 0 N--CA 1.436 -1.157 0 C-N-CA 124.965 1.306 . . . . 0.0 108.423 -179.836 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 77.6 p -82.52 168.49 17.34 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 126.448 1.899 . . . . 0.0 109.638 179.371 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -52.8 -39.61 62.52 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.576 0.75 . . . . 0.0 111.837 179.213 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.2 tm-20 -66.2 -51.94 52.85 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.972 0.909 . . . . 0.0 109.377 179.594 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -57.16 -50.4 72.95 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 179.355 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 37.5 mt -55.55 -44.36 76.71 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 124.386 1.074 . . . . 0.0 110.066 178.682 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -60.9 -45.47 94.51 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.63 -0.508 . . . . 0.0 109.63 179.386 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.94 -43.52 98.56 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 179.813 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.8 tp -57.71 -51.77 68.19 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 124.003 0.921 . . . . 0.0 109.922 -179.7 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.16 -46.21 88.25 Favored 'General case' 0 C--N 1.34 0.18 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.542 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -51.72 -48.53 63.56 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 179.093 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 32.1 t80 -59.93 -61.82 2.33 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 177.906 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.446 ' SD ' ' CE1' ' A' ' 7' ' ' TYR . 66.7 mtm -48.6 -30.55 5.48 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 114.065 1.135 . . . . 0.0 114.065 179.41 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.7 t -60.69 -32.33 71.56 Favored 'General case' 0 CA--C 1.534 0.338 0 O-C-N 121.481 -0.762 . . . . 0.0 110.302 179.615 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.5 tptp -89.67 -46.14 8.84 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 106.968 -1.493 . . . . 0.0 106.968 175.621 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.254 1.305 0 C-N-CA 128.32 2.648 . . . . 0.0 109.587 -178.725 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 33.6 t0 . . . . . 0 N--CA 1.456 -0.164 0 N-CA-C 107.61 -1.255 . . . . 0.0 107.61 . . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 76.95 80.47 0.63 Allowed Glycine 0 N--CA 1.429 -1.832 1 N-CA-C 100.047 -5.221 . . . . 0.0 100.047 -171.008 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 123.1 -45.62 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 131.44 3.896 . . . . 0.0 106.893 -174.187 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.5 -36.93 71.27 Favored 'General case' 0 C--N 1.346 0.43 0 C-N-CA 118.304 -1.358 . . . . 0.0 111.54 -177.619 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.8 mt -75.3 -37.32 60.89 Favored 'General case' 0 N--CA 1.443 -0.785 0 C-N-CA 117.275 -1.77 . . . . 0.0 109.747 -178.864 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.44 ' CE1' ' SD ' ' A' ' 76' ' ' MET . 1.3 t80 -59.02 -17.84 29.01 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 -177.058 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -51.63 -38.06 53.0 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 118.855 0.752 . . . . 0.0 111.112 176.506 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 55.5 p -68.79 -14.85 63.28 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -179.651 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.7 m -100.12 -37.18 9.06 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 126.894 2.077 . . . . 0.0 110.23 -174.903 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.1 mp -47.55 -29.68 1.78 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 C-N-CA 125.456 1.502 . . . . 0.0 109.647 176.745 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -54.0 -46.05 70.23 Favored Glycine 0 CA--C 1.536 1.375 0 O-C-N 121.663 -0.648 . . . . 0.0 112.06 177.088 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.4 m -91.73 -45.06 8.64 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 118.335 1.067 . . . . 0.0 110.356 179.832 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -77.21 -15.14 59.62 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 -175.832 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.2 156.76 26.88 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 110.175 -1.17 . . . . 0.0 110.175 -178.652 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -36.02 -58.83 0.64 Allowed 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 126.218 1.807 . . . . 0.0 112.996 -178.833 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.1 p-10 -98.67 33.46 2.28 Favored 'General case' 0 N--CA 1.44 -0.938 0 C-N-CA 126.228 1.811 . . . . 0.0 112.272 -178.767 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 42.6 40.77 3.96 Favored Glycine 0 CA--C 1.533 1.165 0 C-N-CA 125.086 1.327 . . . . 0.0 114.121 178.839 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.8 p -94.83 -34.67 12.38 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 126.981 2.113 . . . . 0.0 113.642 -176.633 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -66.78 134.57 52.42 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-O 121.261 0.553 . . . . 0.0 110.324 -177.407 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.79 77.09 2.73 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 105.679 -1.971 . . . . 0.0 105.679 176.346 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -35.48 122.92 0.64 Allowed 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 126.199 1.8 . . . . 0.0 114.677 -175.945 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.4 mmt 21.62 -68.74 0.0 OUTLIER 'General case' 0 C--N 1.344 0.334 1 C-N-CA 132.469 4.307 . . . . 0.0 115.563 177.906 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.22 -25.35 39.67 Favored Glycine 0 CA--C 1.529 0.958 0 C-N-CA 123.554 0.597 . . . . 0.0 111.818 178.235 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.3 m 106.74 56.38 0.0 OUTLIER 'General case' 0 C--N 1.334 -0.067 0 C-N-CA 131.288 3.835 . . . . 0.0 106.358 -179.402 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.02 144.77 48.52 Favored 'General case' 0 N--CA 1.443 -0.792 0 N-CA-C 116.474 2.027 . . . . 0.0 116.474 -177.306 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.8 pttm -70.79 114.46 27.01 Favored Pre-proline 0 CA--C 1.543 0.688 0 N-CA-C 101.438 -3.542 . . . . 0.0 101.438 171.104 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -31.7 117.57 0.07 OUTLIER 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 124.579 3.519 . . . . 0.0 113.75 -175.626 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 17.3 m -67.35 -22.01 28.44 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 C-N-CA 119.375 -0.93 . . . . 0.0 108.913 -179.49 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.7 ttpp -60.03 106.75 0.54 Allowed 'General case' 0 CA--C 1.515 -0.401 0 CA-C-O 122.115 0.959 . . . . 0.0 110.479 176.305 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 105.85 -4.76 39.37 Favored Glycine 0 N--CA 1.448 -0.538 0 CA-C-N 113.289 -1.778 . . . . 0.0 111.731 177.787 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -64.34 146.21 54.78 Favored 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 105.877 -1.897 . . . . 0.0 105.877 177.202 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -76.41 142.94 28.8 Favored Glycine 0 CA--C 1.528 0.846 0 O-C-N 120.865 -1.147 . . . . 0.0 113.695 -175.25 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -46.1 -47.6 17.27 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 119.688 1.744 . . . . 0.0 111.852 179.638 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.3 tm-20 -60.0 -45.09 93.9 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 179.527 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 57.3 tt0 -58.92 -62.85 1.57 Allowed 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.74 1.216 . . . . 0.0 107.98 179.419 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 50.8 mt -45.58 -49.53 13.96 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 126.959 2.103 . . . . 0.0 109.744 179.625 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -65.1 -53.45 45.15 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 123.098 0.559 . . . . 0.0 112.395 -179.925 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.7 tttp -57.38 -41.19 79.71 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 121.533 0.682 . . . . 0.0 109.759 -178.082 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp -68.88 -51.36 41.03 Favored 'General case' 0 N--CA 1.435 -1.204 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.3 -178.647 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 65.6 mtm -62.21 -35.19 78.12 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 118.575 -0.726 . . . . 0.0 110.303 178.989 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -61.05 -45.54 94.34 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 106.864 -1.532 . . . . 0.0 106.864 177.536 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.26 -47.88 84.45 Favored Glycine 0 CA--C 1.534 1.258 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 176.956 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -63.42 -42.21 98.72 Favored 'General case' 0 C--N 1.343 0.289 0 CA-C-N 118.44 1.12 . . . . 0.0 109.467 179.207 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.27 -46.15 76.12 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 125.273 1.429 . . . . 0.0 108.559 179.388 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -72.61 -19.8 61.4 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.833 0.853 . . . . 0.0 111.177 179.826 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.9 -14.1 33.7 Favored Glycine 0 CA--C 1.53 0.979 0 CA-C-N 118.801 0.728 . . . . 0.0 113.544 179.651 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.75 -40.3 79.85 Favored 'General case' 0 N--CA 1.432 -1.364 0 C-N-CA 125.522 1.529 . . . . 0.0 110.926 -179.345 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 11.1 t80 . . . . . 0 N--CA 1.455 -0.186 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 178.979 . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.9 mttm . . . . . 0 N--CA 1.438 -1.067 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 . . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.01 -42.31 76.61 Favored 'General case' 0 C--N 1.34 0.155 0 O-C-N 120.788 -1.195 . . . . 0.0 107.865 178.495 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 88.6 mmm -58.31 -44.74 88.73 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 177.777 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 33.0 mmm -56.44 -56.27 23.3 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.199 178.307 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.2 m -52.03 -49.34 63.6 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 178.273 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.06 -37.5 71.92 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 118.064 0.393 . . . . 0.0 110.43 179.001 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.57 -44.88 66.47 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.487 0.715 . . . . 0.0 112.675 -178.868 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.4 m -92.46 -24.58 5.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 N-CA-C 113.695 0.998 . . . . 0.0 113.695 -174.339 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.4 ttmt -52.11 -28.37 17.51 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 119.895 1.225 . . . . 0.0 113.474 -176.305 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -69.33 -16.11 63.47 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 118.469 0.577 . . . . 0.0 112.196 179.078 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -91.28 -168.82 2.15 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 125.77 1.628 . . . . 0.0 109.358 179.623 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 26.7 m -159.83 161.61 34.55 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 127.361 2.265 . . . . 0.0 106.94 -178.81 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -31.31 -48.14 0.12 Allowed 'General case' 0 C--O 1.224 -0.279 0 C-N-CA 126.654 1.982 . . . . 0.0 115.05 -177.171 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 31.3 tp10 -61.17 -52.87 63.02 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 119.152 0.887 . . . . 0.0 110.751 -179.792 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.3 mp0 -65.14 -43.23 92.56 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 124.169 0.988 . . . . 0.0 109.597 -179.683 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 76.6 mt -60.08 -44.1 95.03 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 178.523 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -61.88 -45.21 94.76 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 177.763 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.45 -47.91 82.45 Favored 'General case' 0 C--N 1.339 0.151 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 178.948 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 16.2 mt -58.76 -52.49 65.5 Favored 'General case' 0 N--CA 1.447 -0.622 0 O-C-N 122.002 -0.436 . . . . 0.0 111.571 179.488 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.54 -43.52 97.1 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 -178.566 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -54.85 -44.95 74.44 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 177.969 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -61.43 -66.75 0.49 Allowed 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 178.17 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.44 ' SD ' ' CE1' ' A' ' 7' ' ' TYR . 54.6 mtm -46.78 -34.73 5.51 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 179.104 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.8 t -58.48 -36.8 74.31 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 118.617 -0.706 . . . . 0.0 110.261 -179.091 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.8 ptmm? -91.95 -35.08 14.2 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 175.944 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.254 1.298 0 C-N-CA 130.184 3.394 . . . . 0.0 108.639 -178.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.85 0 CA-C-O 116.718 -1.611 . . . . 0.0 107.078 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -62.23 118.82 7.91 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 120.734 1.606 . . . . 0.0 111.524 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.22 -49.52 67.55 Favored Glycine 0 CA--C 1.528 0.858 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.58 -47.62 69.96 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 118.57 1.185 . . . . 0.0 110.854 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.33 -47.61 85.1 Favored 'General case' 0 N--CA 1.454 -0.244 0 O-C-N 122.355 -0.215 . . . . 0.0 110.751 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.3 mt -59.77 -40.65 88.95 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 118.72 0.691 . . . . 0.0 110.303 -179.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.408 ' CE1' ' SD ' ' A' ' 76' ' ' MET . 1.8 t80 -76.4 -7.8 55.81 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 115.266 1.58 . . . . 0.0 115.266 -179.324 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.7 tptm -49.12 -38.36 24.79 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -175.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.8 p -71.16 -40.61 71.19 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 122.132 0.968 . . . . 0.0 112.329 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.2 m -62.89 -36.74 84.33 Favored 'General case' 0 CA--C 1.512 -0.517 0 C-N-CA 127.387 2.275 . . . . 0.0 109.408 -175.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -47.39 -30.99 2.0 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.72 0 CA-C-N 113.583 -1.644 . . . . 0.0 109.646 176.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -56.98 -44.16 92.86 Favored Glycine 0 CA--C 1.534 1.222 0 O-C-N 121.67 -0.644 . . . . 0.0 113.042 178.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 m -90.21 -45.64 8.95 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 118.456 1.128 . . . . 0.0 110.399 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 73.1 m-70 -73.92 -14.9 61.13 Favored 'General case' 0 N--CA 1.431 -1.411 0 C-N-CA 125.834 1.654 . . . . 0.0 114.384 -176.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.16 157.54 32.18 Favored Glycine 0 CA--C 1.527 0.817 0 N-CA-C 109.559 -1.416 . . . . 0.0 109.559 -179.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.38 -47.46 26.2 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.34 1.056 . . . . 0.0 111.714 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 51.7 p-10 -90.76 15.86 10.37 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 127.387 2.275 . . . . 0.0 112.892 -179.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 44.5 28.52 1.55 Allowed Glycine 0 CA--C 1.533 1.199 0 C-N-CA 125.197 1.38 . . . . 0.0 114.284 -179.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.5 m -107.77 -11.53 15.38 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.699 0.799 . . . . 0.0 111.52 -178.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.3 124.01 22.71 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 105.757 -1.942 . . . . 0.0 105.757 178.35 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.04 86.09 0.14 Allowed 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 179.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -40.39 126.77 2.3 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 125.504 1.522 . . . . 0.0 114.08 -175.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.7 mmt 22.81 -74.54 0.0 OUTLIER 'General case' 0 C--N 1.341 0.219 1 C-N-CA 131.802 4.041 . . . . 0.0 115.136 178.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -51.41 -43.92 52.46 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 110.297 -1.121 . . . . 0.0 110.297 179.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 74.4 p 131.39 55.59 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 131.641 3.976 . . . . 0.0 107.708 179.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.18 144.62 23.64 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 -177.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm -63.43 123.89 82.48 Favored Pre-proline 0 N--CA 1.451 -0.419 0 N-CA-C 102.498 -3.149 . . . . 0.0 102.498 173.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_exo -37.82 112.02 0.11 Allowed 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 123.353 2.702 . . . . 0.0 111.52 -177.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.5 t -61.28 -35.77 68.39 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 -177.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 38.4 tttp -48.37 105.95 0.09 Allowed 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 122.848 1.309 . . . . 0.0 113.369 179.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 68.48 37.62 85.73 Favored Glycine 0 N--CA 1.441 -0.968 0 CA-C-N 112.59 -2.095 . . . . 0.0 110.522 177.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -58.02 -42.26 84.89 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 137.21 119.02 1.78 Allowed Glycine 0 C--O 1.217 -0.91 0 C-N-CA 128.287 2.851 . . . . 0.0 107.601 176.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.02 -46.56 8.45 Favored 'General case' 0 C--O 1.225 -0.197 0 CA-C-N 121.069 2.434 . . . . 0.0 112.441 -178.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -60.65 -44.32 96.57 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 179.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -59.69 -63.8 1.17 Allowed 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 125.969 1.708 . . . . 0.0 108.464 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 32.5 mt -47.01 -50.38 19.33 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 126.417 1.887 . . . . 0.0 110.125 179.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -68.43 -46.35 70.09 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 122.748 0.419 . . . . 0.0 111.755 -178.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -57.81 -42.61 84.64 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 45.9 mttp -70.18 -43.06 71.56 Favored 'General case' 0 N--CA 1.437 -1.085 0 C-N-CA 123.542 0.737 . . . . 0.0 110.378 -178.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -63.41 -43.12 98.43 Favored 'General case' 0 C--O 1.221 -0.399 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.043 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.2 tttp -59.34 -48.2 82.55 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 106.981 -1.489 . . . . 0.0 106.981 177.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -49.62 -51.79 26.82 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.206 -1.158 . . . . 0.0 110.206 177.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -69.66 -37.74 76.83 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.678 1.239 . . . . 0.0 111.333 178.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.09 -49.59 68.75 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.337 1.055 . . . . 0.0 109.202 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -85.46 -25.43 26.92 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.219 0.607 . . . . 0.0 111.673 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.76 18.34 25.57 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 125.516 1.531 . . . . 0.0 114.24 178.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.0 t -102.17 36.4 2.13 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.01 1.324 . . . . 0.0 111.756 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -153.71 160.11 42.22 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 107.613 -1.254 . . . . 0.0 107.613 177.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -136.27 -175.11 13.64 Favored Glycine 0 C--N 1.338 0.659 0 C-N-CA 123.289 0.471 . . . . 0.0 113.512 -178.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 162.83 173.69 31.84 Favored Glycine 0 N--CA 1.426 -1.979 0 C-N-CA 128.494 2.95 . . . . 0.0 108.812 -177.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -48.44 -45.44 36.38 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 126.975 2.11 . . . . 0.0 111.882 -179.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 51.2 mtp180 -125.75 42.73 3.23 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 178.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.09 -35.62 26.17 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.728 0.811 . . . . 0.0 112.141 179.483 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.96 -51.63 60.73 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.52 0.728 . . . . 0.0 110.395 -178.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 95.7 mmm -57.65 -47.27 82.73 Favored 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 178.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 22.2 mmm -55.01 -60.13 3.79 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 114.777 -1.101 . . . . 0.0 110.114 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 64.7 m -47.77 -51.56 21.9 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 125.139 1.375 . . . . 0.0 110.01 177.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -56.85 -44.08 81.79 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-O 119.46 -0.305 . . . . 0.0 110.785 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.15 -57.19 9.18 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 121.87 0.843 . . . . 0.0 109.6 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 54.4 t -50.18 -37.77 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 C-N-CA 126.802 2.041 . . . . 0.0 112.195 -179.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.1 tppt? -48.37 -29.91 4.45 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.125 0.97 . . . . 0.0 112.338 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 51.9 tttm -58.12 -32.68 68.37 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.021 0.928 . . . . 0.0 112.739 178.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -92.76 -169.45 2.19 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-O 123.589 1.661 . . . . 0.0 111.969 -176.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.7 m -161.63 156.11 22.71 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 129.162 2.985 . . . . 0.0 107.006 -178.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -22.6 -51.88 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 127.927 2.491 . . . . 0.0 116.194 -178.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -67.1 -49.91 63.33 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.545 0.738 . . . . 0.0 110.39 -178.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -63.18 -42.44 99.38 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 87.8 mt -61.06 -46.24 91.49 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 178.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -57.74 -46.93 83.79 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.15 -43.88 97.85 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.4 mt -59.6 -49.86 76.13 Favored 'General case' 0 N--CA 1.444 -0.73 0 C-N-CA 120.955 -0.298 . . . . 0.0 110.493 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.5 -44.15 97.59 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 -179.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -53.42 -49.57 67.04 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 178.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -60.35 -62.53 1.8 Allowed 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 118.327 -0.844 . . . . 0.0 109.084 178.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.408 ' SD ' ' CE1' ' A' ' 7' ' ' TYR . 60.1 mtm -47.74 -31.19 4.53 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 178.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.4 t -67.2 -23.2 65.72 Favored 'General case' 0 CA--C 1.529 0.148 0 O-C-N 121.506 -0.746 . . . . 0.0 112.425 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -103.01 -45.11 5.04 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 177.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.243 0 C-N-CA 130.48 3.512 . . . . 0.0 111.312 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.7 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -51.21 120.48 5.03 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 119.424 1.011 . . . . 0.0 112.337 -178.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.61 -43.26 91.2 Favored Glycine 0 N--CA 1.447 -0.621 0 N-CA-C 110.277 -1.129 . . . . 0.0 110.277 178.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.32 -24.23 66.29 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 118.012 0.906 . . . . 0.0 112.397 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -85.72 -50.32 7.26 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 107.734 -1.209 . . . . 0.0 107.734 179.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 82.2 mt -55.81 -45.63 78.24 Favored 'General case' 0 N--CA 1.44 -0.938 0 CA-C-O 119.285 -0.388 . . . . 0.0 110.41 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -63.89 -14.53 54.16 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 114.558 1.318 . . . . 0.0 114.558 -177.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -54.79 -38.67 67.57 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 119.839 1.199 . . . . 0.0 109.814 177.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.3 -5.41 10.46 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.07 1.748 . . . . 0.0 113.584 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.6 m -115.17 -38.22 3.9 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 127.14 2.176 . . . . 0.0 110.473 -175.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.1 mp -45.8 -32.74 1.38 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 C-N-CA 125.322 1.449 . . . . 0.0 110.798 178.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -51.08 -41.28 45.72 Favored Glycine 0 CA--C 1.536 1.381 0 CA-C-N 118.561 0.619 . . . . 0.0 112.054 177.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 15.3 t -94.45 -46.79 6.85 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 123.761 0.824 . . . . 0.0 110.062 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 57.9 m-70 -64.52 -17.42 63.88 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.94 1.296 . . . . 0.0 113.932 -177.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.76 115.0 0.02 OUTLIER Glycine 0 CA--C 1.524 0.607 0 N-CA-C 115.812 1.085 . . . . 0.0 115.812 175.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 59.23 -65.68 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 127.801 2.44 . . . . 0.0 113.795 176.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -165.04 63.26 0.12 Allowed 'General case' 0 N--CA 1.435 -1.198 0 N-CA-C 106.115 -1.809 . . . . 0.0 106.115 -178.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.53 26.19 70.68 Favored Glycine 0 C--N 1.339 0.737 0 C-N-CA 124.192 0.901 . . . . 0.0 113.954 -179.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 87.4 p -89.79 -25.33 21.15 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 -177.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -102.41 152.01 21.61 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 122.492 1.139 . . . . 0.0 112.61 -176.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.56 89.52 2.73 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 114.307 -1.315 . . . . 0.0 108.532 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -40.52 68.31 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 130.454 3.502 . . . . 0.0 117.616 -177.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.5 mmt 60.41 -66.09 0.05 Allowed 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 127.844 2.458 . . . . 0.0 112.614 177.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.01 -33.13 60.24 Favored Glycine 0 CA--C 1.528 0.884 0 N-CA-C 108.616 -1.794 . . . . 0.0 108.616 176.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.6 m 112.0 61.5 0.0 OUTLIER 'General case' 0 C--N 1.34 0.174 0 C-N-CA 130.689 3.596 . . . . 0.0 109.323 177.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.86 123.59 19.33 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 118.494 -1.282 . . . . 0.0 113.733 -179.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.7 pttp -53.67 119.41 18.33 Favored Pre-proline 0 CA--C 1.539 0.557 0 N-CA-C 103.077 -2.935 . . . . 0.0 103.077 172.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 0.8 OUTLIER -20.51 102.13 0.01 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.694 1 C-N-CA 125.734 4.289 . . . . 0.0 114.847 -175.093 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.4 t -56.8 -34.72 44.13 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 N-CA-C 105.613 -1.995 . . . . 0.0 105.613 178.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.3 tttp -62.31 93.76 0.05 Allowed 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 124.624 1.169 . . . . 0.0 109.612 173.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 127.28 -14.28 6.55 Favored Glycine 0 CA--C 1.522 0.505 0 CA-C-N 113.429 -1.714 . . . . 0.0 111.999 178.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -66.36 148.3 52.06 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 118.818 1.309 . . . . 0.0 107.471 178.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -85.89 144.38 20.26 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 121.432 -0.793 . . . . 0.0 113.766 -176.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -46.63 -46.94 20.11 Favored 'General case' 0 C--O 1.223 -0.294 0 C-N-CA 125.928 1.691 . . . . 0.0 111.836 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -55.62 -52.36 64.04 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 178.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -55.07 -61.83 2.06 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 124.935 1.294 . . . . 0.0 108.765 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.7 mt -51.5 -43.46 62.22 Favored 'General case' 0 N--CA 1.439 -0.987 0 C-N-CA 125.387 1.475 . . . . 0.0 111.635 -179.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -69.23 -46.55 67.07 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 118.602 0.637 . . . . 0.0 110.229 -178.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -63.88 -39.53 94.41 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 120.136 -0.625 . . . . 0.0 109.893 -177.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -74.0 -46.35 44.25 Favored 'General case' 0 N--CA 1.438 -1.044 0 C-N-CA 122.591 0.356 . . . . 0.0 111.24 -177.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -65.8 -38.31 88.63 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 179.503 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -64.25 -43.12 95.86 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 106.775 -1.565 . . . . 0.0 106.775 176.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.68 -41.45 57.34 Favored Glycine 0 CA--C 1.532 1.133 0 N-CA-C 110.16 -1.176 . . . . 0.0 110.16 176.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -75.23 -35.36 61.46 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 118.241 1.02 . . . . 0.0 109.887 176.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.36 -50.1 70.54 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 178.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -77.67 -31.96 52.84 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 177.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.35 -3.9 40.43 Favored Glycine 0 CA--C 1.529 0.918 0 C-N-CA 124.998 1.285 . . . . 0.0 114.826 176.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.9 t -72.37 -32.76 66.72 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 118.764 1.282 . . . . 0.0 111.861 -178.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -80.28 150.12 30.1 Favored 'General case' 0 C--N 1.343 0.316 0 CA-C-N 120.093 1.315 . . . . 0.0 108.606 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -128.52 -169.41 12.6 Favored Glycine 0 C--N 1.335 0.478 0 CA-C-O 122.011 0.784 . . . . 0.0 112.666 -179.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 162.53 176.14 34.29 Favored Glycine 0 N--CA 1.421 -2.323 0 C-N-CA 127.94 2.686 . . . . 0.0 108.769 -178.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -50.91 -28.23 9.22 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 126.391 1.877 . . . . 0.0 112.214 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -138.48 43.06 2.16 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 118.633 0.652 . . . . 0.0 109.782 178.556 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.95 -36.55 39.3 Favored 'General case' 0 C--N 1.343 0.29 0 C-N-CA 123.611 0.764 . . . . 0.0 112.699 -179.619 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.09 -53.15 58.16 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.49 0.716 . . . . 0.0 111.392 -177.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -60.06 -42.48 94.61 Favored 'General case' 0 N--CA 1.456 -0.131 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 179.293 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 28.8 mmm -56.14 -60.61 3.25 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 178.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 87.6 m -48.15 -47.22 35.04 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.517 1.127 . . . . 0.0 109.656 177.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -61.74 -38.53 88.32 Favored 'General case' 0 CA--C 1.532 0.279 0 O-C-N 121.696 -0.628 . . . . 0.0 111.63 179.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.36 -34.04 65.38 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 118.447 0.567 . . . . 0.0 111.628 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 59.8 t -84.89 -43.2 16.98 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.188 0 C-N-CA 127.045 2.138 . . . . 0.0 116.005 -175.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.91 -30.88 0.44 Allowed 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 115.446 1.647 . . . . 0.0 115.446 -176.339 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.7 ptpp? -73.99 -17.06 61.04 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 113.348 0.869 . . . . 0.0 113.348 -178.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -80.12 -171.66 3.06 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-O 124.065 1.888 . . . . 0.0 110.675 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 36.1 m -155.93 163.68 39.45 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 128.749 2.819 . . . . 0.0 107.153 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -34.28 -50.93 0.43 Allowed 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.644 1.578 . . . . 0.0 114.668 -177.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -62.42 -50.93 69.56 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 121.068 0.461 . . . . 0.0 110.135 -178.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -58.36 -46.2 86.74 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 179.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 39.7 mt -58.81 -51.57 69.42 Favored 'General case' 0 C--N 1.338 0.099 0 CA-C-N 117.735 0.243 . . . . 0.0 110.439 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -57.62 -44.46 85.52 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 123.299 0.64 . . . . 0.0 109.994 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.82 -46.93 79.91 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 -179.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.0 mt -60.3 -50.52 73.31 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-O 119.475 -0.298 . . . . 0.0 110.321 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.23 -40.83 91.6 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -57.62 -52.0 67.22 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 177.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -55.6 -59.34 4.98 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 179.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 62.3 mtm -49.35 -39.81 33.22 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 177.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.3 t -71.51 -15.06 62.29 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 121.005 -1.059 . . . . 0.0 112.728 -179.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -93.77 0.72 56.46 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 118.75 0.705 . . . . 0.0 109.775 177.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 88.8 mt . . . . . 0 C--O 1.25 1.091 0 CA-C-O 117.27 -1.348 . . . . 0.0 109.268 176.955 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.728 0 N-CA-C 106.62 -1.622 . . . . 0.0 106.62 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -57.29 144.28 36.34 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 106.826 -1.546 . . . . 0.0 106.826 176.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 77.8 80.65 0.67 Allowed Glycine 0 N--CA 1.44 -1.097 1 N-CA-C 100.449 -5.06 . . . . 0.0 100.449 -171.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 118.82 -38.46 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 130.451 3.501 . . . . 0.0 107.397 -173.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.22 -22.11 33.22 Favored 'General case' 0 C--N 1.347 0.483 0 C-N-CA 118.634 -1.226 . . . . 0.0 110.168 -176.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 17.7 mt -88.79 -40.02 13.49 Favored 'General case' 0 N--CA 1.431 -1.376 0 N-CA-C 106.001 -1.852 . . . . 0.0 106.001 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.405 ' CE1' ' SD ' ' A' ' 76' ' ' MET . 2.0 t80 -64.33 -22.21 66.87 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 -178.496 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.1 tptm -51.81 -33.95 37.97 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 118.598 0.635 . . . . 0.0 110.213 178.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.19 7.84 2.51 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.696 1.598 . . . . 0.0 113.223 178.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.2 m -128.79 -37.29 1.76 Allowed 'General case' 0 C--O 1.235 0.322 0 C-N-CA 127.144 2.178 . . . . 0.0 109.997 -173.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 21.2 mm -40.97 -35.95 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 C-N-CA 126.36 1.864 . . . . 0.0 110.51 176.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -47.99 -44.06 25.01 Favored Glycine 0 CA--C 1.537 1.431 0 CA-C-O 119.679 -0.512 . . . . 0.0 112.853 178.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.1 m -92.96 -44.99 8.16 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 118.033 0.916 . . . . 0.0 110.459 179.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 41.0 m-70 -71.58 -14.24 62.02 Favored 'General case' 0 N--CA 1.434 -1.227 0 C-N-CA 126.828 2.051 . . . . 0.0 115.579 -175.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 83.65 160.69 30.59 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 110.359 -1.097 . . . . 0.0 110.359 -179.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -42.72 -18.85 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 128.018 2.527 . . . . 0.0 116.357 -177.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -153.28 40.37 0.53 Allowed 'General case' 0 N--CA 1.439 -0.985 0 CA-C-N 119.453 1.024 . . . . 0.0 109.862 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 53.52 29.32 39.21 Favored Glycine 0 C--N 1.341 0.852 0 CA-C-N 117.809 0.277 . . . . 0.0 112.95 179.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.2 p -90.8 -34.28 15.37 Favored 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 127.444 2.298 . . . . 0.0 111.865 -177.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -73.72 124.87 26.85 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 -179.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.16 85.2 0.37 Allowed 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 105.99 -1.855 . . . . 0.0 105.99 176.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -41.37 131.91 2.76 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 125.453 1.501 . . . . 0.0 114.202 -176.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.5 mmt 22.01 -78.9 0.0 OUTLIER 'General case' 0 C--N 1.342 0.262 0 C-N-CA 131.167 3.787 . . . . 0.0 115.39 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -52.13 -33.48 37.8 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 123.284 0.468 . . . . 0.0 112.141 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 67.6 m 119.13 59.95 0.0 OUTLIER 'General case' 0 N--CA 1.458 -0.071 1 C-N-CA 131.898 4.079 . . . . 0.0 106.655 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.12 142.49 36.53 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 114.235 1.198 . . . . 0.0 114.235 -178.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.4 mtmm -62.96 119.63 53.58 Favored Pre-proline 0 N--CA 1.45 -0.462 0 N-CA-C 102.614 -3.106 . . . . 0.0 102.614 174.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_exo -33.58 106.62 0.04 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 124.1 3.2 . . . . 0.0 113.137 -177.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.7 t -55.03 -35.14 33.69 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.2 tptt -40.23 92.52 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 127.721 2.408 . . . . 0.0 113.608 174.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 73.64 39.47 48.86 Favored Glycine 0 N--CA 1.447 -0.633 0 CA-C-N 112.606 -2.088 . . . . 0.0 111.41 177.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -57.73 -45.94 85.11 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 139.01 126.07 2.35 Favored Glycine 0 C--O 1.215 -1.091 0 C-N-CA 127.96 2.695 . . . . 0.0 108.459 175.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -50.31 -44.22 54.06 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 122.117 2.959 . . . . 0.0 112.181 -178.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -59.57 -53.23 60.48 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 122.507 1.146 . . . . 0.0 108.675 178.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -50.36 -63.8 1.01 Allowed 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 112.762 -2.017 . . . . 0.0 109.261 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.6 mt -50.93 -45.44 60.53 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 127.28 2.232 . . . . 0.0 110.469 178.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -63.9 -49.77 71.35 Favored 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 121.871 -0.518 . . . . 0.0 110.757 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.2 ttpm? -57.47 -42.12 81.98 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.6 mttm -62.48 -52.35 63.86 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 123.967 0.907 . . . . 0.0 110.11 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 67.9 mtm -64.36 -36.46 84.2 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 118.187 -0.911 . . . . 0.0 111.258 179.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.9 tptm -59.88 -46.25 89.92 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 106.074 -1.824 . . . . 0.0 106.074 177.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -53.81 -56.69 19.29 Favored Glycine 0 CA--C 1.528 0.85 0 N-CA-C 110.796 -0.922 . . . . 0.0 110.796 177.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -66.01 -41.98 90.29 Favored 'General case' 0 C--N 1.341 0.199 0 CA-C-N 118.786 1.293 . . . . 0.0 111.477 -179.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.73 -46.63 64.07 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.568 1.147 . . . . 0.0 108.532 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -88.3 6.98 34.45 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.272 1.029 . . . . 0.0 112.469 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 56.03 31.16 58.49 Favored Glycine 0 CA--C 1.532 1.099 0 C-N-CA 124.481 1.039 . . . . 0.0 112.977 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.8 t -118.17 38.95 3.54 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 125.784 1.634 . . . . 0.0 111.504 -178.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -159.48 158.8 32.64 Favored 'General case' 0 C--O 1.232 0.18 0 N-CA-C 107.27 -1.381 . . . . 0.0 107.27 179.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -135.3 175.34 20.75 Favored Glycine 0 C--N 1.339 0.708 0 CA-C-O 121.803 0.669 . . . . 0.0 114.121 -177.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 172.52 174.68 39.98 Favored Glycine 0 N--CA 1.427 -1.916 1 C-N-CA 130.791 4.043 . . . . 0.0 107.612 -178.079 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -53.52 -45.76 69.86 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 125.348 1.459 . . . . 0.0 112.261 -178.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -116.7 38.33 3.5 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.893 0.877 . . . . 0.0 110.069 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.42 -28.83 56.66 Favored 'General case' 0 C--O 1.225 -0.204 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 -179.374 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.39 -55.93 13.45 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 118.735 0.698 . . . . 0.0 109.525 -179.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 35.4 mtt -55.85 -48.37 75.62 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 178.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.7 mmm -56.33 -52.8 63.21 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.496 179.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 32.1 m -53.81 -52.9 58.84 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 179.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -55.28 -42.51 73.67 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 117.862 0.301 . . . . 0.0 110.543 178.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.65 -43.18 97.5 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 118.437 -0.792 . . . . 0.0 112.902 -178.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.6 m -90.55 -34.93 6.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-N 120.252 1.387 . . . . 0.0 112.316 -176.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -55.96 -24.95 41.52 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -175.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -70.39 -16.01 62.91 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 118.744 0.702 . . . . 0.0 111.355 178.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -91.83 -176.57 4.48 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-O 122.65 1.214 . . . . 0.0 110.241 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 32.5 m -127.08 161.0 29.46 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 127.683 2.393 . . . . 0.0 109.696 -179.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -39.83 -50.34 2.41 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.402 1.481 . . . . 0.0 113.826 -179.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -59.2 -47.5 85.09 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-O 121.269 0.557 . . . . 0.0 110.369 -178.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -63.62 -43.94 95.37 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 72.6 mt -57.84 -49.05 77.96 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 178.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.3 ttpp -55.39 -50.51 69.56 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 178.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.56 -45.21 73.45 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.023 0.529 . . . . 0.0 109.706 178.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.6 tp -60.16 -51.43 69.64 Favored 'General case' 0 N--CA 1.449 -0.52 0 O-C-N 121.999 -0.438 . . . . 0.0 111.21 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.95 -40.23 97.04 Favored 'General case' 0 CA--C 1.516 -0.332 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 -178.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -55.44 -51.28 67.42 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 107.319 -1.363 . . . . 0.0 107.319 177.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -57.9 -59.42 5.28 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 110.436 -0.209 . . . . 0.0 110.436 179.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.405 ' SD ' ' CE1' ' A' ' 7' ' ' TYR . 66.9 mtm -49.99 -40.84 45.54 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 179.029 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.1 t -71.84 -14.83 62.07 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 121.146 -0.971 . . . . 0.0 112.161 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -104.57 10.55 34.95 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.743 1.217 . . . . 0.0 110.451 179.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 75.2 mt . . . . . 0 C--O 1.251 1.137 0 CA-C-O 117.21 -1.376 . . . . 0.0 109.533 177.053 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.675 0 CA-C-O 117.465 -1.255 . . . . 0.0 107.773 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -64.46 125.98 26.38 Favored 'General case' 0 CA--C 1.528 0.112 0 CA-C-N 118.928 0.786 . . . . 0.0 109.916 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.83 -34.36 77.49 Favored Glycine 0 N--CA 1.445 -0.755 0 CA-C-O 119.323 -0.71 . . . . 0.0 111.575 177.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.16 -27.48 65.7 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 118.631 1.215 . . . . 0.0 110.231 177.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.07 -32.03 16.89 Favored 'General case' 0 N--CA 1.443 -0.8 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 178.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 36.1 mt -73.57 -31.92 63.87 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 118.377 -1.329 . . . . 0.0 110.515 -177.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -76.61 -7.64 55.65 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 -178.19 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -52.36 -41.42 63.05 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 119.576 1.08 . . . . 0.0 112.789 -179.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 p -69.77 -8.3 46.91 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.857 1.263 . . . . 0.0 113.103 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.3 m -106.59 -38.86 6.02 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 126.863 2.065 . . . . 0.0 110.011 -175.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.1 mp -44.1 -37.48 1.28 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 C-N-CA 125.638 1.575 . . . . 0.0 110.447 177.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -48.99 -43.3 31.3 Favored Glycine 0 CA--C 1.533 1.19 0 C-N-CA 123.641 0.639 . . . . 0.0 112.61 178.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.9 m -93.85 -43.13 8.74 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 117.718 0.759 . . . . 0.0 110.604 179.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -71.38 -18.37 62.36 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 -175.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.73 115.95 0.52 Allowed Glycine 0 CA--C 1.532 1.097 0 N-CA-C 116.815 1.486 . . . . 0.0 116.815 174.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 61.76 -70.37 0.05 OUTLIER 'General case' 0 C--N 1.343 0.296 0 C-N-CA 128.306 2.642 . . . . 0.0 112.01 177.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -130.84 -25.8 2.27 Favored 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 127.879 2.472 . . . . 0.0 110.895 179.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 139.86 34.6 0.14 Allowed Glycine 0 CA--C 1.526 0.765 0 C-N-CA 127.088 2.28 . . . . 0.0 112.113 177.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.5 m -84.18 -22.82 30.81 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 124.924 1.289 . . . . 0.0 114.097 -177.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -94.16 153.35 18.14 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 122.749 1.261 . . . . 0.0 113.039 -176.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.86 84.35 2.8 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 106.441 -1.688 . . . . 0.0 106.441 177.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -39.61 133.28 1.49 Allowed 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 114.92 1.452 . . . . 0.0 114.92 -176.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 26.0 mmt 19.5 -77.67 0.0 OUTLIER 'General case' 0 C--N 1.342 0.252 0 C-N-CA 131.419 3.888 . . . . 0.0 115.64 178.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -50.61 -40.21 39.64 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 65.2 m 126.9 59.48 0.0 OUTLIER 'General case' 0 CA--C 1.528 0.11 1 C-N-CA 131.919 4.088 . . . . 0.0 106.783 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.35 153.97 14.5 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 -178.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -66.9 122.49 82.66 Favored Pre-proline 0 N--CA 1.446 -0.653 0 N-CA-C 100.854 -3.758 . . . . 0.0 100.854 172.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -41.19 110.77 0.14 Allowed 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.365 2.71 . . . . 0.0 110.72 -175.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.3 t -54.02 -46.39 65.63 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 -177.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 51.2 tttp -44.67 104.41 0.04 OUTLIER 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 122.812 1.291 . . . . 0.0 113.944 175.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 83.03 26.2 45.74 Favored Glycine 0 N--CA 1.442 -0.903 0 CA-C-N 112.901 -1.954 . . . . 0.0 112.476 175.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -64.26 -38.26 90.43 Favored 'General case' 0 N--CA 1.426 -1.627 0 CA-C-N 118.959 1.38 . . . . 0.0 107.325 178.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 121.5 125.69 3.19 Favored Glycine 0 C--O 1.216 -0.973 0 C-N-CA 127.842 2.639 . . . . 0.0 109.731 176.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.22 -48.29 9.34 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 120.919 2.359 . . . . 0.0 112.959 -177.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -60.67 -42.64 97.45 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 121.388 0.613 . . . . 0.0 110.054 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.4 -62.84 1.57 Allowed 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 126.312 1.845 . . . . 0.0 108.214 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 23.7 mt -49.29 -45.15 44.75 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 127.53 2.332 . . . . 0.0 109.679 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -65.04 -52.07 57.95 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 119.017 -0.516 . . . . 0.0 110.507 178.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.66 -39.23 76.6 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 118.455 0.571 . . . . 0.0 109.63 -179.707 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 36.9 mmtm -64.54 -51.38 63.18 Favored 'General case' 0 N--CA 1.441 -0.906 0 C-N-CA 124.163 0.985 . . . . 0.0 109.783 -179.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.4 mtm -60.81 -44.09 97.35 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-O 118.854 -0.593 . . . . 0.0 109.865 178.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 45.4 tptt -56.32 -47.74 78.11 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 107.039 -1.467 . . . . 0.0 107.039 178.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.18 -50.58 45.52 Favored Glycine 0 CA--C 1.529 0.934 0 N-CA-C 110.724 -0.95 . . . . 0.0 110.724 177.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -68.61 -39.18 80.95 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 118.804 1.302 . . . . 0.0 110.83 178.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.29 -52.13 64.45 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.065 1.346 . . . . 0.0 109.617 -178.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.8 p30 -84.63 -20.11 31.88 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.555 0.742 . . . . 0.0 111.863 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.7 19.18 52.8 Favored Glycine 0 CA--C 1.531 1.056 0 C-N-CA 124.79 1.186 . . . . 0.0 113.633 178.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.4 t -100.71 37.33 1.73 Allowed 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 118.636 1.218 . . . . 0.0 110.701 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -165.08 163.04 20.6 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 125.052 1.341 . . . . 0.0 107.49 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.14 -179.01 28.31 Favored Glycine 0 C--N 1.335 0.524 0 CA-C-O 121.682 0.601 . . . . 0.0 112.367 -179.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -178.91 175.42 47.32 Favored Glycine 0 N--CA 1.424 -2.147 0 C-N-CA 130.422 3.868 . . . . 0.0 106.929 -178.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -43.15 -50.66 6.22 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 125.414 1.485 . . . . 0.0 111.955 -179.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -110.57 37.45 2.75 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.707 1.203 . . . . 0.0 111.158 -179.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.79 -40.36 20.67 Favored 'General case' 0 C--N 1.342 0.273 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 -178.74 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.28 -53.35 56.44 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.165 0.586 . . . . 0.0 110.467 -178.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.09 -46.14 82.79 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 179.48 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 17.2 mmm -55.14 -58.57 7.12 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.366 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 90.8 m -50.12 -46.88 54.12 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.099 0.959 . . . . 0.0 109.257 177.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -57.81 -38.48 75.62 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.071 0.548 . . . . 0.0 110.844 178.182 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.56 -32.88 58.44 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.444 0.698 . . . . 0.0 111.683 -179.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 42.8 t -86.41 -35.75 9.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 125.991 1.717 . . . . 0.0 115.382 -176.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.1 ptmm? -52.0 -29.4 20.71 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 119.917 1.235 . . . . 0.0 113.438 -177.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 34.7 pttt -74.34 -8.19 55.41 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -112.11 141.04 46.27 Favored 'General case' 0 N--CA 1.439 -0.975 0 C-N-CA 125.441 1.497 . . . . 0.0 107.576 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 88.5 p -104.67 164.27 11.89 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 127.74 2.416 . . . . 0.0 109.449 -178.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -33.79 -50.35 0.36 Allowed 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 125.611 1.565 . . . . 0.0 114.877 -177.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.8 tp10 -66.47 -44.36 82.95 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 120.857 0.361 . . . . 0.0 110.938 -178.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -63.52 -43.78 96.19 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 74.8 mt -59.56 -48.88 79.95 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.77 0.828 . . . . 0.0 109.546 177.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -57.62 -47.75 81.33 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.169 0.587 . . . . 0.0 109.7 178.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.15 -44.27 97.58 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 15.1 mt -60.7 -49.1 78.88 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-O 119.049 -0.5 . . . . 0.0 110.736 179.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.82 -42.58 89.55 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 -178.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -55.39 -50.79 68.82 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 177.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -58.58 -56.84 16.91 Favored 'General case' 0 C--N 1.342 0.245 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.581 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 60.2 mtm -49.59 -42.62 44.98 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 118.432 0.56 . . . . 0.0 112.156 178.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.3 t -65.83 -6.97 13.69 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 117.994 -1.003 . . . . 0.0 113.073 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -107.55 5.93 27.51 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.979 1.312 . . . . 0.0 111.092 179.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.111 0 CA-C-O 117.255 -1.355 . . . . 0.0 109.39 176.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.642 0 CA-C-O 117.985 -1.007 . . . . 0.0 108.461 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -59.38 136.55 58.01 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 118.572 0.624 . . . . 0.0 110.891 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.64 -60.57 8.67 Favored Glycine 0 N--CA 1.447 -0.579 0 N-CA-C 109.994 -1.242 . . . . 0.0 109.994 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -49.36 -45.64 46.08 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 117.52 0.66 . . . . 0.0 110.804 -179.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.02 -37.79 77.73 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 112.408 0.521 . . . . 0.0 112.408 -179.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 58.8 mt -74.81 -45.35 44.08 Favored 'General case' 0 N--CA 1.438 -1.051 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 178.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -57.29 -22.31 40.85 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 -176.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.1 mtmm -53.64 -34.87 60.05 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 121.232 -0.918 . . . . 0.0 110.657 178.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.32 -4.68 15.22 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.984 1.313 . . . . 0.0 113.565 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.1 m -111.34 -38.36 5.01 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 127.112 2.165 . . . . 0.0 110.649 -175.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.2 mp -45.7 -32.37 1.27 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 C-N-CA 125.505 1.522 . . . . 0.0 110.827 178.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -50.82 -43.7 48.18 Favored Glycine 0 CA--C 1.537 1.418 0 CA-C-N 118.343 0.519 . . . . 0.0 112.123 177.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.1 m -95.35 -44.1 7.72 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 117.809 0.804 . . . . 0.0 110.105 179.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 -65.96 -20.37 66.18 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.741 0.816 . . . . 0.0 113.169 -176.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 73.09 102.57 0.07 OUTLIER Glycine 0 CA--C 1.526 0.772 0 N-CA-C 115.806 1.082 . . . . 0.0 115.806 174.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 66.13 -48.72 0.42 Allowed 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 128.512 2.725 . . . . 0.0 114.491 176.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -146.56 -65.1 0.29 Allowed 'General case' 0 N--CA 1.435 -1.214 0 C-N-CA 127.602 2.361 . . . . 0.0 106.697 -178.434 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -179.93 32.78 0.06 OUTLIER Glycine 0 CA--C 1.52 0.346 0 N-CA-C 108.334 -1.906 . . . . 0.0 108.334 177.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 86.5 p -78.67 -32.81 47.32 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 124.694 1.197 . . . . 0.0 111.586 -177.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -90.61 135.76 33.5 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-O 121.456 0.646 . . . . 0.0 109.867 -178.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.84 83.38 0.92 Allowed 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 105.392 -2.077 . . . . 0.0 105.392 177.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -33.82 128.82 0.34 Allowed 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 125.786 1.634 . . . . 0.0 114.478 -175.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 96.1 mmm 20.09 -77.6 0.0 OUTLIER 'General case' 0 C--N 1.343 0.317 0 C-N-CA 130.36 3.464 . . . . 0.0 113.193 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.53 44.37 1.7 Allowed Glycine 0 CA--C 1.534 1.246 0 CA-C-N 118.533 0.606 . . . . 0.0 111.956 178.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.7 p 48.22 53.54 11.63 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 126.503 1.921 . . . . 0.0 111.516 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.29 149.22 29.39 Favored 'General case' 0 N--CA 1.448 -0.564 0 N-CA-C 114.177 1.176 . . . . 0.0 114.177 -179.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.0 mtmm -61.59 122.97 74.7 Favored Pre-proline 0 CA--C 1.535 0.38 0 N-CA-C 102.936 -2.987 . . . . 0.0 102.936 173.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_exo -37.12 109.15 0.06 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.519 0 C-N-CA 123.54 2.827 . . . . 0.0 112.327 -178.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 76.9 t -58.84 -34.06 51.24 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -178.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.2 tmtm? -66.21 89.23 0.13 Allowed 'General case' 0 CA--C 1.515 -0.399 0 CA-C-O 122.574 1.178 . . . . 0.0 108.082 174.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 134.69 -11.56 4.57 Favored Glycine 0 CA--C 1.523 0.572 0 CA-C-N 112.647 -2.069 . . . . 0.0 113.178 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -67.85 147.52 52.42 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 119.598 1.699 . . . . 0.0 106.82 178.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.93 144.9 17.32 Favored Glycine 0 N--CA 1.475 1.296 0 CA-C-O 118.54 -1.145 . . . . 0.0 114.124 -175.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.19 -48.3 9.25 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 119.837 1.819 . . . . 0.0 113.364 -177.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -59.82 -44.41 94.04 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -59.95 -64.68 0.86 Allowed 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 179.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 53.6 mt -44.34 -48.28 9.66 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 127.107 2.163 . . . . 0.0 110.603 -179.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -69.54 -49.75 51.41 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 119.054 -0.498 . . . . 0.0 111.99 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -60.27 -40.32 89.95 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 118.793 0.724 . . . . 0.0 109.7 -179.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 41.0 mmtm -66.02 -51.4 58.65 Favored 'General case' 0 N--CA 1.437 -1.085 0 C-N-CA 124.962 1.305 . . . . 0.0 109.506 -179.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 53.9 mtm -63.7 -38.65 91.91 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-O 117.726 -1.13 . . . . 0.0 110.061 178.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -60.5 -44.82 95.57 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 121.156 1.798 . . . . 0.0 106.889 177.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -51.71 -48.64 49.76 Favored Glycine 0 CA--C 1.532 1.115 0 N-CA-C 110.423 -1.071 . . . . 0.0 110.423 176.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -71.26 -37.44 71.93 Favored 'General case' 0 CA--C 1.534 0.329 0 O-C-N 121.116 -1.226 . . . . 0.0 110.841 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.19 -60.38 3.47 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 126.472 1.909 . . . . 0.0 110.543 -177.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -144.05 25.2 1.6 Allowed 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 -176.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -131.32 18.76 4.93 Favored Glycine 0 CA--C 1.526 0.729 0 CA-C-N 119.177 0.898 . . . . 0.0 112.881 -178.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.0 t 39.2 42.59 0.77 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 127.503 2.321 . . . . 0.0 112.098 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -65.36 160.1 22.59 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 176.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -121.61 -177.77 15.6 Favored Glycine 0 C--N 1.338 0.688 0 N-CA-C 116.862 1.505 . . . . 0.0 116.862 -177.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 165.06 175.61 35.93 Favored Glycine 0 N--CA 1.425 -2.047 1 C-N-CA 131.291 4.281 . . . . 0.0 106.055 -177.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -55.23 -38.47 68.5 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 124.076 0.951 . . . . 0.0 110.95 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 72.2 mtp85 -121.28 37.93 4.21 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 124.074 0.95 . . . . 0.0 110.599 -179.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -45.19 -42.79 9.53 Favored 'General case' 0 N--CA 1.439 -0.99 0 C-N-CA 125.256 1.422 . . . . 0.0 112.874 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.49 -44.98 95.07 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.516 0.727 . . . . 0.0 111.363 -178.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -63.11 -44.24 96.19 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 38.1 mmm -60.13 -60.45 3.8 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.771 179.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 19.6 m -51.8 -41.05 61.41 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-N 119.249 0.931 . . . . 0.0 110.322 177.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -58.84 -48.8 80.06 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 119.876 1.216 . . . . 0.0 110.257 178.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.18 -40.87 90.78 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -179.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 71.5 t -79.55 -41.23 22.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 125.85 1.66 . . . . 0.0 114.713 -175.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -56.1 -30.72 62.46 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 119.453 1.024 . . . . 0.0 111.572 -177.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.9 ptmm? -80.5 9.96 5.31 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 118.962 -0.542 . . . . 0.0 112.157 178.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -121.01 141.02 51.12 Favored 'General case' 0 N--CA 1.441 -0.899 0 C-N-CA 125.394 1.478 . . . . 0.0 107.121 177.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 53.9 p -93.14 168.29 11.21 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 127.654 2.381 . . . . 0.0 109.534 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -47.81 -41.52 23.86 Favored 'General case' 0 C--O 1.224 -0.282 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -61.83 -54.57 40.35 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 118.403 0.547 . . . . 0.0 109.713 179.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -55.47 -51.04 68.27 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.997 0.919 . . . . 0.0 109.793 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 70.6 mt -58.99 -48.25 82.23 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.454 1.102 . . . . 0.0 110.709 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 29.2 tptp -62.34 -40.36 96.12 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.91 -47.87 78.87 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.9 mt -58.31 -52.16 66.78 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-O 119.268 -0.396 . . . . 0.0 110.787 179.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.51 -42.45 98.82 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 119.198 -0.43 . . . . 0.0 110.205 -178.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -53.56 -48.88 68.74 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 177.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -62.06 -59.23 5.38 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 178.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 68.2 mtm -49.96 -30.98 11.47 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.631 0.974 . . . . 0.0 113.631 178.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.8 t -68.86 -22.48 64.21 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 120.617 -1.302 . . . . 0.0 112.379 -179.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.5 ptpp? -112.46 29.09 8.21 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.242 1.017 . . . . 0.0 109.493 178.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 21.1 tp . . . . . 0 C--O 1.251 1.169 0 C-N-CA 126.246 1.818 . . . . 0.0 111.379 -179.425 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.124 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -169.68 153.44 5.0 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 105.752 -1.944 . . . . 0.0 105.752 -172.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 81.89 83.97 0.8 Allowed Glycine 0 N--CA 1.438 -1.229 1 N-CA-C 100.687 -4.965 . . . . 0.0 100.687 -174.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 119.29 -26.7 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 130.619 3.568 . . . . 0.0 107.901 -173.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.44 -34.41 17.51 Favored 'General case' 0 C--N 1.348 0.512 0 C-N-CA 118.937 -1.105 . . . . 0.0 109.603 -177.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.2 mp -75.56 -28.03 58.84 Favored 'General case' 0 N--CA 1.44 -0.97 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.313 -177.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -78.07 -11.36 59.91 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 -178.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -49.36 -48.93 46.37 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 119.365 0.984 . . . . 0.0 112.6 -178.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.5 m -74.96 19.24 0.15 Allowed 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 114.212 1.19 . . . . 0.0 114.212 -177.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.5 m -120.66 -35.14 3.44 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 126.418 1.887 . . . . 0.0 108.594 -177.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.9 mm -48.37 -34.17 4.98 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 C-N-CA 126.069 1.748 . . . . 0.0 109.378 176.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -50.35 -42.2 41.67 Favored Glycine 0 CA--C 1.534 1.249 0 C-N-CA 123.581 0.61 . . . . 0.0 112.597 178.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.9 m -98.22 -43.07 7.13 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 118.119 0.96 . . . . 0.0 110.908 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -80.83 -11.05 59.66 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 114.912 1.449 . . . . 0.0 114.912 -175.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.1 163.4 32.29 Favored Glycine 0 CA--C 1.528 0.878 0 CA-C-N 119.181 0.9 . . . . 0.0 111.299 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -41.55 -62.7 0.83 Allowed 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 125.37 1.468 . . . . 0.0 112.138 -178.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -88.89 27.14 1.39 Allowed 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 125.48 1.512 . . . . 0.0 111.499 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 44.35 28.08 1.36 Allowed Glycine 0 CA--C 1.534 1.263 0 C-N-CA 125.404 1.478 . . . . 0.0 115.056 179.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.6 p -95.91 -20.59 18.65 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 126.163 1.785 . . . . 0.0 112.867 -176.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 49.2 tttm -68.38 125.83 27.7 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.68 80.7 1.11 Allowed 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 106.886 -1.524 . . . . 0.0 106.886 178.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -33.39 126.85 0.36 Allowed 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 126.938 2.095 . . . . 0.0 114.699 -177.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 20.6 mmt 27.47 -83.35 0.0 OUTLIER 'General case' 0 C--N 1.342 0.239 0 C-N-CA 130.249 3.42 . . . . 0.0 113.299 179.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.23 43.79 1.81 Allowed Glycine 0 CA--C 1.531 1.054 0 CA-C-N 118.779 0.718 . . . . 0.0 111.873 179.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 33.1 m 52.04 56.03 8.37 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 125.442 1.497 . . . . 0.0 111.187 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.74 141.34 44.49 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.7 mtmm -57.84 112.67 5.09 Favored Pre-proline 0 CA--C 1.54 0.566 0 N-CA-C 104.858 -2.275 . . . . 0.0 104.858 173.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -37.0 111.95 0.09 OUTLIER 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 124.092 3.195 . . . . 0.0 112.277 -176.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.4 m -68.29 -23.79 28.94 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 -178.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.0 tptt -49.59 105.74 0.09 Allowed 'General case' 0 CA--C 1.517 -0.321 0 CA-C-O 122.481 1.134 . . . . 0.0 112.669 175.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 89.18 10.66 65.84 Favored Glycine 0 N--CA 1.445 -0.749 0 CA-C-N 113.22 -1.809 . . . . 0.0 112.209 176.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -64.45 148.59 50.23 Favored 'General case' 0 CA--C 1.551 1.019 0 N-CA-C 104.74 -2.319 . . . . 0.0 104.74 177.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.42 138.46 36.2 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 120.056 -1.653 . . . . 0.0 112.599 -176.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.94 -45.4 41.71 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 120.298 2.049 . . . . 0.0 111.445 179.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -62.29 -43.08 99.64 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 178.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -59.46 -59.26 5.73 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.997 1.319 . . . . 0.0 108.032 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 62.0 mt -49.56 -48.42 48.57 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 127.3 2.24 . . . . 0.0 110.064 178.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -61.12 -54.58 42.73 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 122.773 0.429 . . . . 0.0 110.597 179.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -57.59 -38.15 74.41 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 121.014 0.435 . . . . 0.0 110.055 -179.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -68.08 -54.94 14.54 Favored 'General case' 0 N--CA 1.44 -0.956 0 C-N-CA 123.723 0.809 . . . . 0.0 110.688 -178.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 76.3 mtm -62.88 -33.85 76.17 Favored 'General case' 0 C--O 1.218 -0.562 0 CA-C-O 118.289 -0.862 . . . . 0.0 109.394 178.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 44.8 tttp -61.09 -50.76 71.94 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 106.895 -1.52 . . . . 0.0 106.895 176.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.72 -44.92 60.75 Favored Glycine 0 CA--C 1.531 1.082 0 C-N-CA 124.016 0.817 . . . . 0.0 111.452 178.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -70.86 -47.6 58.38 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 118.359 1.08 . . . . 0.0 109.34 178.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.21 -52.5 15.7 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 126.393 1.877 . . . . 0.0 110.202 -179.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.4 p30 -89.56 3.66 51.8 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.805 0.842 . . . . 0.0 112.728 -179.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 65.12 16.76 62.64 Favored Glycine 0 CA--C 1.532 1.144 0 C-N-CA 124.069 0.843 . . . . 0.0 114.643 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 12.6 t -79.83 -25.22 40.88 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 119.183 1.491 . . . . 0.0 109.938 179.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -118.67 130.91 56.11 Favored 'General case' 0 C--N 1.341 0.212 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 179.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 167.7 -179.07 41.31 Favored Glycine 0 N--CA 1.448 -0.532 0 CA-C-O 122.247 0.915 . . . . 0.0 113.726 176.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -176.31 -169.74 38.13 Favored Glycine 0 N--CA 1.427 -1.938 1 C-N-CA 132.907 5.051 . . . . 0.0 107.706 -177.012 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -58.0 -56.43 22.14 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.969 0.908 . . . . 0.0 112.665 -178.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.4 mtp-105 -58.76 -48.0 82.73 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 123.037 1.399 . . . . 0.0 108.1 -179.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.4 mttm -59.09 -12.63 5.18 Favored 'General case' 0 N--CA 1.439 -1.007 0 C-N-CA 128.98 2.912 . . . . 0.0 112.721 178.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.48 -40.47 66.9 Favored 'General case' 0 C--N 1.339 0.133 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 177.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 21.0 mmt -60.1 -44.9 94.5 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 106.933 -1.506 . . . . 0.0 106.933 177.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 31.3 mmm -56.72 -57.29 13.05 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.637 177.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 87.2 m -46.91 -47.95 21.43 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.719 0.808 . . . . 0.0 109.228 177.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.84 -42.84 99.54 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 118.338 0.517 . . . . 0.0 110.832 179.104 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.1 -36.83 85.54 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.371 0.668 . . . . 0.0 111.498 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 54.7 t -84.35 -31.1 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 C-N-CA 127.162 2.185 . . . . 0.0 114.46 -176.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.4 tptt -51.13 -32.47 22.99 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 119.595 1.089 . . . . 0.0 113.928 -176.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.6 ptpp? -69.94 -14.75 62.86 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -102.11 -176.49 3.13 Favored 'General case' 0 N--CA 1.441 -0.897 0 C-N-CA 125.673 1.589 . . . . 0.0 108.761 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 28.8 t -161.62 172.12 16.84 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 128.617 2.767 . . . . 0.0 105.708 -179.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -36.04 -44.98 0.4 Allowed 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 126.995 2.118 . . . . 0.0 115.031 -176.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -68.32 -44.37 75.54 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 121.765 0.793 . . . . 0.0 111.512 -178.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.6 mp0 -69.71 -41.49 75.3 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 -178.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.4 mp -54.73 -49.81 69.88 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 126.528 1.931 . . . . 0.0 109.44 175.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -58.94 -49.25 78.55 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 178.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.91 -45.32 90.58 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 17.8 mt -61.57 -55.38 31.42 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-O 119.239 -0.41 . . . . 0.0 111.931 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.93 -43.21 91.13 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-O 118.717 -0.659 . . . . 0.0 109.551 -178.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -53.25 -49.02 67.72 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 178.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -64.92 -70.67 0.22 Allowed 'General case' 0 N--CA 1.45 -0.468 0 O-C-N 123.078 0.236 . . . . 0.0 111.235 178.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 7.5 ttp -46.34 -36.03 5.97 Favored 'General case' 0 C--O 1.224 -0.255 0 C-N-CA 125.517 1.527 . . . . 0.0 113.069 -177.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.1 t -56.99 -37.76 72.09 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.122 -0.987 . . . . 0.0 109.436 178.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -80.74 -46.9 14.74 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 106.503 -1.666 . . . . 0.0 106.503 175.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.168 0 C-N-CA 130.1 3.36 . . . . 0.0 108.871 -178.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.639 0 CA-C-O 117.166 -1.397 . . . . 0.0 107.552 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -33.55 94.17 0.01 OUTLIER 'General case' 0 C--O 1.223 -0.319 0 C-N-CA 127.885 2.474 . . . . 0.0 113.89 -178.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -38.87 -47.38 2.41 Favored Glycine 0 C--N 1.34 0.762 0 C-N-CA 126.331 1.919 . . . . 0.0 112.908 -178.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.63 -28.16 20.19 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 -179.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -87.41 -27.52 22.7 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 119.607 1.094 . . . . 0.0 109.592 -179.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.5 mp -75.46 -45.96 35.47 Favored 'General case' 0 N--CA 1.437 -1.115 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -60.23 -15.2 22.41 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.586 0.958 . . . . 0.0 113.586 -177.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.1 mmtp -53.52 -38.26 63.57 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 121.225 -0.922 . . . . 0.0 110.747 177.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.6 p -67.32 -13.1 61.69 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.3 m -104.55 -38.76 6.64 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 126.995 2.118 . . . . 0.0 110.758 -174.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -44.72 -31.74 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 C-N-CA 125.966 1.706 . . . . 0.0 111.898 179.456 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -58.69 -44.49 95.68 Favored Glycine 0 CA--C 1.535 1.3 0 CA-C-N 118.375 0.534 . . . . 0.0 111.897 177.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.8 t -86.07 -39.14 17.08 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 117.958 0.879 . . . . 0.0 110.407 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -74.64 -22.58 58.83 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 113.95 1.093 . . . . 0.0 113.95 -177.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.04 78.68 0.67 Allowed Glycine 0 N--CA 1.451 -0.359 0 O-C-N 121.404 -0.81 . . . . 0.0 113.114 178.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 45.99 -92.83 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.732 1.613 . . . . 0.0 112.381 176.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.5 p-10 -83.14 47.71 1.27 Allowed 'General case' 0 N--CA 1.434 -1.242 0 C-N-CA 127.202 2.201 . . . . 0.0 110.194 -179.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 32.05 40.11 0.07 OUTLIER Glycine 0 CA--C 1.523 0.544 0 C-N-CA 127.937 2.684 . . . . 0.0 115.271 178.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 62.1 m -97.63 -24.25 15.61 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.6 0.76 . . . . 0.0 112.719 -177.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -76.08 128.17 34.45 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 107.401 -1.333 . . . . 0.0 107.401 178.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.46 85.19 0.6 Allowed 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 106.329 -1.73 . . . . 0.0 106.329 178.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -41.76 132.36 2.99 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 126.479 1.912 . . . . 0.0 114.713 -176.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 49.9 tpp 27.83 -65.45 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.408 1 C-N-CA 132.519 4.328 . . . . 0.0 116.965 178.628 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.74 -29.86 69.01 Favored Glycine 0 CA--C 1.521 0.466 0 O-C-N 121.364 -0.835 . . . . 0.0 112.328 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 71.0 m 117.14 56.83 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 131.007 3.723 . . . . 0.0 103.503 -176.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.48 137.91 41.58 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 -176.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.98 113.62 7.23 Favored Pre-proline 0 N--CA 1.445 -0.683 0 N-CA-C 102.089 -3.3 . . . . 0.0 102.089 173.611 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_exo -26.52 107.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 125.042 3.828 . . . . 0.0 112.921 -176.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 90.4 t -61.12 -33.85 57.81 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 N-CA-C 106.351 -1.722 . . . . 0.0 106.351 -179.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -60.45 106.45 0.54 Allowed 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 121.989 0.9 . . . . 0.0 109.735 175.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 114.55 -10.25 21.75 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 113.472 -1.694 . . . . 0.0 111.671 177.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -63.71 144.24 57.19 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 105.954 -1.869 . . . . 0.0 105.954 177.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -42.84 -97.88 0.01 OUTLIER Glycine 0 CA--C 1.539 1.588 0 N-CA-C 118.711 2.244 . . . . 0.0 118.711 -173.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 178.86 -59.51 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 128.894 2.878 . . . . 0.0 104.337 179.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -57.65 -42.53 83.64 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 106.283 -1.747 . . . . 0.0 106.283 175.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 66.9 tt0 -55.68 -68.05 0.23 Allowed 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 176.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 mt -46.02 -42.76 13.67 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 124.026 0.93 . . . . 0.0 112.257 -179.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -70.91 -45.16 64.75 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 123.601 0.76 . . . . 0.0 111.537 -178.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -64.82 -39.13 93.08 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 -179.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.8 mmmm -67.6 -48.31 67.18 Favored 'General case' 0 N--CA 1.437 -1.093 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 -179.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 50.6 mtm -62.39 -40.45 96.53 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-O 118.156 -0.926 . . . . 0.0 109.923 177.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -58.93 -43.84 91.24 Favored 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 107.748 -1.205 . . . . 0.0 107.748 178.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -54.36 -49.64 59.54 Favored Glycine 0 CA--C 1.532 1.127 0 N-CA-C 110.571 -1.012 . . . . 0.0 110.571 177.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -66.39 -50.91 61.88 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 118.287 1.043 . . . . 0.0 109.652 178.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.71 -53.46 7.28 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 127.747 2.419 . . . . 0.0 110.583 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -87.34 6.77 31.94 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.416 1.086 . . . . 0.0 112.652 -177.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.76 30.65 63.06 Favored Glycine 0 CA--C 1.531 1.044 0 CA-C-N 119.042 0.837 . . . . 0.0 112.575 -179.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.9 t -99.13 -14.12 19.5 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.501 1.12 . . . . 0.0 111.22 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -135.41 129.64 33.61 Favored 'General case' 0 CA--C 1.519 -0.218 0 N-CA-C 106.291 -1.744 . . . . 0.0 106.291 179.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 167.94 -176.93 42.41 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-O 122.288 0.938 . . . . 0.0 113.46 176.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -174.7 -168.35 35.29 Favored Glycine 0 N--CA 1.426 -2.02 1 C-N-CA 132.325 4.774 . . . . 0.0 107.882 -177.116 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -57.57 -58.83 6.6 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 124.269 1.028 . . . . 0.0 112.824 -178.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -61.13 -47.28 86.96 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 122.736 1.255 . . . . 0.0 107.813 -177.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -56.56 -12.73 1.9 Allowed 'General case' 0 N--CA 1.436 -1.128 0 C-N-CA 129.879 3.272 . . . . 0.0 111.798 176.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.13 -38.59 60.99 Favored 'General case' 0 C--N 1.342 0.282 0 O-C-N 120.799 -1.188 . . . . 0.0 107.902 177.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 59.8 mtt -60.98 -43.76 98.35 Favored 'General case' 0 C--N 1.341 0.219 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 177.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.3 mmm -55.13 -61.79 2.09 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 114.759 -1.109 . . . . 0.0 109.047 177.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 91.2 m -46.15 -50.07 16.0 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.181 0.992 . . . . 0.0 110.141 177.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -56.87 -40.21 75.76 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 122.968 0.507 . . . . 0.0 111.233 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.24 -58.16 3.81 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 122.102 0.953 . . . . 0.0 108.971 178.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 61.1 t -48.87 -41.98 13.45 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 C-N-CA 127.072 2.149 . . . . 0.0 113.29 -177.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.2 pttp -55.65 -22.94 25.28 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 120.075 1.307 . . . . 0.0 113.202 -179.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 41.4 tttm -65.11 -28.15 69.24 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 118.893 0.769 . . . . 0.0 111.604 178.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -100.15 144.77 28.78 Favored 'General case' 0 N--CA 1.432 -1.35 0 C-N-CA 126.763 2.025 . . . . 0.0 110.357 -175.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 89.3 p -97.63 165.29 12.04 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 127.815 2.446 . . . . 0.0 109.09 179.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -40.92 -50.33 3.25 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.46 1.104 . . . . 0.0 113.278 -179.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -59.43 -51.33 70.35 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 121.378 0.609 . . . . 0.0 110.204 -179.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -60.28 -44.6 95.2 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 123.097 0.559 . . . . 0.0 110.245 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 49.0 mt -58.97 -48.2 82.38 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.778 0.831 . . . . 0.0 109.641 178.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 46.6 tptt -61.94 -40.62 96.15 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.04 -42.8 89.08 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.1 mt -57.93 -58.91 6.32 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 177.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -50.7 -49.67 56.9 Favored 'General case' 0 CA--C 1.531 0.229 0 O-C-N 123.405 0.441 . . . . 0.0 110.41 -178.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -51.96 -44.23 63.88 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 176.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -66.16 -54.73 21.87 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 118.402 -0.809 . . . . 0.0 109.193 177.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.6 mpp? -51.65 -27.38 11.32 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 120.243 1.383 . . . . 0.0 112.831 177.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.6 t -56.58 -28.42 60.22 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 120.462 -1.399 . . . . 0.0 110.078 176.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 41.4 mttp -107.04 40.62 1.62 Allowed 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 127.559 2.344 . . . . 0.0 109.348 179.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.0 tp . . . . . 0 C--O 1.25 1.108 0 C-N-CA 125.4 1.48 . . . . 0.0 109.905 179.215 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.758 0 CA-C-O 116.731 -1.604 . . . . 0.0 107.213 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -32.5 95.66 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 127.15 2.18 . . . . 0.0 113.369 -178.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -49.42 -46.29 36.43 Favored Glycine 0 CA--C 1.525 0.685 0 C-N-CA 123.991 0.805 . . . . 0.0 111.557 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.6 -35.2 40.54 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.069 0.948 . . . . 0.0 112.123 179.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.93 -19.02 35.41 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 118.847 -0.596 . . . . 0.0 111.059 -177.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.7 mt -90.78 -27.88 18.6 Favored 'General case' 0 N--CA 1.434 -1.24 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 -178.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.414 ' CE1' ' SD ' ' A' ' 76' ' ' MET . 0.8 OUTLIER -73.52 -13.96 61.13 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 114.241 1.2 . . . . 0.0 114.241 178.916 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -52.11 -45.49 64.92 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 120.996 -1.065 . . . . 0.0 112.796 -178.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 p -64.18 -19.63 65.46 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.087 0.955 . . . . 0.0 112.533 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.7 m -91.7 -40.87 11.02 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 126.635 1.974 . . . . 0.0 109.42 -176.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -46.38 -32.55 1.65 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 C-N-CA 125.508 1.523 . . . . 0.0 110.909 179.642 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -51.06 -45.19 51.39 Favored Glycine 0 CA--C 1.534 1.251 0 N-CA-C 111.89 -0.484 . . . . 0.0 111.89 177.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 13.7 m -91.3 -42.34 10.43 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 117.846 0.823 . . . . 0.0 110.182 179.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 61.4 m-70 -70.77 -15.45 62.67 Favored 'General case' 0 N--CA 1.432 -1.374 0 C-N-CA 126.369 1.867 . . . . 0.0 115.347 -175.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 65.18 107.64 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 N-CA-C 116.933 1.533 . . . . 0.0 116.933 175.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 56.76 -67.29 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 128.486 2.714 . . . . 0.0 114.28 176.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -151.58 75.82 1.18 Allowed 'General case' 0 N--CA 1.433 -1.324 0 C-N-CA 127.488 2.315 . . . . 0.0 106.749 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 42.33 30.34 0.8 Allowed Glycine 0 C--N 1.337 0.611 0 C-N-CA 126.315 1.912 . . . . 0.0 115.981 178.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 93.9 p -86.33 -35.32 19.92 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.654 0.782 . . . . 0.0 112.755 -177.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 47.6 tttm -79.11 137.34 37.45 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 121.612 0.72 . . . . 0.0 110.059 -178.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.45 85.24 1.12 Allowed 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 106.621 -1.622 . . . . 0.0 106.621 177.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -42.28 134.37 2.91 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 115.261 1.578 . . . . 0.0 115.261 -176.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 10.6 tpt 24.55 -80.89 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 131.042 3.737 . . . . 0.0 115.323 178.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.04 -35.06 53.35 Favored Glycine 0 CA--C 1.528 0.845 0 CA-C-O 119.866 -0.408 . . . . 0.0 112.161 -179.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 74.2 m 122.3 57.45 0.0 OUTLIER 'General case' 0 CA--C 1.527 0.066 0 C-N-CA 131.611 3.964 . . . . 0.0 106.095 -179.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.97 140.68 48.03 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 113.931 1.085 . . . . 0.0 113.931 -177.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.5 pttp -64.0 113.63 10.85 Favored Pre-proline 0 CA--C 1.541 0.603 0 N-CA-C 101.069 -3.678 . . . . 0.0 101.069 170.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_exo -30.84 122.05 0.07 OUTLIER 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 124.49 3.46 . . . . 0.0 113.054 -174.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.4 m -62.33 -28.46 44.65 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 N-CA-C 106.337 -1.727 . . . . 0.0 106.337 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.4 tttp -57.76 108.64 0.59 Allowed 'General case' 0 N--CA 1.446 -0.657 0 CA-C-O 121.526 0.679 . . . . 0.0 109.899 172.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 118.58 -24.87 8.34 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 114.096 -1.411 . . . . 0.0 109.787 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -67.27 144.63 55.82 Favored 'General case' 0 N--CA 1.439 -1.023 0 N-CA-C 106.523 -1.658 . . . . 0.0 106.523 177.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -85.69 151.38 25.16 Favored Glycine 0 N--CA 1.469 0.865 0 CA-C-O 119.178 -0.79 . . . . 0.0 113.375 -176.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -46.26 -52.03 13.34 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-N 119.385 1.593 . . . . 0.0 111.44 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -55.67 -47.11 77.27 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -57.42 -61.53 2.42 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 124.567 1.147 . . . . 0.0 109.144 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.6 mt -53.5 -42.21 67.08 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 124.884 1.274 . . . . 0.0 111.59 -179.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -70.42 -43.52 69.77 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 124.26 1.024 . . . . 0.0 110.627 -178.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 66.5 tttm -64.68 -41.7 95.87 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 -179.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -69.89 -45.54 67.4 Favored 'General case' 0 N--CA 1.439 -1.007 0 C-N-CA 122.943 0.497 . . . . 0.0 110.34 -178.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 53.9 mtm -63.84 -42.58 97.57 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-O 118.021 -0.99 . . . . 0.0 109.579 178.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -56.97 -47.55 80.47 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 106.46 -1.681 . . . . 0.0 106.46 176.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -51.3 -41.83 48.47 Favored Glycine 0 CA--C 1.531 1.036 0 C-N-CA 124.045 0.831 . . . . 0.0 111.433 177.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -77.79 -38.93 45.58 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 119.494 1.647 . . . . 0.0 110.297 177.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.92 -49.63 62.7 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.241 1.416 . . . . 0.0 108.224 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -83.73 -29.12 27.76 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.76 0.824 . . . . 0.0 110.991 178.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.09 18.56 28.8 Favored Glycine 0 CA--C 1.531 1.071 0 C-N-CA 124.632 1.11 . . . . 0.0 114.001 177.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 21.9 t -90.61 -18.19 25.59 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 118.317 1.059 . . . . 0.0 112.084 179.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -102.54 158.17 16.41 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 119.622 1.101 . . . . 0.0 109.652 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -130.08 -173.12 13.3 Favored Glycine 0 C--N 1.339 0.702 0 C-N-CA 123.866 0.746 . . . . 0.0 113.922 -178.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 160.57 174.6 30.59 Favored Glycine 0 N--CA 1.427 -1.928 0 C-N-CA 128.41 2.91 . . . . 0.0 108.656 -177.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 -47.27 -45.52 24.0 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 126.902 2.081 . . . . 0.0 111.71 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 83.3 mmt-85 -124.14 39.15 4.04 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 123.632 0.773 . . . . 0.0 110.255 -178.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -49.98 -37.8 34.03 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.632 0.773 . . . . 0.0 112.793 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.77 -53.58 48.67 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 123.167 0.587 . . . . 0.0 109.824 -179.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 15.2 tpt -56.76 -45.75 81.87 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 18.3 mmm -56.98 -51.68 68.25 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 124.091 0.956 . . . . 0.0 110.657 179.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 75.1 m -55.38 -49.41 72.38 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 178.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -56.61 -34.66 67.44 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 122.554 0.341 . . . . 0.0 110.364 177.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.45 -45.79 61.69 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 122.996 0.518 . . . . 0.0 111.573 -179.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.5 m -92.07 -16.22 7.97 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-O 117.714 -1.136 . . . . 0.0 113.934 -175.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -50.8 -33.31 22.91 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 121.035 1.743 . . . . 0.0 113.154 -176.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.4 pttp -74.94 -2.63 27.94 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.416 0.687 . . . . 0.0 112.762 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 19.2 m-30 -112.6 139.81 47.88 Favored 'General case' 0 N--CA 1.438 -1.064 0 C-N-CA 125.896 1.678 . . . . 0.0 107.097 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 80.3 p -100.58 166.37 10.94 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 127.405 2.282 . . . . 0.0 109.696 -179.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -39.27 -49.13 1.91 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.69 1.196 . . . . 0.0 114.072 -178.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -61.0 -49.66 76.54 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 121.473 0.654 . . . . 0.0 110.317 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -59.68 -51.89 67.87 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 55.5 mt -54.53 -51.09 66.26 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 124.952 1.301 . . . . 0.0 111.382 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.8 ttpm? -56.13 -47.63 77.78 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.66 -41.04 92.99 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.431 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.9 tp -58.4 -48.33 80.98 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 123.753 0.821 . . . . 0.0 109.278 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.04 -45.24 89.74 Favored 'General case' 0 CA--C 1.518 -0.267 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 179.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -52.84 -48.2 67.18 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 178.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -59.56 -56.81 17.22 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 178.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.414 ' SD ' ' CE1' ' A' ' 7' ' ' TYR . 41.6 mtm -51.08 -39.9 57.13 Favored 'General case' 0 C--O 1.222 -0.384 0 C-N-CA 120.416 -0.513 . . . . 0.0 111.611 179.334 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.8 t -61.23 -9.38 4.85 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 117.91 -1.043 . . . . 0.0 113.18 -179.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 24.1 ttpp -78.23 -23.49 47.39 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 119.642 1.11 . . . . 0.0 108.675 175.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.7 mp . . . . . 0 C--O 1.251 1.164 0 CA-C-O 116.956 -1.497 . . . . 0.0 110.381 178.95 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.947 0 N-CA-C 106.208 -1.775 . . . . 0.0 106.208 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -171.27 153.42 3.63 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 105.984 -1.858 . . . . 0.0 105.984 -171.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 78.31 83.02 0.61 Allowed Glycine 0 N--CA 1.442 -0.929 1 N-CA-C 101.178 -4.769 . . . . 0.0 101.178 -174.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 106.84 -35.17 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 129.645 3.178 . . . . 0.0 106.421 -172.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -86.8 -9.84 54.91 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 118.755 -1.178 . . . . 0.0 111.213 -178.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 21.2 mt -92.48 -35.8 13.43 Favored 'General case' 0 N--CA 1.441 -0.908 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 177.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.403 ' CZ ' ' SD ' ' A' ' 76' ' ' MET . 0.7 OUTLIER -73.62 -8.55 56.42 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 116.788 2.144 . . . . 0.0 116.788 -177.404 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.49 -41.27 9.4 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 119.789 1.177 . . . . 0.0 113.348 -178.091 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.43 -43.36 81.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 122.229 1.014 . . . . 0.0 112.294 179.394 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 7.0 m -63.66 -36.08 82.65 Favored 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 127.115 2.166 . . . . 0.0 108.879 -176.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -51.37 -26.77 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.812 0 CA-C-N 114.051 -1.432 . . . . 0.0 110.277 177.125 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -55.0 -43.35 82.92 Favored Glycine 0 CA--C 1.532 1.121 0 CA-C-N 118.65 0.659 . . . . 0.0 111.82 177.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.6 m -93.97 -42.27 9.14 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 117.977 0.889 . . . . 0.0 109.976 179.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -71.49 -22.34 61.81 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 113.909 1.078 . . . . 0.0 113.909 -176.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.26 100.56 0.25 Allowed Glycine 0 CA--C 1.526 0.725 0 N-CA-C 116.04 1.176 . . . . 0.0 116.04 175.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 39.41 -77.06 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 128.767 2.827 . . . . 0.0 115.382 176.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -95.98 23.29 6.53 Favored 'General case' 0 N--CA 1.441 -0.884 0 C-N-CA 126.851 2.06 . . . . 0.0 110.615 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 52.76 40.28 56.31 Favored Glycine 0 CA--C 1.53 1.0 0 C-N-CA 125.578 1.561 . . . . 0.0 112.888 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.1 p -96.4 -27.09 15.09 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.805 1.242 . . . . 0.0 113.479 -177.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -75.2 138.04 41.69 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 121.836 0.826 . . . . 0.0 110.775 -176.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.09 82.33 0.97 Allowed 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 106.992 -1.484 . . . . 0.0 106.992 178.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -36.3 124.96 0.79 Allowed 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 125.773 1.629 . . . . 0.0 114.743 -176.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 26.5 mmt 22.63 -75.16 0.0 OUTLIER 'General case' 0 C--N 1.343 0.29 1 C-N-CA 132.014 4.125 . . . . 0.0 115.634 177.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -52.63 -29.72 33.17 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.632 -0.587 . . . . 0.0 111.632 179.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 25.8 m 111.6 62.72 0.0 OUTLIER 'General case' 0 C--O 1.232 0.139 1 C-N-CA 131.747 4.019 . . . . 0.0 106.006 -179.592 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.79 151.37 47.61 Favored 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 114.949 1.462 . . . . 0.0 114.949 -178.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.2 pttm -68.13 116.04 34.97 Favored Pre-proline 0 N--CA 1.447 -0.579 0 N-CA-C 102.371 -3.196 . . . . 0.0 102.371 170.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_exo -38.28 121.67 0.52 Allowed 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 123.514 2.809 . . . . 0.0 112.583 -177.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.4 m -65.47 -25.96 38.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 C-N-CA 119.185 -1.006 . . . . 0.0 108.328 -179.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.3 tttp -58.23 102.25 0.1 Allowed 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 122.08 0.943 . . . . 0.0 110.713 174.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 113.62 -10.48 23.66 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 113.413 -1.721 . . . . 0.0 112.113 178.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -65.53 147.34 53.57 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 106.908 -1.515 . . . . 0.0 106.908 178.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -79.27 143.01 25.67 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 120.966 -1.084 . . . . 0.0 114.54 -175.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.17 -48.66 34.35 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 119.532 1.666 . . . . 0.0 112.179 -179.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -59.71 -42.87 94.01 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 120.949 0.404 . . . . 0.0 109.922 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -61.41 -61.26 2.67 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 124.487 1.115 . . . . 0.0 108.448 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 38.2 mt -48.63 -48.32 39.54 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 127.001 2.12 . . . . 0.0 110.249 179.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -66.6 -52.42 45.48 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 123.011 0.525 . . . . 0.0 111.78 -179.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.2 ttpm? -58.0 -39.62 78.72 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 121.512 0.672 . . . . 0.0 109.759 -178.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -70.42 -50.47 38.09 Favored 'General case' 0 N--CA 1.438 -1.075 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.608 -178.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 59.8 mtm -62.19 -33.96 75.55 Favored 'General case' 0 C--O 1.22 -0.484 0 CA-C-O 118.586 -0.721 . . . . 0.0 109.931 178.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.7 tptt -63.53 -46.37 86.33 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 106.668 -1.604 . . . . 0.0 106.668 177.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -54.33 -52.96 40.89 Favored Glycine 0 CA--C 1.528 0.865 0 N-CA-C 110.431 -1.068 . . . . 0.0 110.431 176.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.0 m-30 -60.63 -44.59 96.18 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.254 1.027 . . . . 0.0 110.162 178.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.52 -45.27 66.19 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.196 0.998 . . . . 0.0 108.641 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -87.17 1.03 54.33 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.216 1.006 . . . . 0.0 112.719 -178.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.6 31.16 66.57 Favored Glycine 0 CA--C 1.534 1.27 0 CA-C-N 119.263 0.938 . . . . 0.0 111.698 -177.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.0 t -112.07 26.67 10.36 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.737 1.615 . . . . 0.0 111.613 -178.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -161.59 134.83 6.33 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 104.718 -2.327 . . . . 0.0 104.718 179.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 161.06 -176.33 37.65 Favored Glycine 0 C--N 1.336 0.533 0 CA-C-O 122.74 1.189 . . . . 0.0 115.365 177.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -177.96 -171.79 41.73 Favored Glycine 0 N--CA 1.426 -1.992 1 C-N-CA 135.291 6.186 . . . . 0.0 105.9 -177.093 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -54.15 -60.4 3.38 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 123.769 0.827 . . . . 0.0 112.161 -178.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -55.49 -42.32 74.23 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.847 0.832 . . . . 0.0 110.326 -178.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -71.81 -7.76 50.22 Favored 'General case' 0 N--CA 1.434 -1.259 0 C-N-CA 128.075 2.55 . . . . 0.0 113.615 -179.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.78 -49.47 38.6 Favored 'General case' 0 C--O 1.232 0.146 0 O-C-N 121.249 -0.907 . . . . 0.0 109.298 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 72.0 mtm -55.1 -49.83 70.73 Favored 'General case' 0 CA--C 1.529 0.139 0 N-CA-C 107.105 -1.443 . . . . 0.0 107.105 177.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 25.2 mmm -51.58 -54.67 25.19 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 125.562 1.545 . . . . 0.0 110.7 177.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 30.2 m -50.62 -53.58 29.65 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 123.266 0.626 . . . . 0.0 109.599 178.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.96 -34.72 73.64 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.691 -0.231 . . . . 0.0 110.636 179.445 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.13 -52.11 21.17 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 113.783 1.031 . . . . 0.0 113.783 -178.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.2 m -76.53 -27.58 17.29 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 C-N-CA 119.181 -1.008 . . . . 0.0 113.004 -172.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.79 -12.41 4.31 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 114.171 1.175 . . . . 0.0 114.171 -176.325 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.5 pttp -71.35 -21.18 62.07 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 119.298 0.954 . . . . 0.0 109.934 176.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -85.75 -167.51 1.88 Allowed 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 125.393 1.477 . . . . 0.0 108.288 177.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.2 m -159.27 158.08 31.82 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 127.366 2.266 . . . . 0.0 106.889 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -29.65 -48.25 0.08 Allowed 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 126.854 2.062 . . . . 0.0 115.58 -176.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -64.24 -51.35 64.07 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 119.161 0.891 . . . . 0.0 110.481 -179.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 28.2 mp0 -63.09 -42.33 99.59 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 179.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.4 mt -60.85 -43.04 98.85 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 178.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.8 ttpm? -63.02 -45.17 93.58 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 178.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.45 -46.94 85.56 Favored 'General case' 0 CA--C 1.529 0.155 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 178.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.5 mt -59.0 -52.62 64.98 Favored 'General case' 0 N--CA 1.447 -0.594 0 O-C-N 121.981 -0.449 . . . . 0.0 110.825 178.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.54 -40.62 87.81 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 -178.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -57.27 -48.66 78.31 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 177.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -57.94 -59.38 5.34 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 178.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.403 ' SD ' ' CZ ' ' A' ' 7' ' ' TYR . 67.3 mtm -54.72 -33.96 61.78 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 179.312 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.7 t -77.5 -4.17 44.22 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 121.17 -0.956 . . . . 0.0 111.901 178.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -128.05 28.45 5.54 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.557 1.943 . . . . 0.0 107.112 179.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.0 tp . . . . . 0 C--O 1.25 1.117 0 C-N-CA 126.47 1.908 . . . . 0.0 111.441 -178.189 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.756 0 CA-C-O 117.595 -1.193 . . . . 0.0 107.827 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -54.52 130.63 40.51 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 124.55 1.14 . . . . 0.0 111.672 -178.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -53.79 -60.26 8.59 Favored Glycine 0 C--N 1.337 0.622 0 N-CA-C 110.759 -0.936 . . . . 0.0 110.759 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -47.91 -43.49 28.88 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 117.18 0.49 . . . . 0.0 111.518 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.33 -42.49 98.98 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 119.401 -0.333 . . . . 0.0 111.447 -179.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 38.9 mt -69.45 -43.07 74.02 Favored 'General case' 0 N--CA 1.438 -1.047 0 CA-C-N 118.906 0.775 . . . . 0.0 108.919 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -64.62 -15.23 60.86 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 114.505 1.298 . . . . 0.0 114.505 -178.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -47.08 -42.45 18.84 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 119.823 1.192 . . . . 0.0 109.991 177.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -66.55 7.43 0.34 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 127.542 2.337 . . . . 0.0 114.036 179.429 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.0 m -131.88 -35.17 1.26 Allowed 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 126.368 1.867 . . . . 0.0 110.615 -173.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.5 mm -43.05 -35.85 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 C-N-CA 125.605 1.562 . . . . 0.0 110.478 177.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -51.95 -44.35 55.99 Favored Glycine 0 CA--C 1.536 1.369 0 CA-C-N 118.335 0.516 . . . . 0.0 112.669 178.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.2 m -89.37 -44.61 10.07 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 118.097 0.948 . . . . 0.0 111.164 -179.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 52.8 m-70 -78.65 -34.58 46.28 Favored 'General case' 0 N--CA 1.435 -1.212 0 N-CA-C 116.924 2.194 . . . . 0.0 116.924 -174.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 97.79 155.05 29.75 Favored Glycine 0 CA--C 1.531 1.053 0 N-CA-C 107.225 -2.35 . . . . 0.0 107.225 -175.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.83 -43.39 59.09 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 118.658 1.229 . . . . 0.0 110.977 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 57.7 p30 -88.38 8.38 27.97 Favored 'General case' 0 N--CA 1.436 -1.139 0 C-N-CA 129.29 3.036 . . . . 0.0 112.719 -179.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 43.33 31.07 1.39 Allowed Glycine 0 CA--C 1.527 0.819 0 C-N-CA 126.044 1.783 . . . . 0.0 113.495 -177.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.1 m -94.35 -18.28 21.75 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 123.332 0.653 . . . . 0.0 111.075 -178.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -70.45 123.2 21.2 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 178.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.53 85.34 0.62 Allowed 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 106.218 -1.771 . . . . 0.0 106.218 177.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.13 141.75 7.78 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 115.458 1.651 . . . . 0.0 115.458 -175.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 15.2 tpt 31.13 -84.81 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 130.249 3.42 . . . . 0.0 114.672 178.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.32 -33.16 64.96 Favored Glycine 0 CA--C 1.525 0.672 0 C-N-CA 123.322 0.487 . . . . 0.0 112.882 -178.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 67.8 m 119.9 60.36 0.0 OUTLIER 'General case' 0 N--CA 1.457 -0.098 0 C-N-CA 131.367 3.867 . . . . 0.0 104.086 -177.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.39 143.4 19.14 Favored 'General case' 0 N--CA 1.439 -1.022 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 -176.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -60.55 113.2 6.95 Favored Pre-proline 0 N--CA 1.448 -0.561 0 N-CA-C 101.433 -3.543 . . . . 0.0 101.433 172.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -34.95 121.06 0.16 Allowed 'Trans proline' 0 N--CA 1.454 -0.816 0 C-N-CA 123.419 2.746 . . . . 0.0 111.818 -175.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.0 t -61.7 -40.94 88.54 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 N-CA-C 105.032 -2.21 . . . . 0.0 105.032 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -49.42 115.79 1.48 Allowed 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 124.516 1.126 . . . . 0.0 109.058 173.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 105.74 -15.41 45.03 Favored Glycine 0 N--CA 1.443 -0.866 0 C-N-CA 124.83 1.205 . . . . 0.0 111.086 177.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -69.92 143.42 52.73 Favored 'General case' 0 N--CA 1.435 -1.224 0 CA-C-N 118.734 1.267 . . . . 0.0 108.026 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -86.2 148.42 22.23 Favored Glycine 0 N--CA 1.471 1.008 0 O-C-N 121.262 -0.899 . . . . 0.0 113.595 -176.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -46.92 -48.41 21.34 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 119.697 1.749 . . . . 0.0 112.211 -178.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -59.29 -47.74 84.26 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -56.91 -60.54 3.43 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 125.2 1.4 . . . . 0.0 109.157 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 35.0 mt -50.8 -49.3 58.8 Favored 'General case' 0 N--CA 1.441 -0.898 0 C-N-CA 126.789 2.036 . . . . 0.0 109.83 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -65.74 -48.25 72.55 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 119.042 -0.504 . . . . 0.0 110.95 -178.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -60.88 -40.2 92.11 Favored 'General case' 0 N--CA 1.426 -1.64 0 CA-C-N 119.492 1.042 . . . . 0.0 110.486 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -70.66 -48.31 55.5 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-O 121.144 0.497 . . . . 0.0 110.922 -178.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -64.71 -38.04 89.64 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -65.4 -41.84 93.24 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 106.701 -1.592 . . . . 0.0 106.701 176.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.17 -49.34 50.46 Favored Glycine 0 CA--C 1.529 0.926 0 N-CA-C 108.842 -1.703 . . . . 0.0 108.842 176.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -66.61 -47.12 73.66 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 118.328 1.064 . . . . 0.0 109.883 178.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -48.62 -46.91 40.35 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.557 1.143 . . . . 0.0 110.693 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -93.1 8.1 41.45 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.784 1.234 . . . . 0.0 112.661 -178.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 52.16 36.32 44.06 Favored Glycine 0 CA--C 1.533 1.195 0 C-N-CA 124.126 0.87 . . . . 0.0 113.22 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.4 t -111.43 18.8 18.83 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.472 1.509 . . . . 0.0 112.005 -178.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -160.83 139.08 9.8 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 105.611 -1.996 . . . . 0.0 105.611 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 161.49 -173.36 37.88 Favored Glycine 0 N--CA 1.447 -0.597 0 CA-C-O 122.688 1.16 . . . . 0.0 114.318 177.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.39 -174.32 38.36 Favored Glycine 0 N--CA 1.423 -2.207 1 C-N-CA 134.695 5.902 . . . . 0.0 105.674 -178.515 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -48.64 -60.09 3.0 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 124.237 1.015 . . . . 0.0 111.606 -178.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.65 -41.6 95.28 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-O 120.808 0.337 . . . . 0.0 111.235 -177.187 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.41 -15.29 10.13 Favored 'General case' 0 N--CA 1.444 -0.743 0 N-CA-C 113.253 0.835 . . . . 0.0 113.253 -179.146 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.4 -41.53 98.74 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 121.009 -1.057 . . . . 0.0 108.226 175.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 85.2 mtp -61.98 -45.93 91.48 Favored 'General case' 0 C--N 1.34 0.187 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 178.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 28.4 mmm -55.13 -53.23 58.56 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.153 178.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 89.3 m -51.04 -52.38 43.75 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 178.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -57.4 -34.34 68.78 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.027 178.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.29 -47.64 48.47 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.3 m -86.57 -21.72 7.33 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 -173.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 25.8 pttm -47.39 -29.84 2.89 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 120.016 1.28 . . . . 0.0 114.416 -176.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.7 pttm -68.76 -18.01 64.14 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -179.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -83.48 -168.52 2.14 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-O 123.789 1.756 . . . . 0.0 110.8 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 58.7 m -153.16 163.57 39.64 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 128.566 2.747 . . . . 0.0 107.897 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -36.04 -50.28 0.69 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.88 1.672 . . . . 0.0 113.767 -178.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.78 -53.87 52.08 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -178.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -56.62 -46.5 80.9 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.705 0.802 . . . . 0.0 109.464 179.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.8 mt -58.97 -48.76 80.38 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 118.063 0.392 . . . . 0.0 110.217 179.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.1 tmmm? -57.3 -46.86 82.76 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 179.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.96 -45.76 90.91 Favored 'General case' 0 N--CA 1.454 -0.242 0 O-C-N 122.044 -0.41 . . . . 0.0 110.541 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.8 mt -58.42 -49.74 76.2 Favored 'General case' 0 N--CA 1.448 -0.543 0 O-C-N 121.828 -0.545 . . . . 0.0 109.858 179.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.48 -36.87 83.86 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -58.79 -48.88 79.72 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 177.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -58.7 -60.78 3.28 Favored 'General case' 0 C--N 1.342 0.275 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 177.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 74.7 mtm -52.73 -30.81 34.53 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 178.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.8 t -70.1 -17.95 63.23 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 120.017 -1.677 . . . . 0.0 111.908 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -96.75 15.93 20.54 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 176.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.4 tp . . . . . 0 C--O 1.249 1.067 0 C-N-CA 126.076 1.751 . . . . 0.0 107.373 179.857 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.537 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -59.67 96.74 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.56 1.144 . . . . 0.0 112.066 -178.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -47.62 -47.7 23.45 Favored Glycine 0 CA--C 1.527 0.841 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 178.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.37 -29.64 58.81 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.92 -46.65 13.76 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 179.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 85.0 mt -56.36 -46.09 80.18 Favored 'General case' 0 N--CA 1.439 -0.999 0 CA-C-O 119.12 -0.467 . . . . 0.0 110.006 -178.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.462 ' CE1' ' SD ' ' A' ' 76' ' ' MET . 2.1 t80 -63.66 -14.3 50.74 Favored 'General case' 0 C--N 1.345 0.392 0 N-CA-C 114.659 1.355 . . . . 0.0 114.659 -177.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -60.35 -24.55 65.15 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 120.98 -1.075 . . . . 0.0 110.086 177.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.08 -3.26 25.23 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.814 0.846 . . . . 0.0 112.293 177.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.2 m -119.52 -34.05 3.9 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 127.323 2.249 . . . . 0.0 111.742 -174.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.1 mp -43.2 -31.39 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 C-N-CA 126.051 1.74 . . . . 0.0 110.714 177.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -50.77 -46.0 48.46 Favored Glycine 0 CA--C 1.537 1.42 0 O-C-N 121.655 -0.653 . . . . 0.0 112.475 177.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.5 m -91.74 -45.7 8.29 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 118.265 1.032 . . . . 0.0 110.675 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -75.18 -17.58 60.35 Favored 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 -175.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.9 157.16 31.41 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 109.887 -1.285 . . . . 0.0 109.887 -178.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -36.63 -59.92 0.63 Allowed 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.96 1.704 . . . . 0.0 112.997 -178.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -100.08 32.93 2.77 Favored 'General case' 0 N--CA 1.443 -0.825 0 C-N-CA 126.104 1.761 . . . . 0.0 111.747 -179.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 45.61 35.18 5.5 Favored Glycine 0 CA--C 1.53 1.015 0 C-N-CA 125.416 1.484 . . . . 0.0 114.715 178.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.3 p -86.65 -29.44 22.51 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 125.797 1.639 . . . . 0.0 113.145 -177.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -71.36 136.78 47.96 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 121.492 0.663 . . . . 0.0 110.717 -177.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.97 77.58 2.85 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 104.92 -2.252 . . . . 0.0 104.92 175.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -32.22 121.72 0.31 Allowed 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 126.194 1.798 . . . . 0.0 115.071 -175.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 26.5 mmt 22.89 -69.81 0.0 OUTLIER 'General case' 0 C--N 1.344 0.349 1 C-N-CA 132.307 4.243 . . . . 0.0 115.297 178.084 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.16 -24.89 37.64 Favored Glycine 0 CA--C 1.527 0.823 0 C-N-CA 124.017 0.818 . . . . 0.0 112.405 178.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.5 m 107.21 53.53 0.0 OUTLIER 'General case' 0 C--N 1.335 -0.054 0 C-N-CA 130.883 3.673 . . . . 0.0 106.118 -179.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.44 153.15 27.88 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 115.621 1.712 . . . . 0.0 115.621 -176.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -64.42 133.87 95.81 Favored Pre-proline 0 N--CA 1.449 -0.515 0 N-CA-C 102.533 -3.136 . . . . 0.0 102.533 172.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -49.02 113.74 1.02 Allowed 'Trans proline' 0 N--CA 1.456 -0.685 0 C-N-CA 122.531 2.154 . . . . 0.0 110.924 -176.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 37.1 t -62.88 -31.98 54.32 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 CA-C-O 118.968 -0.539 . . . . 0.0 109.925 -177.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -46.46 86.51 0.0 OUTLIER 'General case' 0 CA--C 1.522 -0.13 0 N-CA-C 115.77 1.767 . . . . 0.0 115.77 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 80.52 24.97 57.81 Favored Glycine 0 N--CA 1.436 -1.356 0 CA-C-N 111.467 -2.606 . . . . 0.0 112.577 175.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . 0.292 20.8 pt20 -75.53 96.95 3.6 Favored 'General case' 0 N--CA 1.44 -0.937 0 CA-C-N 119.672 1.736 . . . . 0.0 109.336 179.419 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 53.52 -145.33 23.66 Favored Glycine 0 CA--C 1.545 1.949 0 C-N-CA 126.319 1.914 . . . . 0.0 111.129 -174.104 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -156.69 -61.63 0.1 Allowed 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 129.989 3.316 . . . . 0.0 102.255 176.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.3 tm-20 -57.59 -37.02 72.51 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 106.877 -1.527 . . . . 0.0 106.877 174.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -59.89 -65.02 0.74 Allowed 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 178.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.26 -38.43 58.17 Favored 'General case' 0 N--CA 1.451 -0.379 0 O-C-N 121.927 -0.483 . . . . 0.0 112.077 -179.319 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -66.1 -45.31 81.66 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 118.105 0.411 . . . . 0.0 111.209 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.7 ttmt -61.28 -44.9 96.47 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 -179.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 24.7 mmtp -66.48 -48.94 68.26 Favored 'General case' 0 N--CA 1.435 -1.188 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.99 -178.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 60.8 mtm -62.5 -39.46 93.58 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-O 118.143 -0.932 . . . . 0.0 109.866 178.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -58.68 -45.03 90.34 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 107.289 -1.375 . . . . 0.0 107.289 177.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -54.08 -54.32 32.2 Favored Glycine 0 CA--C 1.534 1.236 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 177.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -61.86 -52.55 63.67 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 118.252 1.026 . . . . 0.0 109.918 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -45.74 -53.46 9.43 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 127.222 2.209 . . . . 0.0 110.797 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -84.22 5.77 25.25 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.108 0.963 . . . . 0.0 112.48 -178.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 56.98 32.27 62.34 Favored Glycine 0 CA--C 1.531 1.073 0 CA-C-N 119.097 0.862 . . . . 0.0 112.024 -179.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.2 t -108.08 10.91 28.04 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.889 1.275 . . . . 0.0 111.357 -179.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -162.11 134.07 5.53 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 -179.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 165.26 -175.08 41.14 Favored Glycine 0 N--CA 1.445 -0.756 0 CA-C-O 122.14 0.855 . . . . 0.0 112.233 177.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -176.98 -168.86 37.5 Favored Glycine 0 N--CA 1.422 -2.253 1 C-N-CA 131.555 4.407 . . . . 0.0 108.943 -176.555 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.88 -60.24 3.52 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 126.579 1.952 . . . . 0.0 113.327 -178.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.06 -41.84 73.63 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 -178.142 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -55.21 -13.74 1.42 Allowed 'General case' 0 N--CA 1.437 -1.095 0 C-N-CA 129.066 2.946 . . . . 0.0 111.913 176.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.62 -39.96 73.43 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 176.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 22.1 mmt -61.39 -43.29 99.13 Favored 'General case' 0 C--N 1.34 0.188 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 178.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 32.3 mmm -57.65 -61.48 2.48 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 177.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 64.2 m -44.11 -48.59 9.06 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.607 1.163 . . . . 0.0 109.765 177.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -60.13 -44.11 95.16 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 122.346 0.259 . . . . 0.0 111.401 179.06 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.82 -32.15 70.43 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 122.965 0.506 . . . . 0.0 111.861 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 74.8 t -84.01 -39.1 14.51 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 C-N-CA 125.841 1.656 . . . . 0.0 114.409 -175.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.1 pttp -50.83 -26.15 5.39 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 120.08 1.309 . . . . 0.0 114.183 -177.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -65.88 -21.7 66.47 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 118.425 0.557 . . . . 0.0 112.321 179.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -90.79 -169.67 2.45 Favored 'General case' 0 N--CA 1.441 -0.917 0 CA-C-O 123.855 1.788 . . . . 0.0 111.675 -178.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 38.5 m -157.47 158.65 36.15 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 129.016 2.926 . . . . 0.0 107.235 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -27.71 -54.08 0.09 Allowed 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 126.928 2.091 . . . . 0.0 115.194 -177.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -61.1 -48.98 79.16 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 121.392 0.615 . . . . 0.0 110.624 -178.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -61.39 -46.15 91.36 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 179.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 63.8 mt -57.84 -50.34 73.61 Favored 'General case' 0 C--N 1.34 0.161 0 CA-C-O 120.685 0.279 . . . . 0.0 110.462 179.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -56.68 -47.91 78.8 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 122.979 0.511 . . . . 0.0 109.681 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.39 -43.88 96.3 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -178.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 10.3 mt -58.98 -49.97 75.86 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 179.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.57 -51.2 69.54 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 117.919 0.327 . . . . 0.0 110.556 -178.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -51.33 -45.71 62.38 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 178.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -61.56 -61.59 2.42 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 177.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.462 ' SD ' ' CE1' ' A' ' 7' ' ' TYR . 66.8 mtm -47.72 -29.3 2.96 Favored 'General case' 0 C--N 1.342 0.253 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 178.279 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.0 t -56.35 -36.42 68.77 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 121.963 -0.461 . . . . 0.0 110.178 178.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.0 tmtm? -91.79 -42.9 9.84 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 175.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.058 0 C-N-CA 128.163 2.585 . . . . 0.0 109.804 -179.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.697 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -82.04 86.57 6.55 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.346 0.658 . . . . 0.0 110.561 -178.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -47.19 -51.83 13.96 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 111.346 -0.702 . . . . 0.0 111.346 179.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.84 -29.27 54.72 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 179.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.21 -42.74 18.56 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 63.3 mt -62.37 -37.37 85.44 Favored 'General case' 0 N--CA 1.436 -1.163 0 C-N-CA 123.131 0.572 . . . . 0.0 109.597 -178.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -74.25 -9.54 58.71 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 115.262 1.578 . . . . 0.0 115.262 -178.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -53.91 -35.28 61.48 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 120.352 1.433 . . . . 0.0 113.598 -177.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 p -75.43 8.61 2.67 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.878 1.271 . . . . 0.0 112.655 178.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.2 m -121.8 -35.77 3.14 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 126.307 1.843 . . . . 0.0 108.82 -175.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 21.1 mm -45.77 -32.86 1.39 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 126.085 1.754 . . . . 0.0 109.949 175.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -55.66 -38.91 73.91 Favored Glycine 0 CA--C 1.537 1.428 0 O-C-N 121.409 -0.807 . . . . 0.0 112.73 178.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 t -94.77 -46.19 7.01 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 117.951 0.876 . . . . 0.0 110.577 -179.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -77.31 -23.1 51.05 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 -176.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.05 157.94 33.89 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.411 -1.076 . . . . 0.0 110.411 -178.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.56 -44.34 25.97 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.551 1.14 . . . . 0.0 111.661 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 56.6 p-10 -100.19 19.88 15.66 Favored 'General case' 0 N--CA 1.438 -1.06 0 C-N-CA 127.792 2.437 . . . . 0.0 113.067 -178.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 49.62 20.74 2.86 Favored Glycine 0 CA--C 1.528 0.865 0 C-N-CA 124.227 0.917 . . . . 0.0 115.282 179.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.2 m -95.33 -11.27 28.08 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 117.935 0.867 . . . . 0.0 112.51 -176.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -77.81 129.64 35.69 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 107.187 -1.412 . . . . 0.0 107.187 178.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.91 86.84 1.0 Allowed 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 107.622 -1.251 . . . . 0.0 107.622 178.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -31.07 113.42 0.11 Allowed 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 127.573 2.349 . . . . 0.0 113.21 -179.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 4.5 tpt 30.97 -78.85 0.0 OUTLIER 'General case' 0 C--N 1.344 0.346 0 C-N-CA 130.613 3.565 . . . . 0.0 114.863 176.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -51.96 -35.76 41.1 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 69.1 m 120.83 64.18 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 130.935 3.694 . . . . 0.0 106.496 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.52 149.74 48.07 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 119.302 -0.959 . . . . 0.0 112.82 179.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.46 120.68 72.4 Favored Pre-proline 0 N--CA 1.448 -0.557 0 N-CA-C 101.822 -3.399 . . . . 0.0 101.822 173.142 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_exo -30.69 112.98 0.04 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 124.456 3.437 . . . . 0.0 113.613 -177.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 24.1 t -60.8 -26.24 37.82 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 179.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.2 tptt -51.71 94.87 0.01 OUTLIER 'General case' 0 CA--C 1.518 -0.258 0 C-N-CA 125.32 1.448 . . . . 0.0 113.099 176.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 97.57 13.3 44.83 Favored Glycine 0 N--CA 1.449 -0.461 0 CA-C-N 112.888 -1.96 . . . . 0.0 113.072 176.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -65.47 151.73 45.66 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 106.017 -1.846 . . . . 0.0 106.017 177.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -69.78 132.45 24.35 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 119.943 -1.723 . . . . 0.0 113.19 -176.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.32 -47.85 36.54 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 119.801 1.8 . . . . 0.0 111.206 179.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -59.98 -42.37 94.05 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.8 tt0 -60.36 -62.2 2.04 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 178.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 41.0 mt -46.83 -46.27 20.72 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 126.596 1.958 . . . . 0.0 110.022 179.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -64.4 -54.63 29.8 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 122.898 0.479 . . . . 0.0 111.968 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.4 mtpm? -57.59 -41.47 81.24 Favored 'General case' 0 N--CA 1.429 -1.493 0 CA-C-N 118.933 0.788 . . . . 0.0 110.092 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp -62.26 -50.4 71.84 Favored 'General case' 0 N--CA 1.438 -1.04 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 64.3 mtm -62.81 -37.66 87.63 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 117.711 -1.138 . . . . 0.0 110.661 178.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.2 tptt -61.11 -41.78 97.32 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 120.412 1.46 . . . . 0.0 107.452 178.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -55.76 -51.26 56.31 Favored Glycine 0 CA--C 1.533 1.206 0 N-CA-C 110.412 -1.075 . . . . 0.0 110.412 176.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.403 ' CZ ' ' CE2' ' A' ' 49' ' ' TYR . 15.4 m-85 -68.17 -31.33 70.81 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.066 0.546 . . . . 0.0 111.694 179.241 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.06 -59.93 2.51 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 124.154 0.982 . . . . 0.0 110.511 -177.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -145.16 29.65 1.17 Allowed 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 -175.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -131.42 19.02 4.87 Favored Glycine 0 CA--C 1.527 0.796 0 CA-C-N 119.902 1.228 . . . . 0.0 113.057 -179.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.7 t 37.86 40.29 0.27 Allowed 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 127.933 2.493 . . . . 0.0 112.496 179.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.403 ' CE2' ' CZ ' ' A' ' 44' ' ' TYR . 1.8 t80 -79.95 132.6 36.08 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 106.651 -1.611 . . . . 0.0 106.651 177.429 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 153.19 -172.47 32.12 Favored Glycine 0 C--N 1.336 0.54 0 CA-C-O 122.817 1.231 . . . . 0.0 115.337 176.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -164.03 -179.27 38.18 Favored Glycine 0 N--CA 1.425 -2.074 1 C-N-CA 134.014 5.578 . . . . 0.0 105.427 179.387 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.38 -50.99 6.69 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.726 1.21 . . . . 0.0 112.086 -178.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 55.1 mtp85 -55.11 -38.64 68.41 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.49 1.116 . . . . 0.0 110.968 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.89 -4.71 59.23 Favored 'General case' 0 N--CA 1.435 -1.196 0 C-N-CA 125.217 1.407 . . . . 0.0 113.853 -178.321 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.02 -51.29 68.31 Favored 'General case' 0 CA--C 1.532 0.269 0 O-C-N 120.94 -1.1 . . . . 0.0 109.351 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 26.0 mmt -57.47 -49.86 74.92 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 178.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 32.1 mmm -50.51 -53.7 28.01 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.416 1.086 . . . . 0.0 111.749 179.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 28.2 m -52.07 -54.98 23.69 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -58.07 -37.55 74.67 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 179.226 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.11 -54.07 39.74 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 123.055 0.542 . . . . 0.0 111.644 -178.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.1 m -80.33 -23.07 11.43 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 C-N-CA 119.613 -0.835 . . . . 0.0 111.734 -174.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -49.84 -33.05 15.69 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -177.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -76.69 -7.89 56.2 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 -178.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -92.99 178.79 5.64 Favored 'General case' 0 N--CA 1.441 -0.899 0 N-CA-C 107.721 -1.215 . . . . 0.0 107.721 179.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.8 m -127.07 157.1 40.54 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 126.984 2.113 . . . . 0.0 109.446 -177.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -39.47 -50.86 2.16 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.176 1.39 . . . . 0.0 114.202 -179.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -63.74 -39.39 94.18 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 121.22 0.533 . . . . 0.0 110.21 -178.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -67.07 -44.9 78.93 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 179.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.5 mt -57.27 -46.23 83.27 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 122.993 0.517 . . . . 0.0 109.91 177.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -59.69 -49.51 77.45 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 178.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.54 -45.81 88.12 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 -179.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.4 mt -54.91 -59.86 4.16 Favored 'General case' 0 N--CA 1.441 -0.906 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 178.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.03 -46.13 78.95 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 117.985 0.357 . . . . 0.0 110.874 -177.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -52.45 -47.06 66.65 Favored 'General case' 0 N--CA 1.457 -0.077 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 179.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -65.71 -65.21 0.7 Allowed 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 119.103 -0.475 . . . . 0.0 109.883 177.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.1 mtp -46.05 -32.11 2.66 Favored 'General case' 0 C--N 1.34 0.18 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 -179.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.6 t -63.38 -35.18 79.54 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 121.699 -0.625 . . . . 0.0 110.266 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 38.2 mmtm -83.05 -48.38 10.67 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 176.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.099 0 C-N-CA 128.781 2.832 . . . . 0.0 110.018 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.772 0 CA-C-O 117.977 -1.011 . . . . 0.0 108.364 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -58.37 124.7 20.43 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 118.99 0.814 . . . . 0.0 111.878 -179.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.52 -44.4 90.56 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 109.938 -1.265 . . . . 0.0 109.938 177.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.3 -7.68 20.26 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 112.902 0.704 . . . . 0.0 112.902 179.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -99.07 -52.02 3.67 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 106.753 -1.573 . . . . 0.0 106.753 175.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 32.7 mt -56.14 -41.25 75.09 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-O 119.0 -0.524 . . . . 0.0 110.952 -179.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -67.96 -16.11 63.91 Favored 'General case' 0 C--N 1.345 0.41 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 -177.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.1 mmpt? -61.29 -25.19 66.94 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 120.761 -1.212 . . . . 0.0 110.458 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.95 -5.89 38.09 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.318 1.047 . . . . 0.0 112.304 177.721 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.9 m -112.38 -36.05 5.39 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 128.034 2.533 . . . . 0.0 110.708 -175.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -44.5 -30.25 0.64 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 C-N-CA 126.363 1.865 . . . . 0.0 110.638 177.166 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -50.6 -41.88 43.13 Favored Glycine 0 CA--C 1.536 1.375 0 CA-C-N 118.764 0.711 . . . . 0.0 111.546 176.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.2 m -97.47 -50.22 4.6 Favored 'General case' 0 C--N 1.341 0.235 0 CA-C-N 117.689 0.745 . . . . 0.0 109.927 178.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 69.4 m-70 -67.11 -19.25 65.59 Favored 'General case' 0 N--CA 1.433 -1.308 0 C-N-CA 126.701 2.0 . . . . 0.0 115.23 -175.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 83.95 155.69 21.81 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.346 -1.102 . . . . 0.0 110.346 -178.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -29.31 -58.69 0.15 Allowed 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 127.37 2.268 . . . . 0.0 113.769 -178.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -111.91 41.12 2.0 Favored 'General case' 0 N--CA 1.439 -0.988 0 C-N-CA 126.343 1.857 . . . . 0.0 111.571 -179.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 49.63 31.39 15.1 Favored Glycine 0 CA--C 1.531 1.052 0 CA-C-N 118.901 0.773 . . . . 0.0 114.384 178.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.6 p -87.73 -31.74 19.51 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 126.213 1.805 . . . . 0.0 112.772 -177.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -73.43 137.95 44.9 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 121.484 0.659 . . . . 0.0 109.285 -179.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.43 75.82 3.18 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 106.369 -1.715 . . . . 0.0 106.369 178.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -21.46 69.52 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 130.921 3.688 . . . . 0.0 119.897 -173.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 24.0 mmt 63.93 -67.27 0.1 Allowed 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 126.505 1.922 . . . . 0.0 109.898 178.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.61 36.21 1.83 Allowed Glycine 0 CA--C 1.526 0.763 0 O-C-N 121.493 -0.754 . . . . 0.0 111.855 178.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 27.3 m 52.23 49.89 19.58 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 125.997 1.719 . . . . 0.0 111.871 178.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.71 136.82 57.8 Favored 'General case' 0 C--N 1.346 0.448 0 C-N-CA 117.399 -1.72 . . . . 0.0 114.102 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -59.67 120.02 45.6 Favored Pre-proline 0 CA--C 1.54 0.59 0 N-CA-C 103.564 -2.754 . . . . 0.0 103.564 174.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -26.02 105.73 0.02 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.593 1 C-N-CA 125.501 4.134 . . . . 0.0 114.173 -175.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.2 t -61.24 -30.3 47.6 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -58.72 88.45 0.01 OUTLIER 'General case' 0 C--N 1.343 0.288 0 C-N-CA 124.897 1.279 . . . . 0.0 110.75 177.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 119.95 -2.53 13.21 Favored Glycine 0 CA--C 1.521 0.427 0 CA-C-N 114.59 -1.186 . . . . 0.0 113.317 177.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -62.36 146.71 50.51 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 106.12 -1.808 . . . . 0.0 106.12 176.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -77.57 143.27 27.91 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 120.844 -1.16 . . . . 0.0 113.947 -175.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.98 -48.28 16.56 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 119.621 1.71 . . . . 0.0 111.824 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -59.97 -44.06 94.68 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -59.89 -63.08 1.43 Allowed 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 42.1 mt -46.29 -48.38 18.12 Favored 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 126.814 2.046 . . . . 0.0 110.187 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -68.93 -49.76 55.24 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 118.882 -0.58 . . . . 0.0 112.049 -179.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 66.1 tttp -57.65 -40.19 78.74 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 118.806 0.73 . . . . 0.0 109.38 -179.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -67.18 -51.9 47.98 Favored 'General case' 0 N--CA 1.437 -1.119 0 C-N-CA 124.125 0.97 . . . . 0.0 110.257 -178.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 66.7 mtm -63.31 -35.99 82.19 Favored 'General case' 0 C--O 1.219 -0.53 0 CA-C-O 118.57 -0.729 . . . . 0.0 110.068 178.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -60.99 -46.98 88.58 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 177.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.57 -53.86 30.34 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.221 -1.152 . . . . 0.0 110.221 176.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -63.94 -41.86 97.48 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.23 1.015 . . . . 0.0 111.348 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.83 -50.11 61.52 Favored 'General case' 0 CA--C 1.527 0.092 0 C-N-CA 125.658 1.583 . . . . 0.0 108.434 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -86.5 7.84 24.37 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.515 1.126 . . . . 0.0 112.278 -179.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 52.51 34.5 42.67 Favored Glycine 0 CA--C 1.534 1.256 0 CA-C-N 119.204 0.911 . . . . 0.0 112.709 -179.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.8 t -118.21 34.77 5.02 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 125.656 1.582 . . . . 0.0 111.24 -178.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -164.05 161.87 22.8 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 106.594 -1.632 . . . . 0.0 106.594 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -147.7 -178.43 22.92 Favored Glycine 0 C--N 1.336 0.556 0 CA-C-O 121.563 0.535 . . . . 0.0 113.291 -178.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 172.44 176.87 41.47 Favored Glycine 0 N--CA 1.424 -2.101 0 C-N-CA 129.921 3.629 . . . . 0.0 107.941 -178.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -45.48 -40.33 8.26 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 126.396 1.878 . . . . 0.0 112.833 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 76.4 mmt-85 -122.59 40.43 3.68 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 118.682 0.673 . . . . 0.0 110.422 179.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.0 pttm -48.75 -44.06 38.26 Favored 'General case' 0 C--O 1.225 -0.215 0 C-N-CA 124.212 1.005 . . . . 0.0 113.123 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.78 -50.99 70.12 Favored 'General case' 0 N--CA 1.457 -0.118 0 O-C-N 122.365 -0.209 . . . . 0.0 110.681 -178.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 38.7 mmt -59.76 -43.11 94.46 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 179.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 36.2 mmm -57.92 -60.77 3.21 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.232 179.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 19.9 m -52.73 -42.16 64.63 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 118.82 0.736 . . . . 0.0 109.679 177.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.84 -38.99 90.26 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 119.624 1.102 . . . . 0.0 110.506 178.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.78 -36.14 65.02 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.93 0.892 . . . . 0.0 112.318 -178.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 53.8 t -87.28 -50.94 13.43 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 C-N-CA 126.671 1.989 . . . . 0.0 114.631 -175.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -54.91 -26.68 37.67 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 124.033 0.933 . . . . 0.0 112.975 -176.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -70.17 -18.64 63.21 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 118.836 0.743 . . . . 0.0 111.234 178.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -89.3 -178.49 5.64 Favored 'General case' 0 N--CA 1.437 -1.078 0 CA-C-O 122.556 1.17 . . . . 0.0 108.878 178.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.2 m -122.94 158.58 30.1 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 127.385 2.274 . . . . 0.0 109.46 -178.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -42.54 -47.28 5.12 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.873 1.269 . . . . 0.0 112.374 179.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -58.87 -49.56 77.32 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.172 0.989 . . . . 0.0 110.003 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -62.06 -44.06 97.5 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 81.3 mt -60.67 -43.43 97.69 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 122.826 0.45 . . . . 0.0 110.307 178.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.53 -45.65 89.61 Favored 'General case' 0 N--CA 1.433 -1.32 0 C-N-CA 123.781 0.832 . . . . 0.0 109.227 178.562 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.66 -45.09 95.53 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 -179.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.3 mt -57.32 -60.47 3.58 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-O 118.891 -0.576 . . . . 0.0 109.708 178.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.94 -42.43 72.3 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.31 -177.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -54.45 -52.47 61.75 Favored 'General case' 0 C--N 1.34 0.164 0 N-CA-C 108.469 -0.938 . . . . 0.0 108.469 178.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -58.95 -62.03 2.19 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 178.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.5 mtp -48.73 -34.67 12.52 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 113.839 1.051 . . . . 0.0 113.839 -179.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.9 t -57.8 -30.86 66.04 Favored 'General case' 0 CA--C 1.534 0.362 0 O-C-N 121.48 -0.762 . . . . 0.0 110.02 179.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -117.71 42.94 2.5 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.468 1.907 . . . . 0.0 107.589 176.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.211 0 C-N-CA 127.739 2.415 . . . . 0.0 112.302 -178.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.041 0 N-CA-C 106.122 -1.807 . . . . 0.0 106.122 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 56.2 t0 73.62 102.86 0.07 Allowed 'General case' 0 CA--C 1.514 -0.433 1 N-CA-C 98.406 -4.664 . . . . 0.0 98.406 -169.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 85.41 95.52 0.75 Allowed Glycine 0 N--CA 1.421 -2.337 1 N-CA-C 95.558 -7.017 . . . . 0.0 95.558 -162.32 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 99.95 -30.8 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 128.504 2.722 . . . . 0.0 109.173 -174.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -86.15 -36.55 19.47 Favored 'General case' 0 C--N 1.351 0.632 0 CA-C-N 120.525 1.512 . . . . 0.0 108.916 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.9 mt -74.86 -37.9 62.09 Favored 'General case' 0 N--CA 1.442 -0.847 0 C-N-CA 118.606 -1.238 . . . . 0.0 108.983 -178.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -62.09 -18.29 60.29 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 -177.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? -51.74 -38.67 56.3 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 119.399 0.999 . . . . 0.0 111.289 178.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.1 p -66.72 -29.24 69.17 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.7 m -83.9 -35.09 24.35 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 126.841 2.057 . . . . 0.0 109.937 -175.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -48.55 -31.87 3.8 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 C-N-CA 125.038 1.335 . . . . 0.0 110.253 178.638 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -52.48 -40.87 55.09 Favored Glycine 0 CA--C 1.534 1.281 0 CA-C-O 119.616 -0.547 . . . . 0.0 112.233 178.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 12.8 m -98.36 -47.3 5.47 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 117.898 0.849 . . . . 0.0 110.687 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -74.13 -22.07 59.61 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 114.727 1.38 . . . . 0.0 114.727 -175.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.98 151.61 10.57 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.99 64.32 5.7 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 106.346 -1.724 . . . . 0.0 106.346 176.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.1 p30 179.6 -16.81 0.0 OUTLIER 'General case' 0 N--CA 1.437 -1.105 0 C-N-CA 130.098 3.359 . . . . 0.0 111.958 -174.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 56.56 19.4 26.98 Favored Glycine 0 C--N 1.342 0.908 0 CA-C-N 119.367 0.985 . . . . 0.0 113.694 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.3 m -104.73 -19.48 13.92 Favored 'General case' 0 N--CA 1.445 -0.695 0 C-N-CA 125.671 1.588 . . . . 0.0 109.971 -178.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -67.49 112.17 4.52 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 105.864 -1.902 . . . . 0.0 105.864 177.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.62 86.09 0.2 Allowed 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 -179.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -43.53 130.25 5.19 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 125.27 1.428 . . . . 0.0 113.572 -176.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 24.8 mmt 24.28 -79.7 0.0 OUTLIER 'General case' 0 C--N 1.342 0.275 0 C-N-CA 130.867 3.667 . . . . 0.0 114.871 179.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -52.91 -40.42 57.62 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 111.56 -0.616 . . . . 0.0 111.56 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 71.0 m 126.78 62.85 0.0 OUTLIER 'General case' 0 C--O 1.232 0.163 0 C-N-CA 131.7 4.0 . . . . 0.0 107.633 179.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.19 128.41 33.79 Favored 'General case' 0 C--N 1.345 0.388 0 C-N-CA 119.323 -0.951 . . . . 0.0 112.551 179.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.4 mmtm -64.64 120.61 67.32 Favored Pre-proline 0 N--CA 1.45 -0.435 0 N-CA-C 103.799 -2.667 . . . . 0.0 103.799 176.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 0.5 OUTLIER -19.5 97.92 0.01 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.698 1 C-N-CA 126.22 4.613 . . . . 0.0 115.1 -175.895 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.6 t -56.93 -30.22 33.0 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 N-CA-C 107.57 -1.271 . . . . 0.0 107.57 178.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -42.88 90.86 0.0 OUTLIER 'General case' 0 C--N 1.344 0.351 0 C-N-CA 126.688 1.995 . . . . 0.0 113.792 177.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 68.58 42.3 81.25 Favored Glycine 0 N--CA 1.443 -0.846 0 CA-C-N 113.327 -1.76 . . . . 0.0 110.258 177.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -52.71 -41.46 63.96 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 178.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -173.67 -108.36 0.21 Allowed Glycine 0 CA--C 1.534 1.234 0 C-N-CA 127.317 2.389 . . . . 0.0 108.181 173.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 173.9 -57.87 0.01 OUTLIER 'General case' 0 CA--C 1.515 -0.369 0 C-N-CA 131.391 3.876 . . . . 0.0 101.806 176.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.1 tp10 -64.4 -42.13 96.27 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 105.797 -1.927 . . . . 0.0 105.797 173.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -57.58 -65.75 0.58 Allowed 'General case' 0 C--N 1.344 0.331 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 177.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 29.1 mt -44.51 -47.51 10.12 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.692 1.597 . . . . 0.0 110.946 179.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -62.79 -53.7 50.34 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 124.171 0.988 . . . . 0.0 111.395 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -58.24 -40.33 81.48 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 -179.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 65.3 mmtt -63.12 -52.8 61.13 Favored 'General case' 0 N--CA 1.441 -0.905 0 C-N-CA 123.767 0.827 . . . . 0.0 109.37 -179.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 66.2 mtm -64.72 -36.64 84.95 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-O 118.263 -0.875 . . . . 0.0 111.029 178.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -60.29 -43.67 96.07 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 106.638 -1.615 . . . . 0.0 106.638 177.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -55.21 -53.4 40.86 Favored Glycine 0 CA--C 1.528 0.902 0 N-CA-C 110.191 -1.164 . . . . 0.0 110.191 176.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -61.17 -46.83 88.9 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 118.515 1.157 . . . . 0.0 110.031 179.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.24 -43.49 61.5 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 125.678 1.591 . . . . 0.0 109.712 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -93.47 7.89 42.79 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.893 0.877 . . . . 0.0 112.101 -178.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 53.82 32.08 47.46 Favored Glycine 0 CA--C 1.532 1.151 0 C-N-CA 124.304 0.954 . . . . 0.0 112.474 -178.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.2 t -118.3 33.86 5.45 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.613 1.565 . . . . 0.0 111.458 -178.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -164.81 164.97 20.95 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 106.618 -1.623 . . . . 0.0 106.618 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -151.13 -175.56 23.12 Favored Glycine 0 CA--C 1.523 0.593 0 CA-C-O 122.426 1.014 . . . . 0.0 113.685 -179.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -178.43 173.76 46.11 Favored Glycine 0 N--CA 1.426 -1.982 1 C-N-CA 133.483 5.325 . . . . 0.0 105.093 -178.4 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -67.72 -26.69 66.28 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 119.147 -1.021 . . . . 0.0 111.294 -177.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.9 mmp_? -105.57 26.49 9.45 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.226 1.011 . . . . 0.0 109.67 176.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.78 -36.35 36.48 Favored 'General case' 0 C--N 1.343 0.326 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -178.179 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.42 -54.08 48.22 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 118.267 0.485 . . . . 0.0 109.986 -179.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 26.6 mmt -59.17 -48.41 81.7 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 108.534 -0.914 . . . . 0.0 108.534 179.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 22.4 mmm -55.74 -51.23 68.07 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 120.971 0.415 . . . . 0.0 111.103 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 89.5 m -56.9 -49.7 74.76 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 178.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -56.95 -35.68 69.38 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 118.444 0.565 . . . . 0.0 110.301 178.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.55 -38.75 77.58 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 118.152 -0.928 . . . . 0.0 112.878 -178.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.9 m -98.13 -35.0 4.88 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-N 119.5 1.046 . . . . 0.0 113.535 -176.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 41.1 tttp -68.06 70.93 0.16 Allowed 'General case' 0 C--N 1.341 0.239 0 C-N-CA 126.342 1.857 . . . . 0.0 110.887 -176.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -169.56 -34.71 0.02 OUTLIER 'General case' 0 N--CA 1.44 -0.938 0 C-N-CA 129.399 3.08 . . . . 0.0 107.841 -179.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -78.86 171.38 15.26 Favored 'General case' 0 N--CA 1.433 -1.304 0 CA-C-O 122.93 1.348 . . . . 0.0 108.648 178.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 99.0 p -108.77 166.48 10.77 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 128.045 2.538 . . . . 0.0 109.706 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -48.81 -48.23 41.6 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.395 0.678 . . . . 0.0 111.932 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -58.34 -52.43 65.64 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.071 0.548 . . . . 0.0 109.809 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -59.11 -42.2 89.95 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 123.242 0.617 . . . . 0.0 110.613 179.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 40.7 mt -60.28 -46.88 88.28 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 177.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.6 tmtt? -59.76 -43.45 94.32 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 178.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.88 -48.2 82.24 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.72 0.808 . . . . 0.0 109.467 179.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.1 mt -57.93 -52.27 66.17 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-O 119.32 -0.372 . . . . 0.0 110.862 178.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.23 -48.12 82.79 Favored 'General case' 0 N--CA 1.454 -0.273 0 O-C-N 123.121 0.263 . . . . 0.0 110.422 -177.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -53.67 -44.77 69.95 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 177.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -64.95 -53.87 39.59 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 120.105 -0.638 . . . . 0.0 109.645 178.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 53.4 mtm -48.34 -38.89 20.33 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 119.405 1.002 . . . . 0.0 111.481 176.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.9 t -54.75 -30.11 55.54 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.231 -0.918 . . . . 0.0 110.676 177.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -99.75 32.36 2.89 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 126.38 1.872 . . . . 0.0 111.997 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 25.1 mt . . . . . 0 C--O 1.249 1.067 0 CA-C-O 117.717 -1.135 . . . . 0.0 108.513 174.284 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.645 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -60.07 119.29 7.53 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 119.268 0.94 . . . . 0.0 112.074 -178.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.3 -54.64 35.53 Favored Glycine 0 CA--C 1.527 0.838 0 N-CA-C 111.802 -0.519 . . . . 0.0 111.802 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.66 -46.98 74.1 Favored 'General case' 0 N--CA 1.457 -0.108 0 CA-C-N 117.633 0.716 . . . . 0.0 111.176 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.95 -52.36 64.35 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 70.8 mt -53.09 -48.45 67.76 Favored 'General case' 0 N--CA 1.441 -0.913 0 CA-C-N 118.284 0.493 . . . . 0.0 110.584 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -60.63 -17.42 47.08 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 -177.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -56.83 -35.0 68.31 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 119.904 1.229 . . . . 0.0 109.567 177.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.45 -7.0 21.93 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.526 1.131 . . . . 0.0 112.799 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.5 m -115.23 -36.62 4.3 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 127.563 2.345 . . . . 0.0 110.739 -175.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.2 tp -46.5 -31.39 1.46 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 C-N-CA 125.786 1.634 . . . . 0.0 111.405 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -53.0 -42.45 60.79 Favored Glycine 0 CA--C 1.535 1.285 0 N-CA-C 111.58 -0.608 . . . . 0.0 111.58 177.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.0 m -92.56 -46.0 7.83 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 117.491 0.646 . . . . 0.0 110.05 178.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -69.65 -21.59 63.53 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 115.64 1.719 . . . . 0.0 115.64 -175.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.57 149.2 11.76 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 109.501 -1.439 . . . . 0.0 109.501 -178.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.84 67.24 2.86 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 121.876 0.846 . . . . 0.0 110.046 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.6 p30 169.39 -10.34 0.0 OUTLIER 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 131.178 3.791 . . . . 0.0 112.802 -178.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 55.22 22.82 30.93 Favored Glycine 0 CA--C 1.53 0.987 0 CA-C-N 119.75 1.159 . . . . 0.0 111.859 -177.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.0 m -110.36 -24.48 10.61 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 125.783 1.633 . . . . 0.0 110.346 -178.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -78.32 70.76 4.72 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 179.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -11.55 93.23 0.01 OUTLIER 'General case' 0 C--N 1.342 0.275 0 C-N-CA 129.281 3.032 . . . . 0.0 111.925 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -43.51 132.52 4.7 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 114.311 1.226 . . . . 0.0 114.311 -175.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 26.3 mmt 16.99 -77.04 0.0 OUTLIER 'General case' 0 C--N 1.343 0.305 0 C-N-CA 130.272 3.429 . . . . 0.0 113.527 179.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.1 40.94 1.25 Allowed Glycine 0 CA--C 1.533 1.184 0 CA-C-N 118.722 0.692 . . . . 0.0 112.334 178.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.6 m 49.96 54.5 10.96 Favored 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 126.731 2.012 . . . . 0.0 111.541 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.29 140.8 43.77 Favored 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -59.35 119.37 38.7 Favored Pre-proline 0 N--CA 1.452 -0.374 0 N-CA-C 103.567 -2.753 . . . . 0.0 103.567 175.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_exo -29.47 102.05 0.02 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 124.8 3.666 . . . . 0.0 113.456 -177.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.8 t -57.03 -29.47 31.56 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 51.5 tptt -40.68 91.79 0.0 OUTLIER 'General case' 0 C--N 1.341 0.207 0 C-N-CA 128.368 2.667 . . . . 0.0 113.122 175.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 64.05 44.08 96.37 Favored Glycine 0 N--CA 1.444 -0.81 0 CA-C-N 112.137 -2.301 . . . . 0.0 109.892 178.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -53.9 -42.36 68.61 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 179.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.32 -109.01 0.24 Allowed Glycine 0 CA--C 1.531 1.088 0 C-N-CA 127.734 2.588 . . . . 0.0 107.563 173.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 178.71 -60.26 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 130.555 3.542 . . . . 0.0 101.949 176.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.4 tp10 -63.82 -39.54 94.47 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 105.552 -2.018 . . . . 0.0 105.552 173.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -57.18 -64.36 0.91 Allowed 'General case' 0 C--N 1.343 0.318 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 177.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 17.1 mt -47.53 -44.56 25.87 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.245 1.418 . . . . 0.0 111.128 179.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -65.84 -50.33 64.96 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 123.127 0.571 . . . . 0.0 111.101 179.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -58.5 -41.1 84.6 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.542 0.737 . . . . 0.0 109.128 179.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -62.22 -53.82 49.77 Favored 'General case' 0 N--CA 1.439 -0.997 0 C-N-CA 123.994 0.918 . . . . 0.0 109.072 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 56.7 mtm -60.1 -50.12 74.97 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-O 117.898 -1.049 . . . . 0.0 110.021 178.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -51.72 -42.17 62.07 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 119.772 1.169 . . . . 0.0 108.625 178.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -53.11 -48.68 58.22 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 110.172 -1.171 . . . . 0.0 110.172 176.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -70.32 -54.48 12.41 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 120.747 -1.443 . . . . 0.0 109.231 178.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -38.38 -56.73 1.21 Allowed 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 129.289 3.036 . . . . 0.0 111.42 -178.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -146.57 29.67 1.02 Allowed 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 113.45 0.908 . . . . 0.0 113.45 -175.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -145.84 21.4 1.8 Allowed Glycine 0 CA--C 1.529 0.909 0 CA-C-N 120.435 1.471 . . . . 0.0 113.924 -179.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 24.2 t 39.82 43.42 1.19 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 127.566 2.346 . . . . 0.0 112.89 179.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -67.21 161.79 24.02 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 175.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -125.24 -176.52 14.57 Favored Glycine 0 C--N 1.338 0.65 0 N-CA-C 116.382 1.313 . . . . 0.0 116.382 -177.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 163.69 176.68 35.86 Favored Glycine 0 N--CA 1.425 -2.096 1 C-N-CA 131.034 4.159 . . . . 0.0 106.384 -177.636 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -55.65 -44.24 77.02 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 124.061 0.945 . . . . 0.0 109.49 179.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 34.7 mtp85 -111.7 35.15 3.78 Favored 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 124.068 0.947 . . . . 0.0 111.44 -178.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.3 pttt -45.98 -42.42 13.05 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 125.067 1.347 . . . . 0.0 112.937 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.46 -50.94 65.51 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.447 0.699 . . . . 0.0 110.716 -178.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -59.43 -44.15 92.96 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 179.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 27.2 mmm -57.91 -58.98 6.02 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.839 178.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 64.1 m -51.43 -41.36 60.75 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 123.703 0.801 . . . . 0.0 110.135 177.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -62.63 -48.8 77.79 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 119.801 1.182 . . . . 0.0 110.186 178.056 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.09 -34.73 75.4 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 123.979 0.912 . . . . 0.0 112.471 -179.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 61.1 t -88.69 -50.83 13.08 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 C-N-CA 125.805 1.642 . . . . 0.0 114.625 -175.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 34.3 ttmt -54.85 -27.51 42.92 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.456 1.103 . . . . 0.0 112.599 -177.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.0 ptpp? -66.94 -19.74 65.78 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 118.545 0.611 . . . . 0.0 111.091 177.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -96.71 -176.99 3.76 Favored 'General case' 0 N--CA 1.438 -1.04 0 C-N-CA 125.048 1.339 . . . . 0.0 108.884 178.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.3 t -132.54 167.98 19.04 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 125.839 1.656 . . . . 0.0 109.812 178.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.8 p-10 -35.96 -51.22 0.71 Allowed 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 127.202 2.201 . . . . 0.0 113.264 -179.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -60.59 -54.25 47.72 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.127 0.571 . . . . 0.0 109.796 -178.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.3 mp0 -55.99 -46.94 78.52 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.325 0.65 . . . . 0.0 109.626 178.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.4 mt -60.55 -47.47 86.05 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 117.861 0.3 . . . . 0.0 110.761 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -63.27 -40.21 96.75 Favored 'General case' 0 N--CA 1.452 -0.334 0 O-C-N 121.937 -0.477 . . . . 0.0 110.125 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.07 -44.51 84.27 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.9 mt -56.94 -59.56 4.87 Favored 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 178.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -50.77 -50.23 56.41 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 123.596 0.56 . . . . 0.0 110.588 -178.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -53.11 -45.18 68.15 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 176.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 47.1 t80 -65.17 -53.48 44.28 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 118.074 -0.965 . . . . 0.0 109.641 177.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.8 mpp? -48.66 -36.08 15.22 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 120.454 1.479 . . . . 0.0 111.722 177.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.7 t -54.93 -31.05 59.97 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 121.233 -0.917 . . . . 0.0 110.546 177.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 38.0 mmtm -96.71 29.44 2.99 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.061 1.744 . . . . 0.0 111.864 179.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 27.8 mt . . . . . 0 C--O 1.25 1.104 0 CA-C-O 117.128 -1.415 . . . . 0.0 108.589 174.635 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.698 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -83.06 92.58 7.42 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -47.19 -49.79 18.12 Favored Glycine 0 CA--C 1.528 0.894 0 C-N-CA 123.285 0.469 . . . . 0.0 112.102 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.22 -28.94 44.37 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.437 0.695 . . . . 0.0 112.614 179.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.04 -22.73 42.02 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-O 119.199 -0.429 . . . . 0.0 110.383 -178.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.2 mt -90.5 -29.32 17.98 Favored 'General case' 0 N--CA 1.438 -1.067 0 N-CA-C 106.042 -1.836 . . . . 0.0 106.042 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.444 ' CE1' ' SD ' ' A' ' 76' ' ' MET . 0.8 OUTLIER -69.87 -12.99 62.04 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 178.486 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -51.99 -43.89 63.82 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 121.139 -0.976 . . . . 0.0 111.21 179.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.02 -5.85 7.28 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.08 1.352 . . . . 0.0 113.428 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.2 m -113.27 -37.76 4.62 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 127.546 2.338 . . . . 0.0 110.862 -174.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -46.49 -27.84 0.85 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 C-N-CA 125.826 1.65 . . . . 0.0 110.631 178.042 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -56.21 -48.49 74.22 Favored Glycine 0 CA--C 1.538 1.515 0 O-C-N 121.263 -0.898 . . . . 0.0 111.545 176.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.8 m -88.54 -39.92 13.79 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 117.854 0.827 . . . . 0.0 110.761 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -80.41 -19.26 46.6 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 -176.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 86.54 157.46 30.19 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.353 -1.099 . . . . 0.0 110.353 -178.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -30.94 -58.73 0.22 Allowed 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 127.06 2.144 . . . . 0.0 113.9 -178.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -112.41 35.7 3.7 Favored 'General case' 0 N--CA 1.442 -0.855 0 C-N-CA 125.813 1.645 . . . . 0.0 111.836 -179.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 56.56 24.94 49.04 Favored Glycine 0 CA--C 1.532 1.094 0 N-CA-C 116.763 1.465 . . . . 0.0 116.763 177.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 59.3 m -80.18 -27.77 38.86 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 118.206 1.003 . . . . 0.0 113.57 -178.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt -71.09 134.92 47.42 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 119.259 0.936 . . . . 0.0 110.694 -178.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.71 75.91 2.69 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 105.83 -1.915 . . . . 0.0 105.83 176.157 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -29.27 120.86 0.14 Allowed 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 126.741 2.016 . . . . 0.0 114.913 -175.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 90.9 mmm 16.83 -67.8 0.0 OUTLIER 'General case' 0 C--N 1.345 0.393 1 C-N-CA 132.587 4.355 . . . . 0.0 115.615 179.182 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -52.54 -28.82 30.26 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 123.387 0.517 . . . . 0.0 111.942 178.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 33.5 m 111.03 56.92 0.0 OUTLIER 'General case' 0 CA--C 1.523 -0.07 0 C-N-CA 131.62 3.968 . . . . 0.0 106.227 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.03 148.05 50.64 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 114.028 1.121 . . . . 0.0 114.028 -177.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.11 120.2 72.74 Favored Pre-proline 0 N--CA 1.451 -0.411 0 N-CA-C 101.583 -3.488 . . . . 0.0 101.583 173.087 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_exo -30.81 108.17 0.04 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 124.369 3.379 . . . . 0.0 112.672 -177.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 41.3 t -55.81 -32.96 33.31 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 -179.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -56.73 97.4 0.02 OUTLIER 'General case' 0 C--N 1.343 0.312 0 CA-C-O 122.423 1.106 . . . . 0.0 111.396 177.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 114.57 -3.86 23.2 Favored Glycine 0 C--N 1.32 -0.345 0 CA-C-N 114.295 -1.321 . . . . 0.0 113.03 177.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -63.42 147.09 52.19 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 106.556 -1.646 . . . . 0.0 106.556 177.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -77.31 141.28 25.67 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 120.755 -1.215 . . . . 0.0 114.186 -174.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.78 -48.68 10.91 Favored 'General case' 0 C--N 1.341 0.231 0 CA-C-N 119.605 1.703 . . . . 0.0 112.169 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.3 tp10 -60.9 -43.41 98.58 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -60.59 -60.23 4.14 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 124.568 1.147 . . . . 0.0 108.348 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 40.0 mt -47.97 -50.7 26.43 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 127.025 2.13 . . . . 0.0 109.592 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -64.99 -52.21 57.46 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 123.498 0.719 . . . . 0.0 112.288 -179.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -58.14 -40.79 82.25 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-O 121.565 0.698 . . . . 0.0 109.421 -178.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -68.77 -47.03 67.23 Favored 'General case' 0 N--CA 1.438 -1.036 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.434 -178.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 55.7 mtm -64.69 -35.1 79.94 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.001 178.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -60.95 -44.72 96.88 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 106.422 -1.696 . . . . 0.0 106.422 176.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -55.72 -53.27 42.84 Favored Glycine 0 CA--C 1.529 0.937 0 CA-C-O 119.087 -0.84 . . . . 0.0 111.278 177.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.401 ' CZ ' ' CE2' ' A' ' 49' ' ' TYR . 25.0 m-85 -62.13 -47.83 82.83 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 118.722 1.261 . . . . 0.0 109.548 179.661 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.32 -45.6 54.89 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 125.653 1.581 . . . . 0.0 109.858 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -90.5 6.56 42.98 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.634 0.774 . . . . 0.0 112.258 -178.254 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 54.63 32.96 54.35 Favored Glycine 0 CA--C 1.532 1.114 0 CA-C-N 118.976 0.807 . . . . 0.0 112.249 -178.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.6 t -111.73 17.96 19.39 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.234 1.414 . . . . 0.0 111.716 -178.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.401 ' CE2' ' CZ ' ' A' ' 44' ' ' TYR . 8.7 t80 -162.51 140.35 8.42 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 105.58 -2.008 . . . . 0.0 105.58 179.687 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 139.91 -174.06 22.59 Favored Glycine 0 C--N 1.334 0.429 0 CA-C-O 122.479 1.044 . . . . 0.0 113.128 178.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -173.82 -175.55 41.58 Favored Glycine 0 N--CA 1.425 -2.073 1 C-N-CA 132.409 4.814 . . . . 0.0 105.956 -178.739 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -45.34 -53.55 8.38 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 124.381 1.072 . . . . 0.0 111.541 -178.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 21.0 mtp-105 -56.36 -33.29 65.55 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.221 1.008 . . . . 0.0 110.901 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.8 mtmt -99.68 10.83 40.65 Favored 'General case' 0 N--CA 1.432 -1.336 0 C-N-CA 126.324 1.85 . . . . 0.0 112.266 -178.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.97 -48.42 45.21 Favored 'General case' 0 C--O 1.232 0.165 0 N-CA-C 106.592 -1.632 . . . . 0.0 106.592 176.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.5 mpp? -55.42 -46.84 76.65 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 177.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 38.5 mmm -52.91 -57.36 10.54 Favored 'General case' 0 CA--C 1.517 -0.325 0 C-N-CA 124.23 1.012 . . . . 0.0 110.556 178.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 97.6 m -48.89 -53.78 18.1 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 179.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -56.74 -36.33 69.63 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 122.714 0.406 . . . . 0.0 111.192 178.048 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.35 -43.76 63.59 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 123.853 0.861 . . . . 0.0 112.863 -177.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.2 m -91.12 -26.79 5.04 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 CA-C-N 119.051 0.841 . . . . 0.0 111.814 -175.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -54.16 -27.33 32.99 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 119.256 0.934 . . . . 0.0 112.386 -177.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -77.61 -1.67 32.03 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 118.927 -0.559 . . . . 0.0 112.22 178.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 18.0 m-30 -110.07 149.13 30.46 Favored 'General case' 0 N--CA 1.442 -0.856 0 C-N-CA 126.289 1.836 . . . . 0.0 107.061 178.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 92.0 p -97.96 167.18 11.06 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 126.858 2.063 . . . . 0.0 110.286 -179.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -45.08 -48.1 11.92 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.196 0.998 . . . . 0.0 113.125 -179.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -60.27 -49.36 77.93 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 121.149 0.5 . . . . 0.0 110.085 -179.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -60.31 -50.97 71.51 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 46.6 mt -54.47 -49.33 70.33 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 124.398 1.079 . . . . 0.0 110.587 179.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -57.84 -45.88 85.58 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.07 -44.55 95.47 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 179.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.0 tp -56.8 -51.24 69.7 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 123.76 0.824 . . . . 0.0 109.504 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.11 -45.31 89.21 Favored 'General case' 0 C--O 1.226 -0.159 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -50.97 -46.25 61.13 Favored 'General case' 0 C--N 1.34 0.182 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 178.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -63.2 -62.63 1.56 Allowed 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 177.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.444 ' SD ' ' CE1' ' A' ' 7' ' ' TYR . 70.6 mtm -48.47 -30.17 4.87 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.1 t -59.71 -34.44 72.92 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 121.792 -0.567 . . . . 0.0 110.439 -179.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.4 pttm -97.13 -35.52 10.77 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 176.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.134 0 C-N-CA 128.54 2.736 . . . . 0.0 110.929 178.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.703 0 N-CA-C 106.693 -1.595 . . . . 0.0 106.693 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -58.8 146.21 37.9 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 106.562 -1.644 . . . . 0.0 106.562 176.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 75.61 78.12 0.68 Allowed Glycine 0 N--CA 1.441 -0.998 1 N-CA-C 101.116 -4.793 . . . . 0.0 101.116 -171.253 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 122.5 -38.58 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 130.615 3.566 . . . . 0.0 107.565 -174.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -84.79 -22.45 29.56 Favored 'General case' 0 C--N 1.346 0.45 0 C-N-CA 119.204 -0.998 . . . . 0.0 109.882 -177.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 32.7 mt -83.29 -31.71 26.76 Favored 'General case' 0 N--CA 1.44 -0.953 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -179.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -79.82 -12.93 59.74 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 115.344 1.609 . . . . 0.0 115.344 -178.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -46.38 -40.41 11.97 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -177.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.3 p -70.57 -42.14 71.47 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 122.042 0.925 . . . . 0.0 111.8 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.8 m -62.74 -36.3 82.57 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 126.692 1.997 . . . . 0.0 108.937 -176.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -48.74 -30.97 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.591 0 CA-C-N 114.449 -1.25 . . . . 0.0 110.387 178.248 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -58.81 -37.05 89.69 Favored Glycine 0 CA--C 1.532 1.154 0 CA-C-O 119.43 -0.65 . . . . 0.0 113.102 179.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.9 t -96.33 -40.84 8.93 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 118.337 1.068 . . . . 0.0 110.893 -178.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -80.09 -17.96 51.24 Favored 'General case' 0 N--CA 1.432 -1.37 0 C-N-CA 126.474 1.91 . . . . 0.0 114.562 -176.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.78 156.75 21.17 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.095 -1.202 . . . . 0.0 110.095 -179.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.25 -51.21 6.28 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.878 1.271 . . . . 0.0 112.432 -179.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -93.61 10.01 34.47 Favored 'General case' 0 N--CA 1.441 -0.895 0 C-N-CA 126.139 1.776 . . . . 0.0 113.892 -178.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 68.96 7.77 56.79 Favored Glycine 0 CA--C 1.529 0.928 0 CA-C-O 118.592 -1.115 . . . . 0.0 115.041 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.6 m -90.52 -11.2 40.89 Favored 'General case' 0 C--N 1.339 0.116 0 CA-C-N 118.902 1.351 . . . . 0.0 112.645 -178.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -71.87 118.68 15.02 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 106.154 -1.795 . . . . 0.0 106.154 179.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.98 84.03 0.32 Allowed 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 179.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -32.39 125.07 0.31 Allowed 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 128.587 2.755 . . . . 0.0 110.781 178.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 87.8 mmm 5.9 -70.98 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 129.732 3.213 . . . . 0.0 114.724 -177.277 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.74 41.98 0.86 Allowed Glycine 0 CA--C 1.537 1.461 0 CA-C-N 118.792 0.723 . . . . 0.0 112.638 178.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 34.8 m 50.24 55.67 9.1 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 127.246 2.219 . . . . 0.0 111.994 179.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.79 148.76 42.07 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 117.161 -1.816 . . . . 0.0 112.418 178.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.73 153.54 93.25 Favored Pre-proline 0 N--CA 1.445 -0.705 0 N-CA-C 103.494 -2.78 . . . . 0.0 103.494 174.173 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -52.69 114.69 1.81 Allowed 'Trans proline' 0 N--CA 1.454 -0.851 0 C-N-CA 121.438 1.425 . . . . 0.0 108.93 -179.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 52.1 t -66.36 -25.11 34.6 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 N-CA-C 107.888 -1.152 . . . . 0.0 107.888 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 51.0 tttp -43.7 86.23 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 127.451 2.3 . . . . 0.0 114.285 177.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 73.66 44.18 33.26 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-N 113.317 -1.765 . . . . 0.0 110.572 178.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -51.22 -41.91 60.61 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 179.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -179.32 -107.25 0.21 Allowed Glycine 0 CA--C 1.534 1.224 0 C-N-CA 127.862 2.648 . . . . 0.0 108.133 172.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 172.46 -58.75 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 130.929 3.692 . . . . 0.0 102.322 176.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -63.57 -42.53 98.31 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 105.374 -2.084 . . . . 0.0 105.374 172.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -55.03 -67.0 0.31 Allowed 'General case' 0 C--N 1.342 0.281 0 C-N-CA 124.895 1.278 . . . . 0.0 108.529 177.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 39.0 mt -44.7 -49.2 10.58 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 126.154 1.781 . . . . 0.0 110.725 179.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -63.76 -52.27 61.14 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 123.639 0.776 . . . . 0.0 112.101 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -58.34 -41.48 84.71 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 -178.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -66.48 -49.68 65.8 Favored 'General case' 0 N--CA 1.438 -1.043 0 C-N-CA 123.382 0.673 . . . . 0.0 110.669 -178.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 61.3 mtm -64.1 -39.83 94.9 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-O 118.163 -0.922 . . . . 0.0 110.161 178.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -58.9 -43.19 90.97 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 106.76 -1.57 . . . . 0.0 106.76 176.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.01 -55.97 18.74 Favored Glycine 0 CA--C 1.528 0.856 0 N-CA-C 109.775 -1.33 . . . . 0.0 109.775 176.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -63.66 -47.03 82.91 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 118.683 1.241 . . . . 0.0 110.856 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -46.41 -50.47 16.64 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 126.177 1.791 . . . . 0.0 109.694 -179.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -92.05 14.02 17.12 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.631 1.173 . . . . 0.0 112.745 -178.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 52.17 33.52 38.13 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 124.6 1.095 . . . . 0.0 113.53 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.0 t -115.32 29.42 8.02 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.95 1.7 . . . . 0.0 111.641 -178.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 56.4 t80 -162.85 164.41 26.07 Favored 'General case' 0 C--O 1.232 0.134 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 178.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -160.2 -178.2 33.98 Favored Glycine 0 N--CA 1.445 -0.763 0 CA-C-O 121.779 0.655 . . . . 0.0 112.677 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 178.86 178.66 48.29 Favored Glycine 0 N--CA 1.422 -2.279 0 C-N-CA 130.504 3.907 . . . . 0.0 107.322 -178.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -48.38 -26.85 2.26 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.401 1.88 . . . . 0.0 114.047 -178.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.05 38.9 3.33 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 119.968 1.258 . . . . 0.0 110.401 178.483 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.41 -30.76 63.19 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 -178.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.76 -58.24 8.15 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 118.633 0.651 . . . . 0.0 109.744 -178.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.15 -48.64 78.21 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 178.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.2 mmm -54.36 -50.51 67.28 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 81.7 m -58.01 -48.87 78.75 Favored 'General case' 0 N--CA 1.452 -0.343 0 O-C-N 121.424 -0.797 . . . . 0.0 109.218 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -58.31 -37.09 74.37 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 178.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.19 -46.17 85.11 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 123.764 0.826 . . . . 0.0 112.219 -179.175 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.4 m -96.53 -26.2 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -174.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -57.66 -24.15 55.11 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 119.849 1.204 . . . . 0.0 112.314 -176.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.9 pttp -74.74 -2.17 25.24 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 119.089 -0.481 . . . . 0.0 111.508 177.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -113.23 147.84 36.71 Favored 'General case' 0 N--CA 1.439 -1.002 0 C-N-CA 126.299 1.839 . . . . 0.0 108.311 179.107 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 91.2 p -97.92 167.31 10.99 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 127.558 2.343 . . . . 0.0 110.193 -179.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -40.69 -50.41 3.08 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.723 1.209 . . . . 0.0 113.485 -179.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -63.0 -47.2 84.17 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 121.055 0.455 . . . . 0.0 110.618 -178.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -61.28 -44.82 96.59 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 45.5 mt -59.83 -45.76 91.36 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.638 0.775 . . . . 0.0 109.411 178.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -60.57 -45.01 95.53 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.689 -0.632 . . . . 0.0 109.599 178.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.01 -45.32 95.31 Favored 'General case' 0 CA--C 1.521 -0.152 0 C-N-CA 123.497 0.719 . . . . 0.0 109.171 179.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.5 mt -58.94 -51.62 69.26 Favored 'General case' 0 N--CA 1.442 -0.845 0 O-C-N 122.303 -0.248 . . . . 0.0 111.039 178.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.0 -48.7 80.63 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 -178.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -53.06 -45.64 68.18 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 176.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 55.0 t80 -60.35 -59.85 4.75 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 178.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 56.7 mtm -49.34 -32.72 11.83 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.417 0.687 . . . . 0.0 112.543 177.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.1 t -56.96 -34.02 67.63 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 121.255 -0.903 . . . . 0.0 110.508 177.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? -113.59 44.78 1.53 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.11 1.364 . . . . 0.0 108.71 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 27.2 tp . . . . . 0 C--O 1.25 1.089 0 C-N-CA 125.19 1.396 . . . . 0.0 110.524 178.566 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.665 0 CA-C-O 117.221 -1.371 . . . . 0.0 107.596 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -61.53 133.7 56.0 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 119.671 1.123 . . . . 0.0 111.236 -179.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.52 -60.45 7.81 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 109.899 -1.281 . . . . 0.0 109.899 179.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -48.0 -46.78 33.23 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 117.522 0.661 . . . . 0.0 111.274 -179.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.53 -38.62 69.49 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-O 119.47 -0.3 . . . . 0.0 111.803 -179.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 67.5 mt -75.69 -50.99 13.74 Favored 'General case' 0 N--CA 1.435 -1.203 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 178.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -57.12 -22.6 41.12 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 -178.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -49.21 -34.86 15.73 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 119.232 0.924 . . . . 0.0 111.34 177.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.5 p -66.75 -34.48 77.92 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 121.453 -0.779 . . . . 0.0 112.518 179.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.7 m -76.87 -35.64 57.3 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 127.619 2.368 . . . . 0.0 109.875 -175.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -45.44 -32.37 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 C-N-CA 125.412 1.485 . . . . 0.0 111.397 179.475 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -53.93 -49.19 59.71 Favored Glycine 0 CA--C 1.533 1.159 0 N-CA-C 111.643 -0.583 . . . . 0.0 111.643 178.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.5 m -86.36 -42.64 13.5 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 117.585 0.692 . . . . 0.0 109.76 179.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 81.7 m-70 -66.92 -21.34 65.99 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -176.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 71.22 107.86 0.05 OUTLIER Glycine 0 CA--C 1.527 0.815 0 N-CA-C 115.795 1.078 . . . . 0.0 115.795 175.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 62.73 -65.0 0.1 Allowed 'General case' 0 C--N 1.342 0.27 0 C-N-CA 128.064 2.546 . . . . 0.0 111.74 177.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.6 p30 -127.3 -78.65 0.58 Allowed 'General case' 0 N--CA 1.421 -1.889 0 C-N-CA 129.442 3.097 . . . . 0.0 105.97 178.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -162.23 39.14 0.37 Allowed Glycine 0 CA--C 1.52 0.364 0 N-CA-C 107.364 -2.294 . . . . 0.0 107.364 178.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 79.2 p -86.74 -37.62 17.73 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.983 0.913 . . . . 0.0 112.288 -177.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -77.71 131.98 37.94 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 -179.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.09 78.22 1.73 Allowed 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 106.837 -1.542 . . . . 0.0 106.837 178.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -23.63 67.15 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 131.218 3.807 . . . . 0.0 120.457 -173.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 82.7 mmm 66.46 -54.15 0.42 Allowed 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 127.016 2.126 . . . . 0.0 112.327 176.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -92.06 35.72 3.91 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 109.607 -1.397 . . . . 0.0 109.607 177.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.0 m 52.5 49.85 19.53 Favored 'General case' 0 N--CA 1.445 -0.675 0 C-N-CA 124.775 1.23 . . . . 0.0 110.648 179.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.01 126.75 29.0 Favored 'General case' 0 C--N 1.345 0.385 0 C-N-CA 118.261 -1.376 . . . . 0.0 112.934 -178.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.71 126.22 82.31 Favored Pre-proline 0 CA--C 1.537 0.466 0 N-CA-C 102.884 -3.006 . . . . 0.0 102.884 174.166 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_endo -31.78 106.12 0.03 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 124.866 3.71 . . . . 0.0 114.014 -172.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 76.6 t -57.91 -30.27 37.89 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 178.048 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -47.14 89.67 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 127.021 2.128 . . . . 0.0 113.932 176.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 79.57 39.31 18.41 Favored Glycine 0 N--CA 1.444 -0.833 0 CA-C-N 112.083 -2.326 . . . . 0.0 111.296 177.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -57.43 -46.84 83.12 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 179.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 143.87 126.16 1.95 Allowed Glycine 0 C--O 1.213 -1.162 0 C-N-CA 127.044 2.259 . . . . 0.0 109.108 175.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.06 -51.16 18.26 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 122.077 2.938 . . . . 0.0 112.141 -178.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.3 tp10 -58.51 -45.86 87.92 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 179.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -56.8 -65.17 0.66 Allowed 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 124.832 1.253 . . . . 0.0 109.089 179.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 mt -51.47 -43.19 62.07 Favored 'General case' 0 N--CA 1.44 -0.927 0 C-N-CA 125.622 1.569 . . . . 0.0 111.096 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -67.11 -45.36 77.45 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 118.725 0.693 . . . . 0.0 110.873 -178.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -64.88 -41.88 95.26 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 -178.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -67.03 -50.38 62.21 Favored 'General case' 0 N--CA 1.441 -0.915 0 C-N-CA 123.323 0.649 . . . . 0.0 111.187 -178.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -65.27 -39.5 92.68 Favored 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 -179.243 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -60.64 -44.88 95.88 Favored 'General case' 0 C--N 1.34 0.16 0 N-CA-C 106.852 -1.536 . . . . 0.0 106.852 175.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -53.13 -50.18 52.8 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.362 -1.095 . . . . 0.0 110.362 177.102 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -64.94 -42.55 94.55 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 119.061 1.431 . . . . 0.0 109.672 178.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.88 -44.56 59.8 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.171 0.988 . . . . 0.0 109.824 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.6 p30 -99.03 10.94 40.44 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.45 0.7 . . . . 0.0 112.667 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.84 20.89 60.33 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 124.86 1.219 . . . . 0.0 115.578 179.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.4 t -104.89 36.47 2.44 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 119.616 1.708 . . . . 0.0 111.683 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -155.55 162.71 40.62 Favored 'General case' 0 CA--C 1.528 0.107 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 178.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -139.24 -174.86 13.75 Favored Glycine 0 C--N 1.338 0.642 0 C-N-CA 123.388 0.518 . . . . 0.0 113.525 -178.007 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 161.5 176.87 34.06 Favored Glycine 0 N--CA 1.427 -1.965 0 C-N-CA 128.726 3.06 . . . . 0.0 108.451 -177.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -55.19 -46.22 75.85 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 126.145 1.778 . . . . 0.0 112.13 -179.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -118.02 36.38 4.36 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 118.235 0.47 . . . . 0.0 109.84 179.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -50.51 -34.49 25.43 Favored 'General case' 0 N--CA 1.439 -0.984 0 C-N-CA 124.175 0.99 . . . . 0.0 112.659 -179.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.55 -53.64 39.24 Favored 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 123.258 0.623 . . . . 0.0 110.131 -179.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 89.2 mmm -57.49 -44.49 85.0 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 179.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.9 mmm -55.98 -61.0 2.67 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.676 178.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 85.9 m -48.11 -46.38 33.96 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.864 1.266 . . . . 0.0 109.513 177.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -43.28 88.73 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 118.339 0.518 . . . . 0.0 110.482 178.088 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.49 -31.06 66.7 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.0 0.52 . . . . 0.0 112.185 -178.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 53.3 t -89.95 -47.94 14.58 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 N-CA-C 116.88 2.178 . . . . 0.0 116.88 -174.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -48.42 -29.95 4.57 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 -174.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -65.59 -19.43 65.91 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -79.75 -169.81 2.12 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-O 123.961 1.839 . . . . 0.0 110.643 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 51.3 m -152.72 158.41 42.28 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 127.597 2.359 . . . . 0.0 107.575 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -34.04 -51.84 0.43 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 126.262 1.825 . . . . 0.0 114.244 -176.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.32 -52.14 66.92 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.231 0.539 . . . . 0.0 109.865 -179.5 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -58.25 -46.45 85.96 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 123.671 0.788 . . . . 0.0 109.375 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 48.2 mt -58.13 -48.0 81.56 Favored 'General case' 0 N--CA 1.457 -0.087 0 C-N-CA 122.698 0.399 . . . . 0.0 110.535 178.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -60.97 -44.03 97.92 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 122.911 0.485 . . . . 0.0 109.739 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.94 -44.24 93.43 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 11.4 mt -59.35 -60.81 3.26 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-O 118.499 -0.762 . . . . 0.0 109.485 178.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.39 -42.12 73.57 Favored 'General case' 0 C--O 1.226 -0.162 0 CA-C-N 118.751 0.705 . . . . 0.0 110.493 -178.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -53.59 -49.75 67.11 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 178.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -62.39 -58.74 6.57 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 177.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.9 mtp -50.13 -29.38 8.99 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 114.065 1.135 . . . . 0.0 114.065 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.1 t -65.06 -29.68 70.59 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 120.832 -1.168 . . . . 0.0 110.75 178.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.7 pttm -114.95 38.73 3.07 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.606 1.562 . . . . 0.0 109.81 178.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.4 tp . . . . . 0 C--O 1.249 1.078 0 C-N-CA 126.836 2.055 . . . . 0.0 111.048 179.97 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.584 0 CA-C-O 117.592 -1.194 . . . . 0.0 107.79 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -61.12 127.16 30.19 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 119.225 0.92 . . . . 0.0 112.044 -178.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.18 -51.87 55.91 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.771 -0.932 . . . . 0.0 110.771 178.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.47 -44.52 69.02 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 118.209 1.004 . . . . 0.0 110.791 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.35 -50.49 71.39 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 119.624 -0.227 . . . . 0.0 110.615 179.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 46.5 mt -57.32 -45.39 84.29 Favored 'General case' 0 N--CA 1.439 -0.986 0 CA-C-N 118.577 0.626 . . . . 0.0 110.036 -179.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -61.33 -13.2 17.56 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 114.135 1.161 . . . . 0.0 114.135 -177.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 61.3 mttm -56.49 -34.03 66.56 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 120.938 -1.101 . . . . 0.0 110.499 177.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.0 p -68.99 -6.64 29.06 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 179.201 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.6 m -109.63 -38.3 5.45 Favored 'General case' 0 CA--C 1.516 -0.346 0 C-N-CA 126.491 1.916 . . . . 0.0 110.818 -174.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.1 mp -45.93 -31.11 1.16 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 C-N-CA 125.187 1.395 . . . . 0.0 111.173 178.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -52.31 -42.85 56.9 Favored Glycine 0 CA--C 1.536 1.358 0 CA-C-N 118.677 0.671 . . . . 0.0 111.916 177.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.2 m -96.59 -46.35 6.36 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 117.736 0.768 . . . . 0.0 109.967 179.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -63.81 -25.0 67.98 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.882 0.873 . . . . 0.0 112.872 -177.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 70.76 107.52 0.04 OUTLIER Glycine 0 CA--C 1.526 0.747 0 C-N-CA 123.983 0.801 . . . . 0.0 115.056 176.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 58.94 -67.35 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 127.801 2.44 . . . . 0.0 113.442 177.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -157.39 68.54 0.54 Allowed 'General case' 0 N--CA 1.438 -1.028 0 C-N-CA 127.151 2.18 . . . . 0.0 107.289 179.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 56.04 28.16 53.0 Favored Glycine 0 CA--C 1.526 0.765 0 C-N-CA 123.976 0.798 . . . . 0.0 113.938 179.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 89.2 p -76.19 -29.58 57.7 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 118.132 0.966 . . . . 0.0 111.016 -179.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -94.52 132.53 39.1 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 121.126 0.489 . . . . 0.0 110.473 -178.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.44 82.07 1.44 Allowed 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 104.791 -2.3 . . . . 0.0 104.791 175.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -37.35 130.36 0.94 Allowed 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 115.117 1.525 . . . . 0.0 115.117 -175.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 22.2 mmt 14.91 -49.74 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.648 1 C-N-CA 134.554 5.142 . . . . 0.0 118.239 178.252 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.01 -28.5 70.37 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 176.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.0 m 109.86 53.8 0.0 OUTLIER 'General case' 0 N--CA 1.455 -0.175 1 C-N-CA 132.019 4.128 . . . . 0.0 104.224 -177.279 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.22 138.77 37.82 Favored 'General case' 0 N--CA 1.444 -0.755 0 N-CA-C 115.228 1.566 . . . . 0.0 115.228 -175.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.7 mtmm -60.48 117.52 25.42 Favored Pre-proline 0 N--CA 1.449 -0.478 0 N-CA-C 102.16 -3.274 . . . . 0.0 102.16 173.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -32.73 104.34 0.03 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.732 0 C-N-CA 123.97 3.113 . . . . 0.0 113.011 -176.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.9 t -54.99 -33.03 27.97 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.732 0 N-CA-C 107.053 -1.462 . . . . 0.0 107.053 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.5 tttp -58.55 80.36 0.01 OUTLIER 'General case' 0 C--N 1.344 0.36 0 C-N-CA 127.497 2.319 . . . . 0.0 111.522 176.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 131.84 -6.33 5.47 Favored Glycine 0 CA--C 1.521 0.447 0 CA-C-N 114.356 -1.293 . . . . 0.0 113.205 177.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -64.45 147.92 51.66 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 119.07 1.435 . . . . 0.0 107.441 178.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -40.07 -101.99 0.01 OUTLIER Glycine 0 CA--C 1.541 1.697 0 N-CA-C 118.983 2.353 . . . . 0.0 118.983 -174.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 177.68 -60.83 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 128.539 2.735 . . . . 0.0 105.481 179.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -59.92 -38.62 82.87 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 107.14 -1.43 . . . . 0.0 107.14 175.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -56.79 -65.19 0.66 Allowed 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 126.627 1.971 . . . . 0.0 107.936 177.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 19.5 mt -46.42 -49.31 18.28 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 125.997 1.719 . . . . 0.0 109.954 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -62.23 -52.94 61.74 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 125.275 1.43 . . . . 0.0 112.532 -179.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.9 mttp -59.19 -41.82 89.41 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-N 118.77 0.714 . . . . 0.0 109.433 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -67.29 -44.72 78.56 Favored 'General case' 0 N--CA 1.438 -1.036 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.991 -178.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 57.2 mtm -64.08 -40.76 96.96 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-O 118.518 -0.753 . . . . 0.0 109.334 177.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -58.46 -44.0 89.11 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 177.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.63 -40.59 94.89 Favored Glycine 0 CA--C 1.532 1.142 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 177.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -75.85 -32.96 59.98 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 119.029 1.414 . . . . 0.0 111.265 178.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.14 -50.47 20.24 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 125.417 1.487 . . . . 0.0 108.581 -179.291 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -89.23 -40.11 13.07 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 122.919 0.487 . . . . 0.0 109.73 177.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 116.02 14.64 7.71 Favored Glycine 0 CA--C 1.532 1.148 0 C-N-CA 124.967 1.27 . . . . 0.0 112.71 179.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.2 t -75.0 -23.54 58.25 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 118.417 1.109 . . . . 0.0 110.986 179.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -99.35 152.94 19.39 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 107.133 -1.432 . . . . 0.0 107.133 177.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -127.77 -174.94 13.91 Favored Glycine 0 C--N 1.338 0.647 0 N-CA-C 114.675 0.63 . . . . 0.0 114.675 -177.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 165.12 173.68 33.99 Favored Glycine 0 N--CA 1.427 -1.946 0 C-N-CA 129.019 3.199 . . . . 0.0 108.348 -178.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -57.54 -28.07 63.19 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 124.818 1.247 . . . . 0.0 112.35 -179.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 70.5 mmt-85 -128.13 37.52 4.15 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 178.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -53.87 -37.46 63.72 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -178.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.13 -48.47 79.99 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 118.302 0.501 . . . . 0.0 110.674 -179.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -61.71 -43.33 99.06 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 179.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 31.5 mmm -58.08 -59.56 5.09 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 109.641 -0.504 . . . . 0.0 109.641 178.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 30.8 m -48.9 -46.6 43.01 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.278 1.031 . . . . 0.0 109.532 176.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -58.81 -42.37 88.99 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 118.886 0.766 . . . . 0.0 110.927 178.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.35 -30.86 65.11 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -179.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 76.1 t -90.73 -43.46 14.4 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 N-CA-C 115.433 1.642 . . . . 0.0 115.433 -174.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -51.44 -28.83 14.11 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.366 1.066 . . . . 0.0 113.003 -176.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -64.8 -22.01 66.9 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 178.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -88.64 -168.95 2.36 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-O 123.37 1.557 . . . . 0.0 110.678 -179.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 25.2 m -159.56 160.48 34.51 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 127.473 2.309 . . . . 0.0 107.825 -177.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -27.53 -54.83 0.09 Allowed 'General case' 0 C--O 1.225 -0.187 0 C-N-CA 126.702 2.001 . . . . 0.0 115.234 -177.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.05 -52.94 62.82 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-O 121.395 0.616 . . . . 0.0 110.009 -178.036 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -59.12 -47.58 84.76 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 123.866 0.866 . . . . 0.0 109.869 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 62.5 mt -60.3 -47.29 86.64 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.2 0.6 . . . . 0.0 110.703 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -61.81 -45.61 93.08 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 179.244 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.45 -44.46 97.08 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 -179.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.6 mt -57.14 -60.32 3.79 Favored 'General case' 0 N--CA 1.442 -0.834 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 178.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.62 -46.65 63.7 Favored 'General case' 0 N--CA 1.453 -0.298 0 O-C-N 123.042 0.214 . . . . 0.0 110.978 -178.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -54.43 -41.28 69.17 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 176.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -67.43 -55.88 11.89 Favored 'General case' 0 C--N 1.34 0.171 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 176.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.7 mpp? -50.78 -30.91 15.35 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 119.074 0.852 . . . . 0.0 112.577 178.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.5 t -55.48 -30.75 61.18 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 120.65 -1.281 . . . . 0.0 111.516 177.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 44.3 mttp -103.67 28.81 6.23 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.972 1.309 . . . . 0.0 110.324 -179.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 14.4 tp . . . . . 0 C--O 1.25 1.08 0 C-N-CA 124.963 1.305 . . . . 0.0 110.636 -178.327 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.649 0 CA-C-O 117.624 -1.179 . . . . 0.0 107.954 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -42.98 114.81 0.65 Allowed 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 125.37 1.468 . . . . 0.0 111.442 -179.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -48.11 -52.01 18.5 Favored Glycine 0 CA--C 1.524 0.598 0 C-N-CA 123.83 0.728 . . . . 0.0 111.474 -179.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.43 -30.59 41.29 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 113.124 0.786 . . . . 0.0 113.124 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -84.11 -16.38 43.87 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 118.417 0.553 . . . . 0.0 110.906 -178.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 78.0 mt -91.53 -49.23 6.42 Favored 'General case' 0 N--CA 1.438 -1.038 0 N-CA-C 106.59 -1.633 . . . . 0.0 106.59 177.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -62.08 -17.89 58.96 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 114.387 1.255 . . . . 0.0 114.387 -177.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.4 pttm -52.41 -35.36 51.67 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 119.356 0.98 . . . . 0.0 110.407 177.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.67 -10.11 59.41 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.679 1.592 . . . . 0.0 112.962 -178.789 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.3 m -107.6 -33.68 7.24 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 127.728 2.411 . . . . 0.0 110.144 -177.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -45.92 -30.3 1.04 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 126.096 1.759 . . . . 0.0 110.301 177.591 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -56.13 -44.93 88.61 Favored Glycine 0 CA--C 1.537 1.433 0 O-C-N 121.446 -0.784 . . . . 0.0 111.843 177.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.3 m -90.68 -39.11 12.64 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 117.859 0.83 . . . . 0.0 110.669 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 -83.88 -16.46 44.29 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 115.565 1.691 . . . . 0.0 115.565 -175.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.86 156.05 26.72 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 110.36 -1.096 . . . . 0.0 110.36 -178.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -29.37 -61.94 0.13 Allowed 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 127.429 2.292 . . . . 0.0 114.129 -178.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.8 p-10 -111.31 47.83 0.98 Allowed 'General case' 0 N--CA 1.431 -1.376 0 C-N-CA 127.285 2.234 . . . . 0.0 109.31 -179.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 38.07 31.05 0.09 OUTLIER Glycine 0 CA--C 1.532 1.13 0 C-N-CA 126.863 2.173 . . . . 0.0 115.437 179.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.8 p -82.39 -26.16 33.09 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 127.168 2.187 . . . . 0.0 113.335 -178.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.5 ttmm -72.7 130.41 40.46 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 121.245 0.545 . . . . 0.0 110.594 -177.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.43 80.47 1.91 Allowed 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 104.999 -2.223 . . . . 0.0 104.999 175.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -40.3 133.55 1.8 Allowed 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 115.067 1.506 . . . . 0.0 115.067 -175.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.4 mmt 20.31 -75.2 0.0 OUTLIER 'General case' 0 C--N 1.342 0.282 1 C-N-CA 131.781 4.033 . . . . 0.0 115.723 179.089 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -52.73 -36.61 49.61 Favored Glycine 0 CA--C 1.528 0.89 0 N-CA-C 111.611 -0.595 . . . . 0.0 111.611 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 73.6 m 122.18 57.36 0.0 OUTLIER 'General case' 0 CA--C 1.528 0.105 1 C-N-CA 131.933 4.093 . . . . 0.0 106.348 -179.276 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.19 145.94 16.26 Favored 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 114.743 1.386 . . . . 0.0 114.743 -177.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -65.8 115.05 19.0 Favored Pre-proline 0 N--CA 1.447 -0.619 0 N-CA-C 100.395 -3.928 . . . . 0.0 100.395 172.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -34.1 119.64 0.12 Allowed 'Trans proline' 0 N--CA 1.456 -0.716 0 C-N-CA 123.469 2.78 . . . . 0.0 112.416 -175.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.7 t -57.09 -46.13 84.34 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 N-CA-C 105.231 -2.137 . . . . 0.0 105.231 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.1 tttp -51.21 113.78 1.03 Allowed 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 123.844 0.858 . . . . 0.0 110.917 173.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 113.53 -24.24 12.51 Favored Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 109.979 -1.249 . . . . 0.0 109.979 178.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -66.46 142.13 57.67 Favored 'General case' 0 N--CA 1.437 -1.104 0 N-CA-C 106.85 -1.537 . . . . 0.0 106.85 178.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -84.15 148.05 24.01 Favored Glycine 0 CA--C 1.526 0.759 0 CA-C-O 118.953 -0.915 . . . . 0.0 112.655 -176.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.48 -49.26 13.74 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-N 119.329 1.565 . . . . 0.0 112.291 -179.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.9 tp10 -59.9 -41.68 92.17 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 120.869 0.366 . . . . 0.0 110.048 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -60.97 -61.86 2.27 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 125.374 1.47 . . . . 0.0 108.295 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 34.7 mt -48.63 -45.96 39.16 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 126.874 2.07 . . . . 0.0 110.003 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -70.03 -47.49 61.88 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 123.641 0.776 . . . . 0.0 111.891 -178.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -60.21 -42.0 94.24 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 179.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -65.27 -52.3 55.23 Favored 'General case' 0 N--CA 1.436 -1.15 0 C-N-CA 123.517 0.727 . . . . 0.0 110.057 -179.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 43.6 mtm -60.57 -42.63 97.06 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 118.732 -0.651 . . . . 0.0 110.368 178.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.2 ttpm? -56.76 -44.03 81.36 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 178.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -60.85 -48.17 87.61 Favored Glycine 0 CA--C 1.529 0.952 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 176.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -63.85 -33.06 74.83 Favored 'General case' 0 C--N 1.342 0.249 0 CA-C-N 118.947 1.373 . . . . 0.0 110.634 179.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.12 -44.41 71.29 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.907 1.283 . . . . 0.0 107.767 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -88.64 -35.69 16.68 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 119.444 -0.312 . . . . 0.0 110.892 179.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 118.3 -2.56 16.28 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 125.588 1.566 . . . . 0.0 115.138 178.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 59.6 p -67.52 -58.71 4.23 Favored 'General case' 0 N--CA 1.431 -1.417 0 CA-C-N 120.071 1.936 . . . . 0.0 112.522 -178.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -63.74 145.79 55.09 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -128.75 -178.41 15.35 Favored Glycine 0 C--N 1.337 0.61 0 CA-C-O 121.972 0.762 . . . . 0.0 114.78 -177.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 175.05 173.06 40.53 Favored Glycine 0 N--CA 1.423 -2.17 0 C-N-CA 129.437 3.399 . . . . 0.0 108.157 -178.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -45.42 -40.21 7.91 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 127.554 2.341 . . . . 0.0 112.783 -179.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 68.9 mmt-85 -128.38 41.44 3.49 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.125 0.97 . . . . 0.0 109.721 179.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -51.52 -37.86 51.37 Favored 'General case' 0 C--O 1.223 -0.326 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -179.146 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.95 -49.19 78.67 Favored 'General case' 0 N--CA 1.456 -0.146 0 O-C-N 122.109 -0.369 . . . . 0.0 110.648 -178.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -60.37 -42.69 96.34 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 179.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.0 mmm -58.45 -60.49 3.71 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.765 178.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 31.3 m -47.43 -46.87 26.83 Favored 'General case' 0 C--O 1.224 -0.253 0 C-N-CA 124.337 1.055 . . . . 0.0 109.109 176.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -56.25 -36.58 68.69 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 118.447 0.567 . . . . 0.0 111.432 178.258 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -81.41 -35.18 31.02 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 118.476 0.58 . . . . 0.0 112.33 -178.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 77.1 t -82.72 -49.08 17.37 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 C-N-CA 127.295 2.238 . . . . 0.0 114.729 -176.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -63.69 71.93 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 126.752 2.021 . . . . 0.0 112.027 -176.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -173.46 -37.32 0.01 OUTLIER 'General case' 0 N--CA 1.44 -0.952 0 C-N-CA 128.924 2.89 . . . . 0.0 108.356 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -74.8 142.77 44.21 Favored 'General case' 0 N--CA 1.434 -1.256 0 CA-C-O 122.909 1.337 . . . . 0.0 109.219 179.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 63.4 p -78.39 167.78 20.82 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 112.466 -2.152 . . . . 0.0 108.658 177.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -55.47 -37.72 68.13 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 122.708 0.403 . . . . 0.0 110.21 177.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -65.6 -55.85 15.41 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.714 1.206 . . . . 0.0 109.311 178.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -56.05 -46.53 78.89 Favored 'General case' 0 CA--C 1.531 0.234 0 O-C-N 122.161 -0.337 . . . . 0.0 110.273 179.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 28.2 mt -58.64 -46.77 86.38 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.189 0.595 . . . . 0.0 109.53 178.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -60.63 -43.77 97.12 Favored 'General case' 0 CA--C 1.53 0.188 0 O-C-N 121.961 -0.462 . . . . 0.0 109.978 179.144 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.59 -44.11 97.13 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 -179.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.3 mt -59.9 -52.12 66.77 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 178.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.6 -43.14 89.44 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 -179.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -55.02 -51.04 67.52 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 178.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -59.32 -57.07 14.6 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 119.086 -0.483 . . . . 0.0 110.017 179.019 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 58.9 mtm -49.14 -39.91 30.6 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 118.992 0.815 . . . . 0.0 112.163 177.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.9 t -64.24 -8.56 13.04 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 117.938 -1.03 . . . . 0.0 113.254 -179.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -86.39 -13.3 46.75 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 119.523 1.056 . . . . 0.0 110.175 177.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.2 mp . . . . . 0 C--O 1.249 1.063 0 CA-C-O 117.657 -1.164 . . . . 0.0 109.297 178.089 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.617 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -42.92 120.33 1.75 Allowed 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.062 1.345 . . . . 0.0 112.16 -178.877 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -52.81 -56.01 20.52 Favored Glycine 0 C--N 1.337 0.589 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.502 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -50.16 -46.59 54.27 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 117.457 0.629 . . . . 0.0 111.351 179.758 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.23 -48.56 81.23 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 119.483 -0.294 . . . . 0.0 110.611 -179.341 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.4 mt -61.82 -47.83 83.31 Favored 'General case' 0 N--CA 1.44 -0.959 0 CA-C-N 118.54 0.609 . . . . 0.0 109.379 179.732 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -57.26 -19.4 21.33 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 113.944 1.09 . . . . 0.0 113.944 -177.879 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.6 mtpt -50.33 -41.11 50.76 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 119.663 1.119 . . . . 0.0 110.954 177.878 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.2 p -63.67 -29.45 70.68 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -179.84 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.4 m -85.39 -36.05 20.95 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 126.884 2.073 . . . . 0.0 109.903 -175.821 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -46.83 -32.94 1.97 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 C-N-CA 125.907 1.683 . . . . 0.0 110.692 179.512 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -53.87 -41.08 66.52 Favored Glycine 0 CA--C 1.534 1.276 0 O-C-N 121.911 -0.493 . . . . 0.0 112.139 178.183 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.8 m -96.58 -47.51 5.9 Favored 'General case' 0 N--CA 1.463 0.175 0 C-N-CA 123.663 0.785 . . . . 0.0 110.138 179.476 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 87.5 m-70 -70.4 -13.47 62.15 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 124.503 1.121 . . . . 0.0 114.002 -177.09 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 78.69 165.15 27.84 Favored Glycine 0 N--CA 1.446 -0.691 0 CA-C-O 122.221 0.901 . . . . 0.0 112.279 179.065 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.22 101.84 0.06 Allowed 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 114.158 -1.021 . . . . 0.0 110.812 -179.496 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.9 t70 78.77 37.77 0.15 Allowed 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 127.111 2.164 . . . . 0.0 110.116 176.73 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 60.12 20.48 54.21 Favored Glycine 0 CA--C 1.527 0.813 0 C-N-CA 124.241 0.924 . . . . 0.0 114.529 178.214 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.0 m -71.4 -25.04 62.18 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 -177.569 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 41.5 tttp -90.79 140.87 29.38 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 122.282 1.039 . . . . 0.0 112.224 -177.456 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.81 88.97 1.8 Allowed 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 103.568 -2.753 . . . . 0.0 103.568 173.439 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -42.63 132.84 3.59 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 -175.567 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 26.0 mmt 16.93 -77.66 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 131.19 3.796 . . . . 0.0 115.593 179.423 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -49.08 -35.53 19.09 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 123.6 0.619 . . . . 0.0 111.99 179.784 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 68.6 m 120.15 59.39 0.0 OUTLIER 'General case' 0 N--CA 1.457 -0.098 1 C-N-CA 132.532 4.333 . . . . 0.0 106.895 179.379 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.3 152.22 17.92 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 -178.901 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.1 mtmm -64.88 118.09 45.36 Favored Pre-proline 0 N--CA 1.45 -0.474 0 N-CA-C 100.594 -3.854 . . . . 0.0 100.594 171.514 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -33.48 110.62 0.05 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 123.715 2.943 . . . . 0.0 111.406 -176.805 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 42.5 t -54.51 -39.51 45.72 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 N-CA-C 106.329 -1.73 . . . . 0.0 106.329 -178.376 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.6 tttp -59.62 94.51 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 122.251 1.024 . . . . 0.0 109.534 173.554 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 138.25 -32.4 2.34 Favored Glycine 0 N--CA 1.444 -0.803 0 CA-C-N 113.825 -1.534 . . . . 0.0 112.173 179.044 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . 0.274 0.6 OUTLIER -69.77 148.21 49.46 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 119.589 1.694 . . . . 0.0 110.092 -178.851 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -86.96 150.22 22.81 Favored Glycine 0 CA--C 1.526 0.753 0 C-N-CA 124.559 1.076 . . . . 0.0 115.122 -174.178 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -46.08 -50.66 14.98 Favored 'General case' 0 CA--C 1.515 -0.382 0 C-N-CA 127.303 2.241 . . . . 0.0 112.495 -178.084 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -56.22 -47.82 77.66 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 -179.684 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -59.59 -60.66 3.49 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 124.086 0.954 . . . . 0.0 108.587 179.687 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 15.7 mt -50.97 -42.94 60.38 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 125.324 1.449 . . . . 0.0 112.087 -179.232 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -72.18 -44.13 63.48 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 123.732 0.813 . . . . 0.0 110.637 -178.58 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -61.8 -42.23 98.74 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 -179.517 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -69.85 -44.9 68.94 Favored 'General case' 0 N--CA 1.436 -1.175 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.532 -178.366 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 56.7 mtm -65.36 -40.62 93.81 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 118.929 0.786 . . . . 0.0 109.871 177.389 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -58.84 -39.33 80.93 Favored 'General case' 0 CA--C 1.528 0.115 0 N-CA-C 107.011 -1.477 . . . . 0.0 107.011 176.776 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.78 -64.18 4.6 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 109.057 -1.617 . . . . 0.0 109.057 176.073 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -55.1 -36.06 65.29 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 118.132 0.966 . . . . 0.0 112.127 -179.19 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -48.64 -41.77 32.21 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.813 1.245 . . . . 0.0 109.097 179.376 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -114.04 25.52 11.07 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.575 1.15 . . . . 0.0 111.134 179.538 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 50.95 27.14 12.68 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 125.043 1.306 . . . . 0.0 113.988 -179.836 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 33.9 t -100.7 32.12 3.25 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.684 1.594 . . . . 0.0 111.719 -178.151 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -161.64 159.37 27.41 Favored 'General case' 0 C--O 1.232 0.172 0 N-CA-C 105.931 -1.878 . . . . 0.0 105.931 177.139 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -134.38 -175.1 13.73 Favored Glycine 0 C--N 1.338 0.676 0 CA-C-O 122.221 0.9 . . . . 0.0 115.212 -177.547 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 170.42 174.14 38.23 Favored Glycine 0 N--CA 1.424 -2.112 0 C-N-CA 130.064 3.697 . . . . 0.0 107.062 -178.519 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -46.64 -43.89 17.94 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 125.454 1.502 . . . . 0.0 110.235 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.7 ptm85 -127.58 49.17 2.15 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 121.496 0.665 . . . . 0.0 110.705 179.01 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -45.43 -37.51 5.19 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.22 1.408 . . . . 0.0 111.675 177.475 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.81 -50.68 67.98 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.664 1.186 . . . . 0.0 110.707 -179.124 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -44.0 95.03 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 178.828 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 20.4 mmm -56.42 -58.76 6.64 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.375 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 92.8 m -47.82 -43.66 28.18 Favored 'General case' 0 C--O 1.222 -0.36 0 C-N-CA 125.257 1.423 . . . . 0.0 109.32 176.114 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -63.59 -40.09 96.05 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 119.116 0.871 . . . . 0.0 110.542 179.039 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.8 -33.17 68.34 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.096 0.558 . . . . 0.0 112.014 -179.571 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 73.3 t -87.33 -48.96 15.09 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 C-N-CA 126.674 1.99 . . . . 0.0 114.618 -176.065 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.8 ttpp -68.89 70.12 0.19 Allowed 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 126.25 1.82 . . . . 0.0 111.134 -177.466 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.9 ptmm? -167.16 -30.69 0.02 OUTLIER 'General case' 0 N--CA 1.441 -0.885 0 C-N-CA 130.197 3.399 . . . . 0.0 107.866 179.787 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -76.04 -169.13 1.05 Allowed 'General case' 0 N--CA 1.44 -0.958 0 CA-C-O 123.935 1.826 . . . . 0.0 109.107 176.367 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.9 m -153.02 162.27 41.53 Favored 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 128.232 2.613 . . . . 0.0 106.924 179.274 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -33.09 -52.36 0.34 Allowed 'General case' 0 C--O 1.226 -0.171 0 C-N-CA 125.753 1.621 . . . . 0.0 114.217 -177.724 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -60.39 -50.96 71.53 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-O 120.774 0.321 . . . . 0.0 110.561 -178.023 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.2 mp0 -61.05 -46.26 91.41 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.327 0.651 . . . . 0.0 109.532 178.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 57.1 mt -59.12 -48.81 80.25 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-N 118.185 0.448 . . . . 0.0 110.339 179.806 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 24.4 ttpp -61.45 -41.89 97.91 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 123.621 0.768 . . . . 0.0 109.909 179.56 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.1 -46.21 82.0 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 -179.468 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.8 mt -58.44 -59.23 5.69 Favored 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 178.635 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.38 -39.9 67.64 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 118.763 -0.637 . . . . 0.0 110.318 -178.234 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -57.87 -49.49 76.53 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 177.476 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -59.97 -60.02 4.5 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 178.169 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.3 mpp? -50.1 -35.16 24.43 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.258 -0.901 . . . . 0.0 113.228 178.297 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.2 t -69.76 -20.81 63.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 117.322 -1.323 . . . . 0.0 113.144 -179.927 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -90.61 3.38 54.27 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 119.99 1.268 . . . . 0.0 110.376 178.209 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 84.0 mt . . . . . 0 C--O 1.251 1.16 0 CA-C-O 117.215 -1.374 . . . . 0.0 109.465 177.679 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.619 0 CA-C-O 117.491 -1.242 . . . . 0.0 107.809 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -61.23 128.61 37.25 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 119.258 0.935 . . . . 0.0 112.136 -178.77 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.52 -54.38 37.63 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 179.156 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.91 -45.34 67.52 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 117.769 0.784 . . . . 0.0 110.91 -179.738 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.91 -50.14 74.61 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 110.345 -0.243 . . . . 0.0 110.345 179.94 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 46.9 mt -58.02 -46.52 85.17 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-N 118.37 0.532 . . . . 0.0 109.931 -179.816 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -60.19 -15.89 28.24 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 114.185 1.18 . . . . 0.0 114.185 -177.868 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.2 mtpt -52.58 -40.58 62.76 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 119.73 1.15 . . . . 0.0 110.872 178.51 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.5 p -63.39 -23.27 67.33 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 113.129 0.789 . . . . 0.0 113.129 179.649 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.6 m -93.01 -36.34 12.78 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 127.105 2.162 . . . . 0.0 110.398 -175.282 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -46.61 -29.52 1.14 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 C-N-CA 125.791 1.636 . . . . 0.0 111.231 179.126 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -55.12 -50.75 57.99 Favored Glycine 0 CA--C 1.536 1.361 0 CA-C-N 118.785 0.72 . . . . 0.0 111.375 177.409 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.0 m -86.97 -45.1 11.1 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 117.604 0.702 . . . . 0.0 110.118 179.911 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 87.5 m-70 -69.42 -20.87 63.78 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 -176.827 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.11 159.79 25.72 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.218 -1.153 . . . . 0.0 110.218 -178.745 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -14.85 -57.65 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 129.216 3.007 . . . . 0.0 113.72 -178.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -147.17 65.8 1.15 Allowed 'General case' 0 N--CA 1.439 -1.019 0 C-N-CA 124.398 1.079 . . . . 0.0 108.378 177.193 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 60.58 22.84 59.87 Favored Glycine 0 CA--C 1.525 0.689 0 C-N-CA 123.184 0.421 . . . . 0.0 112.896 178.739 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.3 p -71.2 -32.4 68.79 Favored 'General case' 0 N--CA 1.441 -0.895 0 C-N-CA 125.382 1.473 . . . . 0.0 112.485 -177.718 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.3 mtmm -94.81 136.83 34.65 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 118.542 0.61 . . . . 0.0 110.119 179.722 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.65 86.57 1.21 Allowed 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 104.127 -2.546 . . . . 0.0 104.127 175.195 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -35.93 130.81 0.59 Allowed 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 115.449 1.648 . . . . 0.0 115.449 -174.85 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 11.1 tpt 25.62 -79.43 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 131.168 3.787 . . . . 0.0 115.142 178.578 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.81 -35.79 58.77 Favored Glycine 0 CA--C 1.526 0.759 0 CA-C-O 119.582 -0.566 . . . . 0.0 112.414 -179.347 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 70.4 m 124.63 56.91 0.0 OUTLIER 'General case' 0 CA--C 1.528 0.13 0 C-N-CA 131.301 3.84 . . . . 0.0 106.147 -178.623 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.44 146.21 30.3 Favored 'General case' 0 N--CA 1.443 -0.815 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 -177.295 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.2 mtmt -61.59 116.14 18.91 Favored Pre-proline 0 N--CA 1.448 -0.547 0 N-CA-C 102.275 -3.231 . . . . 0.0 102.275 173.623 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -32.89 105.34 0.04 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 124.065 3.176 . . . . 0.0 113.007 -176.736 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.0 t -56.41 -32.06 34.92 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 N-CA-C 107.386 -1.339 . . . . 0.0 107.386 -179.86 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.3 tttm -58.51 80.9 0.01 OUTLIER 'General case' 0 C--N 1.346 0.432 0 C-N-CA 126.714 2.005 . . . . 0.0 111.718 176.834 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 133.21 -8.17 5.08 Favored Glycine 0 CA--C 1.521 0.466 0 CA-C-N 114.515 -1.221 . . . . 0.0 113.103 178.112 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -63.92 146.85 53.29 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 119.004 1.402 . . . . 0.0 107.348 178.409 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -39.1 -101.95 0.01 OUTLIER Glycine 0 CA--C 1.54 1.65 0 N-CA-C 119.19 2.436 . . . . 0.0 119.19 -173.849 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 176.38 -59.56 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 128.975 2.91 . . . . 0.0 104.888 179.469 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -59.86 -41.86 92.4 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 106.173 -1.788 . . . . 0.0 106.173 175.488 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -52.94 -66.46 0.38 Allowed 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 126.117 1.767 . . . . 0.0 108.965 177.149 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 32.8 mt -45.56 -49.95 13.47 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 113.177 -1.828 . . . . 0.0 110.008 -179.962 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -65.45 -49.98 67.1 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 123.935 0.894 . . . . 0.0 112.611 -179.098 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -60.52 -39.71 88.82 Favored 'General case' 0 N--CA 1.427 -1.596 0 CA-C-N 119.485 1.039 . . . . 0.0 109.514 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -67.89 -48.65 65.45 Favored 'General case' 0 N--CA 1.437 -1.106 0 C-N-CA 122.861 0.464 . . . . 0.0 109.821 -179.319 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 61.3 mtm -62.87 -42.1 99.63 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-O 118.811 -0.614 . . . . 0.0 109.999 177.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -58.43 -42.97 88.51 Favored 'General case' 0 CA--C 1.529 0.147 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 177.496 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -56.56 -52.04 52.74 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 109.305 -1.518 . . . . 0.0 109.305 176.408 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -65.08 -32.3 73.95 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.94 1.37 . . . . 0.0 111.739 179.127 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -48.82 -51.31 30.1 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.827 1.251 . . . . 0.0 109.677 -178.577 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -93.38 -33.47 13.85 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.064 0.546 . . . . 0.0 110.95 178.928 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.96 17.65 6.27 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 125.938 1.733 . . . . 0.0 112.831 179.941 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 33.4 t -90.41 35.06 0.87 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.745 1.218 . . . . 0.0 111.426 -179.761 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -159.99 159.65 32.39 Favored 'General case' 0 C--O 1.232 0.147 0 N-CA-C 106.476 -1.675 . . . . 0.0 106.476 177.176 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -137.96 -173.77 13.09 Favored Glycine 0 C--N 1.336 0.554 0 CA-C-O 121.454 0.475 . . . . 0.0 113.65 -177.846 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 162.12 173.67 31.07 Favored Glycine 0 N--CA 1.425 -2.087 0 C-N-CA 128.291 2.853 . . . . 0.0 108.867 -178.468 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -45.37 -43.49 11.09 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 127.172 2.189 . . . . 0.0 111.783 179.924 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 63.9 mmt-85 -126.87 43.96 3.0 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 122.997 0.519 . . . . 0.0 110.087 -179.811 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.46 -34.78 36.93 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 179.616 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.87 -50.43 66.61 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 123.133 0.573 . . . . 0.0 110.323 -179.714 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 26.4 mmt -59.53 -44.76 93.09 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.054 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 30.1 mmm -58.07 -58.03 10.21 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.318 178.9 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 68.4 m -47.83 -47.44 31.31 Favored 'General case' 0 C--O 1.222 -0.39 0 C-N-CA 124.59 1.156 . . . . 0.0 109.134 177.096 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -60.92 -46.06 92.2 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 118.861 0.755 . . . . 0.0 111.073 178.722 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.95 90.96 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.635 0.774 . . . . 0.0 111.46 -179.629 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 77.1 t -82.07 -31.19 10.24 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 C-N-CA 127.372 2.269 . . . . 0.0 113.468 -176.774 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.71 -36.23 57.11 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 125.212 1.405 . . . . 0.0 111.895 -178.236 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -75.2 -3.0 30.51 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -179.901 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 21.8 m-30 -107.95 -172.31 2.04 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 125.226 1.41 . . . . 0.0 108.936 179.357 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 28.0 m -160.8 159.86 30.47 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 126.812 2.045 . . . . 0.0 107.901 -177.395 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -30.92 -48.55 0.11 Allowed 'General case' 0 C--O 1.225 -0.203 0 C-N-CA 126.646 1.978 . . . . 0.0 115.416 -177.107 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.02 -55.02 37.77 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 119.446 1.021 . . . . 0.0 109.32 179.896 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -56.59 -50.82 70.82 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 124.369 1.068 . . . . 0.0 109.363 179.863 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 74.2 mt -57.33 -46.53 83.16 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.969 0.908 . . . . 0.0 111.374 179.791 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -65.46 -40.28 93.01 Favored 'General case' 0 N--CA 1.452 -0.361 0 O-C-N 121.656 -0.653 . . . . 0.0 109.697 179.565 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.89 -45.5 89.07 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.822 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.3 mt -56.25 -59.83 4.37 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 177.56 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -50.66 -47.38 58.66 Favored 'General case' 0 N--CA 1.449 -0.51 0 O-C-N 123.447 0.467 . . . . 0.0 110.708 -178.29 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -54.39 -43.45 71.43 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 176.52 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -64.84 -57.71 8.13 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 177.026 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.9 mpp? -51.38 -28.47 12.73 Favored 'General case' 0 CA--C 1.539 0.519 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 178.581 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 17.1 t -55.86 -32.65 63.83 Favored 'General case' 0 CA--C 1.534 0.351 0 O-C-N 120.659 -1.276 . . . . 0.0 111.083 177.351 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 32.1 mmtt -103.62 32.04 4.08 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.579 0.752 . . . . 0.0 110.083 -178.508 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 14.8 tp . . . . . 0 C--O 1.251 1.151 0 C-N-CA 125.505 1.522 . . . . 0.0 110.318 -178.76 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 80' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.709 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -56.92 123.54 15.47 Favored 'General case' 0 N--CA 1.46 0.054 0 CA-C-N 119.398 0.999 . . . . 0.0 113.055 -178.717 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.96 -50.45 67.58 Favored Glycine 0 CA--C 1.528 0.845 0 N-CA-C 110.301 -1.12 . . . . 0.0 110.301 178.042 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.29 -49.85 71.07 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 118.204 1.002 . . . . 0.0 111.591 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.25 -51.39 69.16 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 -179.811 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 74.3 mt -54.21 -48.06 71.45 Favored 'General case' 0 N--CA 1.44 -0.933 0 CA-C-N 118.121 0.419 . . . . 0.0 110.787 -179.825 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -62.0 -13.99 31.07 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 114.556 1.317 . . . . 0.0 114.556 -177.331 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -58.44 -30.84 67.23 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 120.845 -1.16 . . . . 0.0 110.788 178.468 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.2 p -70.9 -6.2 36.52 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 112.759 0.651 . . . . 0.0 112.759 178.677 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.3 m -109.55 -37.32 5.73 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 126.624 1.97 . . . . 0.0 110.688 -174.684 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.1 mp -43.05 -35.91 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 C-N-CA 125.775 1.63 . . . . 0.0 110.173 177.442 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -50.1 -43.93 41.89 Favored Glycine 0 CA--C 1.536 1.366 0 O-C-N 121.693 -0.629 . . . . 0.0 112.714 178.171 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.6 m -96.05 -43.92 7.56 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 117.796 0.798 . . . . 0.0 110.421 179.463 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -72.13 -6.65 44.12 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.11 0.964 . . . . 0.0 113.526 -177.585 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 63.9 -158.21 41.37 Favored Glycine 0 N--CA 1.445 -0.742 0 N-CA-C 111.481 -0.648 . . . . 0.0 111.481 178.61 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.24 96.12 0.1 Allowed 'General case' 0 N--CA 1.445 -0.69 0 CA-C-O 121.899 0.857 . . . . 0.0 111.092 -179.307 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 48.22 61.27 3.1 Favored 'General case' 0 N--CA 1.436 -1.141 0 C-N-CA 127.156 2.182 . . . . 0.0 111.144 175.847 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.96 5.69 41.18 Favored Glycine 0 CA--C 1.525 0.663 0 CA-C-O 118.183 -1.343 . . . . 0.0 115.389 177.18 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 52.2 m -68.15 -27.12 66.15 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 119.549 1.675 . . . . 0.0 111.231 179.508 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -88.51 127.87 35.54 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 118.878 0.763 . . . . 0.0 109.584 -179.693 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.55 85.88 0.87 Allowed 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 105.411 -2.07 . . . . 0.0 105.411 176.086 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -36.81 126.71 0.89 Allowed 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 125.384 1.474 . . . . 0.0 114.859 -175.69 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 24.7 mmt 22.27 -76.28 0.0 OUTLIER 'General case' 0 C--N 1.342 0.275 0 C-N-CA 131.665 3.986 . . . . 0.0 115.391 178.863 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -52.95 -33.34 43.64 Favored Glycine 0 CA--C 1.529 0.919 0 C-N-CA 123.305 0.479 . . . . 0.0 112.086 179.504 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 70.5 m 119.95 56.86 0.0 OUTLIER 'General case' 0 C--O 1.23 0.076 1 C-N-CA 131.718 4.007 . . . . 0.0 107.158 179.717 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.58 146.4 30.44 Favored 'General case' 0 N--CA 1.445 -0.698 0 N-CA-C 114.641 1.349 . . . . 0.0 114.641 -178.292 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.7 mtmm -60.43 127.58 86.78 Favored Pre-proline 0 CA--C 1.538 0.514 0 N-CA-C 102.817 -3.031 . . . . 0.0 102.817 172.872 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_exo -41.95 100.94 0.04 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 123.95 3.1 . . . . 0.0 112.62 -177.967 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.3 t -52.3 -33.82 17.65 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 123.075 0.55 . . . . 0.0 109.726 -177.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.7 tttm -42.47 81.07 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 127.543 2.337 . . . . 0.0 116.072 176.534 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.55 14.79 57.94 Favored Glycine 0 N--CA 1.439 -1.131 0 CA-C-O 117.318 -1.823 . . . . 0.0 112.945 175.73 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . 0.325 7.0 pt20 -75.64 95.2 3.33 Favored 'General case' 0 C--N 1.349 0.571 0 CA-C-N 120.289 2.044 . . . . 0.0 110.014 179.9 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 50.36 -148.57 6.9 Favored Glycine 0 CA--C 1.542 1.722 0 C-N-CA 128.866 3.127 . . . . 0.0 110.831 -173.557 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -148.72 -61.56 0.24 Allowed 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 102.316 -3.216 . . . . 0.0 102.316 175.057 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 47.0 tt0 -56.53 -34.97 67.55 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 174.464 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -55.59 -70.53 0.11 Allowed 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 107.632 -1.247 . . . . 0.0 107.632 177.662 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -53.26 -37.49 62.18 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -178.831 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -65.61 -43.44 89.61 Favored 'General case' 0 N--CA 1.452 -0.364 0 O-C-N 121.922 -0.486 . . . . 0.0 110.656 -179.256 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.7 ttmm -69.51 -41.3 76.21 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 -178.856 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -63.41 -47.72 80.77 Favored 'General case' 0 N--CA 1.438 -1.054 0 C-N-CA 123.625 0.77 . . . . 0.0 109.125 -179.951 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 64.4 mtm -65.66 -39.37 91.31 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-O 117.59 -1.195 . . . . 0.0 109.577 178.068 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 58.1 tttp -58.31 -42.91 87.72 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 106.843 -1.539 . . . . 0.0 106.843 176.231 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -53.33 -58.21 12.77 Favored Glycine 0 CA--C 1.528 0.858 0 N-CA-C 109.796 -1.322 . . . . 0.0 109.796 176.934 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -60.89 -44.86 96.52 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 118.522 1.161 . . . . 0.0 111.167 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.95 -48.15 52.17 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 125.934 1.694 . . . . 0.0 108.896 179.686 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -90.86 13.1 17.36 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.702 1.201 . . . . 0.0 112.398 -179.24 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 51.42 35.69 36.52 Favored Glycine 0 CA--C 1.533 1.177 0 C-N-CA 124.545 1.069 . . . . 0.0 113.274 -179.861 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.6 t -120.87 31.8 6.25 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.904 1.682 . . . . 0.0 112.258 -178.121 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -158.64 160.96 37.08 Favored 'General case' 0 C--O 1.231 0.102 0 N-CA-C 107.147 -1.427 . . . . 0.0 107.147 178.041 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -140.8 -169.12 11.63 Favored Glycine 0 C--N 1.338 0.639 0 CA-C-O 121.895 0.72 . . . . 0.0 113.78 -178.063 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 159.05 177.18 31.89 Favored Glycine 0 N--CA 1.426 -2.022 0 C-N-CA 129.126 3.25 . . . . 0.0 108.72 -178.136 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -56.14 -27.89 55.88 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 125.874 1.669 . . . . 0.0 112.629 -178.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 83.6 mmt-85 -128.95 34.62 4.43 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.314 0.646 . . . . 0.0 109.934 177.945 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -47.42 -41.36 20.01 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 124.492 1.117 . . . . 0.0 112.815 179.557 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.18 -49.47 69.67 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.22 0.608 . . . . 0.0 110.642 -178.586 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 25.4 mmt -60.61 -42.91 97.76 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 179.095 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 37.6 mmm -57.98 -61.53 2.48 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 116.015 -0.538 . . . . 0.0 109.631 178.742 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 88.6 m -48.05 -45.47 32.29 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.209 1.004 . . . . 0.0 109.672 177.312 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -61.66 -40.42 94.86 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 121.695 -0.628 . . . . 0.0 111.531 179.159 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.72 -32.73 64.03 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.793 -0.567 . . . . 0.0 111.808 -179.769 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 67.4 t -85.0 -40.86 15.32 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 C-N-CA 125.893 1.677 . . . . 0.0 114.306 -176.072 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 56.9 pttt -52.48 -30.72 31.38 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 -176.626 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.2 pttm -72.63 -10.97 60.43 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.39 0.541 . . . . 0.0 112.194 -179.419 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -97.11 -169.9 1.94 Allowed 'General case' 0 N--CA 1.441 -0.922 0 CA-C-O 123.263 1.506 . . . . 0.0 109.11 178.721 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.3 m -153.42 161.32 42.41 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 127.064 2.145 . . . . 0.0 108.33 -179.44 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -29.43 -53.01 0.13 Allowed 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 126.792 2.037 . . . . 0.0 114.827 -177.728 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -60.91 -51.2 70.31 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 120.964 0.411 . . . . 0.0 110.268 -178.546 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.4 mp0 -58.87 -45.15 90.87 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 178.507 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 47.9 mt -58.12 -50.15 74.47 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 118.493 0.588 . . . . 0.0 110.676 179.036 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -59.46 -45.74 90.78 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 122.894 0.478 . . . . 0.0 110.402 -179.578 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.99 -43.57 95.32 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 -179.125 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 11.3 mt -57.95 -60.46 3.69 Favored 'General case' 0 N--CA 1.44 -0.952 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 178.473 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.18 -46.36 62.09 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 118.143 0.429 . . . . 0.0 111.195 -177.717 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -52.23 -47.73 65.53 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 176.67 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -62.37 -53.76 50.27 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 177.424 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.1 mpp? -49.5 -38.06 28.88 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 119.471 1.032 . . . . 0.0 112.382 178.492 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.3 t -60.12 -27.99 67.5 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 121.449 -0.782 . . . . 0.0 112.191 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -103.55 19.76 19.18 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.853 0.861 . . . . 0.0 111.827 -177.828 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 86.5 mt . . . . . 0 C--O 1.249 1.078 0 CA-C-O 117.692 -1.147 . . . . 0.0 110.524 177.522 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 80' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.72 0 CA-C-O 117.539 -1.22 . . . . 0.0 107.979 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -63.04 121.65 14.11 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 119.08 0.855 . . . . 0.0 112.504 -178.331 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -54.87 -42.87 80.98 Favored Glycine 0 CA--C 1.527 0.824 0 N-CA-C 110.626 -0.99 . . . . 0.0 110.626 177.691 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.6 -23.87 67.27 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 118.395 1.097 . . . . 0.0 112.18 -179.907 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -85.97 -47.66 9.4 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 108.123 -1.065 . . . . 0.0 108.123 179.548 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 38.3 mt -58.31 -43.29 88.1 Favored 'General case' 0 N--CA 1.442 -0.865 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -179.441 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.402 ' CE1' ' SD ' ' A' ' 76' ' ' MET . 2.0 t80 -64.76 -11.06 32.43 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 114.01 1.115 . . . . 0.0 114.01 -178.304 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -54.68 -37.33 65.64 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 120.012 1.278 . . . . 0.0 110.332 178.211 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.1 p -63.47 -23.0 67.21 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 179.227 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.1 m -98.29 -34.44 10.69 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 127.034 2.133 . . . . 0.0 111.462 -175.025 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.3 tp -46.39 -35.45 2.48 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 125.596 1.558 . . . . 0.0 111.322 -179.224 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -56.22 -36.68 69.6 Favored Glycine 0 CA--C 1.532 1.134 0 CA-C-O 119.451 -0.638 . . . . 0.0 112.856 179.081 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.8 t -95.19 -41.88 8.85 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-N 118.19 0.995 . . . . 0.0 111.732 -179.024 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 62.5 m-70 -79.52 -31.18 42.09 Favored 'General case' 0 N--CA 1.435 -1.218 0 C-N-CA 126.78 2.032 . . . . 0.0 116.058 -175.675 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 96.61 157.52 31.3 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 109.333 -1.507 . . . . 0.0 109.333 -177.169 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.22 -37.48 35.64 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 124.588 1.155 . . . . 0.0 112.8 -179.418 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 57.4 p30 -100.56 10.91 40.54 Favored 'General case' 0 N--CA 1.434 -1.23 0 C-N-CA 128.046 2.538 . . . . 0.0 112.334 -178.293 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 44.59 31.51 2.53 Favored Glycine 0 CA--C 1.529 0.968 0 C-N-CA 125.029 1.3 . . . . 0.0 113.434 -177.094 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.0 m -118.64 -6.04 10.68 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.819 0.847 . . . . 0.0 111.266 -179.914 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -83.41 67.06 9.17 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 106.472 -1.677 . . . . 0.0 106.472 178.661 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -12.31 93.12 0.01 OUTLIER 'General case' 0 C--N 1.342 0.246 0 C-N-CA 129.097 2.959 . . . . 0.0 113.248 -177.902 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.44 133.24 10.04 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 124.291 1.037 . . . . 0.0 111.817 -178.719 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 11.2 ptm -10.83 -51.33 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 131.148 3.779 . . . . 0.0 117.242 -176.754 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -53.26 -42.55 63.56 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 110.4 -1.08 . . . . 0.0 110.4 178.379 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 69.4 p 128.47 54.91 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.249 1 C-N-CA 134.014 4.926 . . . . 0.0 107.165 178.589 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.3 121.06 10.46 Favored 'General case' 0 C--N 1.348 0.506 0 C-N-CA 118.045 -1.462 . . . . 0.0 114.203 -176.656 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.49 120.48 48.98 Favored Pre-proline 0 N--CA 1.449 -0.51 0 N-CA-C 101.696 -3.446 . . . . 0.0 101.696 173.767 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -26.59 110.03 0.03 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.741 0 C-N-CA 124.938 3.759 . . . . 0.0 112.831 -175.089 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 73.7 t -59.67 -35.22 58.45 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 N-CA-C 107.382 -1.34 . . . . 0.0 107.382 -178.695 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -41.37 102.77 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 125.328 1.451 . . . . 0.0 114.55 177.39 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 64.58 40.56 97.69 Favored Glycine 0 N--CA 1.44 -1.043 0 CA-C-N 112.689 -2.05 . . . . 0.0 110.166 177.118 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -60.65 -36.14 77.94 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 107.347 -1.353 . . . . 0.0 107.347 179.608 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 132.16 121.11 2.22 Favored Glycine 0 C--O 1.217 -0.934 0 C-N-CA 128.0 2.714 . . . . 0.0 108.583 176.442 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.76 -46.04 10.3 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 121.091 2.446 . . . . 0.0 112.816 -177.64 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -63.22 -40.84 98.61 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 179.435 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -60.88 -64.12 1.06 Allowed 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 125.866 1.667 . . . . 0.0 107.952 179.253 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 33.3 mt -46.1 -50.83 14.9 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 127.091 2.156 . . . . 0.0 109.514 179.29 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -65.16 -51.65 59.87 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 123.388 0.675 . . . . 0.0 112.201 -179.8 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -57.22 -39.42 75.43 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 -178.885 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -70.95 -44.7 65.53 Favored 'General case' 0 N--CA 1.436 -1.135 0 C-N-CA 123.082 0.553 . . . . 0.0 110.195 -178.839 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 2.0 mtm -62.19 -44.3 96.91 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 118.8 0.727 . . . . 0.0 109.594 177.486 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -58.09 -45.74 86.67 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 107.044 -1.465 . . . . 0.0 107.044 177.864 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -53.41 -54.57 29.16 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 110.244 -1.142 . . . . 0.0 110.244 177.025 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -62.72 -43.12 99.64 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 118.628 1.214 . . . . 0.0 110.595 179.684 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.31 -50.31 59.61 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 125.643 1.577 . . . . 0.0 108.855 -179.837 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -90.53 11.21 22.54 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.455 1.102 . . . . 0.0 112.177 -179.299 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 51.08 31.92 26.88 Favored Glycine 0 CA--C 1.535 1.323 0 C-N-CA 124.326 0.965 . . . . 0.0 113.582 -179.22 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.8 t -114.94 33.48 5.38 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 125.966 1.706 . . . . 0.0 111.593 -178.439 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -164.66 163.3 21.67 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 106.19 -1.782 . . . . 0.0 106.19 179.262 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -151.04 -176.9 24.36 Favored Glycine 0 N--CA 1.447 -0.593 0 CA-C-O 122.129 0.85 . . . . 0.0 114.339 -179.192 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -176.47 176.18 47.75 Favored Glycine 0 N--CA 1.424 -2.137 1 C-N-CA 131.708 4.48 . . . . 0.0 106.637 -178.673 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -55.06 -25.29 29.82 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 124.766 1.226 . . . . 0.0 112.854 -178.435 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.87 38.96 3.35 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.478 0.711 . . . . 0.0 110.563 178.889 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.17 -36.54 30.75 Favored 'General case' 0 C--N 1.34 0.183 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 -179.246 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.47 -51.8 67.9 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 122.658 0.383 . . . . 0.0 110.886 -178.552 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 61.9 mtt -61.09 -40.56 94.19 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 179.215 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 21.8 mmm -57.21 -60.9 2.93 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 178.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 45.1 m -51.51 -44.67 62.62 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.544 0.738 . . . . 0.0 109.498 177.256 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.14 -36.58 70.89 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.021 0.528 . . . . 0.0 110.667 179.341 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.89 -59.51 2.75 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 122.251 1.024 . . . . 0.0 108.658 178.763 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 72.5 t -49.72 -40.62 15.82 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 C-N-CA 126.926 2.09 . . . . 0.0 113.767 -176.651 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -57.04 -21.42 31.09 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 119.6 1.091 . . . . 0.0 113.088 -179.099 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 47.9 tttp -64.79 -30.78 71.8 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.645 0.657 . . . . 0.0 111.397 178.545 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -91.79 -177.22 4.69 Favored 'General case' 0 N--CA 1.436 -1.137 0 C-N-CA 125.488 1.515 . . . . 0.0 111.202 -175.937 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.6 t -136.82 169.14 18.25 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 128.023 2.529 . . . . 0.0 108.371 179.465 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -43.28 -49.68 6.71 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 125.632 1.573 . . . . 0.0 113.275 -176.944 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.45 -53.22 60.61 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 -179.13 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -57.07 -43.5 82.13 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 123.27 0.628 . . . . 0.0 109.614 179.187 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.7 mt -60.45 -49.52 77.26 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 118.981 0.81 . . . . 0.0 109.714 178.728 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -57.51 -46.21 84.06 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 121.951 -0.468 . . . . 0.0 109.784 179.421 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.09 -44.58 95.32 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 -179.744 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 15.0 mt -59.52 -48.25 82.37 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.432 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.95 -41.74 96.89 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 -179.552 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -55.59 -49.0 73.93 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 177.565 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -58.78 -61.32 2.71 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 178.379 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.402 ' SD ' ' CE1' ' A' ' 7' ' ' TYR . 68.6 mtm -49.78 -32.77 14.67 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 178.204 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.6 t -71.18 -30.8 66.87 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-O 118.442 -0.789 . . . . 0.0 111.248 -179.626 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 44.8 pttt -107.83 26.7 10.01 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.6 0.76 . . . . 0.0 109.996 179.044 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 39.4 tp . . . . . 0 C--O 1.252 1.218 0 C-N-CA 125.804 1.641 . . . . 0.0 110.435 179.295 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 80' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.708 0 CA-C-O 118.789 -0.624 . . . . 0.0 109.718 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -47.55 117.55 1.86 Allowed 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 125.997 1.719 . . . . 0.0 112.527 -178.472 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -49.48 -49.13 33.47 Favored Glycine 0 CA--C 1.527 0.808 0 N-CA-C 111.335 -0.706 . . . . 0.0 111.335 179.154 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.3 -25.63 15.55 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 112.891 0.701 . . . . 0.0 112.891 179.548 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -89.86 -22.17 22.18 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 118.908 0.776 . . . . 0.0 110.72 -179.58 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 67.6 mt -85.5 -34.88 21.47 Favored 'General case' 0 N--CA 1.435 -1.179 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 179.808 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -76.31 -8.22 56.62 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 115.932 1.827 . . . . 0.0 115.932 -177.887 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.3 mtmm -52.18 -45.8 65.27 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.056 -1.027 . . . . 0.0 112.377 -178.405 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.3 m -68.5 -6.81 27.26 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 -179.407 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 10.4 m -100.81 -37.36 8.73 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 126.672 1.989 . . . . 0.0 109.959 -177.228 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -47.32 -30.16 1.71 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 C-N-CA 125.198 1.399 . . . . 0.0 109.717 177.011 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -49.61 -47.09 37.83 Favored Glycine 0 CA--C 1.536 1.389 0 C-N-CA 123.939 0.781 . . . . 0.0 112.823 177.64 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.5 m -91.25 -45.65 8.51 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 118.666 1.233 . . . . 0.0 110.157 179.594 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 69.3 m-70 -70.33 -16.91 63.05 Favored 'General case' 0 N--CA 1.431 -1.412 0 C-N-CA 126.195 1.798 . . . . 0.0 115.684 -175.565 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.37 154.74 23.38 Favored Glycine 0 CA--C 1.528 0.867 0 N-CA-C 109.356 -1.498 . . . . 0.0 109.356 -178.112 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -34.93 -59.71 0.48 Allowed 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 126.139 1.776 . . . . 0.0 113.184 -178.339 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.1 p-10 -102.69 38.23 1.76 Allowed 'General case' 0 N--CA 1.438 -1.066 0 C-N-CA 125.861 1.665 . . . . 0.0 111.512 -179.429 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 47.48 30.22 6.02 Favored Glycine 0 CA--C 1.532 1.115 0 C-N-CA 124.904 1.24 . . . . 0.0 114.984 178.149 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.1 p -89.88 -29.71 18.37 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 126.728 2.011 . . . . 0.0 113.702 -176.216 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.88 131.92 41.98 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 -177.838 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.7 80.75 0.85 Allowed 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 179.905 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -37.94 133.07 0.9 Allowed 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 126.5 1.92 . . . . 0.0 115.255 -176.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 38.7 tpp 21.85 -82.23 0.0 OUTLIER 'General case' 0 C--N 1.345 0.376 0 C-N-CA 129.938 3.295 . . . . 0.0 113.107 179.468 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.0 46.26 2.08 Favored Glycine 0 CA--C 1.53 1.026 0 CA-C-O 119.644 -0.531 . . . . 0.0 112.141 179.133 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.9 m 47.16 53.39 10.77 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 126.852 2.061 . . . . 0.0 111.097 178.716 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.31 138.6 56.29 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 114.446 1.276 . . . . 0.0 114.446 -177.898 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.9 pttm -63.1 114.09 11.48 Favored Pre-proline 0 CA--C 1.542 0.638 0 N-CA-C 102.377 -3.194 . . . . 0.0 102.377 172.344 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -32.13 119.56 0.09 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.525 0 C-N-CA 124.568 3.512 . . . . 0.0 114.061 -175.374 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 28.9 m -66.17 -18.22 23.68 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.733 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 179.163 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 43.5 tptt -54.19 85.36 0.0 OUTLIER 'General case' 0 C--N 1.346 0.43 0 C-N-CA 126.856 2.062 . . . . 0.0 112.018 175.908 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 112.48 2.98 25.84 Favored Glycine 0 C--N 1.318 -0.438 0 CA-C-N 114.258 -1.337 . . . . 0.0 113.521 177.01 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -63.92 147.02 52.97 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 105.382 -2.081 . . . . 0.0 105.382 176.271 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -76.06 141.11 26.65 Favored Glycine 0 CA--C 1.529 0.913 0 O-C-N 120.674 -1.267 . . . . 0.0 114.097 -175.065 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -46.06 -48.43 16.93 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 119.797 1.798 . . . . 0.0 112.378 179.821 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.5 tm-20 -59.64 -44.1 93.62 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 -179.93 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -59.09 -63.3 1.35 Allowed 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 125.355 1.462 . . . . 0.0 107.846 179.694 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 49.1 mt -45.86 -49.62 15.21 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 126.925 2.09 . . . . 0.0 109.681 -179.87 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -66.54 -50.05 64.43 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 123.014 0.526 . . . . 0.0 112.323 -179.482 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -59.37 -40.71 87.38 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 121.525 0.679 . . . . 0.0 109.82 -178.918 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -69.97 -50.74 38.73 Favored 'General case' 0 N--CA 1.439 -1.017 0 C-N-CA 123.113 0.565 . . . . 0.0 110.174 -178.307 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 60.5 mtm -61.81 -37.08 83.07 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 118.481 -0.771 . . . . 0.0 109.638 178.574 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -58.33 -47.56 83.36 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 177.698 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.01 -45.52 92.28 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.313 -0.715 . . . . 0.0 111.313 177.458 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -66.54 -33.14 75.02 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 118.302 1.051 . . . . 0.0 109.905 177.669 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.22 -49.4 69.87 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 124.348 1.059 . . . . 0.0 109.518 -179.017 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.5 p30 -88.12 -15.94 34.8 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -177.528 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.98 5.4 62.58 Favored Glycine 0 CA--C 1.531 1.036 0 C-N-CA 124.029 0.823 . . . . 0.0 113.346 179.181 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.0 t -76.27 -8.76 57.77 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 118.722 1.261 . . . . 0.0 111.097 178.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -138.6 153.1 48.64 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 105.55 -2.019 . . . . 0.0 105.55 177.873 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 158.79 -172.44 35.61 Favored Glycine 0 C--N 1.334 0.439 0 N-CA-C 108.023 -2.031 . . . . 0.0 108.023 -178.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 172.48 179.02 43.03 Favored Glycine 0 N--CA 1.423 -2.178 0 C-N-CA 128.442 2.925 . . . . 0.0 106.597 179.159 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -57.27 -52.14 66.53 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.322 0.582 . . . . 0.0 109.637 -179.826 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 43.5 mtm105 -59.58 -38.22 80.59 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 123.811 0.844 . . . . 0.0 109.717 -179.662 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.53 20.83 6.85 Favored 'General case' 0 N--CA 1.426 -1.665 0 C-N-CA 125.087 1.355 . . . . 0.0 112.221 -178.615 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.54 -51.07 60.55 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 177.596 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 26.3 mmt -56.23 -47.81 77.73 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 177.61 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 35.7 mmm -50.99 -60.59 2.93 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.819 0.847 . . . . 0.0 110.509 178.579 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 33.1 m -52.65 -51.98 57.74 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 122.715 0.406 . . . . 0.0 109.915 -179.562 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -58.03 -33.4 68.93 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 111.655 0.243 . . . . 0.0 111.655 179.578 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -80.19 -60.55 2.29 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 -177.53 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.2 m -59.43 -30.19 43.81 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.104 0 CA-C-O 118.435 -0.793 . . . . 0.0 112.708 -169.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.55 -16.42 6.0 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 119.336 0.971 . . . . 0.0 112.575 179.947 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -65.1 -24.22 67.37 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 119.182 0.901 . . . . 0.0 110.491 176.403 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -98.19 144.63 27.44 Favored 'General case' 0 N--CA 1.432 -1.338 0 C-N-CA 126.955 2.102 . . . . 0.0 108.049 -179.596 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 58.1 p -90.82 169.45 10.93 Favored 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 127.43 2.292 . . . . 0.0 108.558 177.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -49.39 -44.02 44.74 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.817 0.735 . . . . 0.0 112.783 -179.294 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -60.62 -53.5 56.68 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 118.574 0.625 . . . . 0.0 109.799 179.408 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -55.64 -48.31 75.19 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.983 0.913 . . . . 0.0 109.843 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 66.1 mt -60.74 -46.06 91.89 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 124.367 1.067 . . . . 0.0 110.59 179.088 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.4 tptp -61.97 -42.77 99.5 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 179.184 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.23 -45.86 91.44 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.949 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.9 mt -54.86 -54.34 43.65 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 177.61 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.69 -45.84 88.59 Favored 'General case' 0 N--CA 1.452 -0.347 0 O-C-N 123.154 0.284 . . . . 0.0 110.511 -178.266 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -54.73 -49.23 71.28 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.213 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -59.87 -60.78 3.29 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 178.123 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 62.1 mtm -49.59 -35.87 22.22 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -179.743 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.6 t -56.7 -28.0 60.06 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.471 -0.768 . . . . 0.0 110.238 179.62 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -123.22 52.02 1.41 Allowed 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 105.197 -2.149 . . . . 0.0 105.197 175.12 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.229 0 C-N-CA 127.05 2.14 . . . . 0.0 111.583 -178.374 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 80' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.655 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -46.95 112.37 0.51 Allowed 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 125.044 1.338 . . . . 0.0 112.16 -178.821 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -51.8 -49.37 47.97 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.661 -0.975 . . . . 0.0 110.661 179.618 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.76 -27.27 59.2 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 121.735 -0.862 . . . . 0.0 112.797 179.499 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.85 -48.66 10.52 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 179.715 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 79.3 mt -56.75 -41.86 78.3 Favored 'General case' 0 N--CA 1.442 -0.825 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 179.928 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -67.94 -8.82 40.14 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 114.746 1.387 . . . . 0.0 114.746 -178.056 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 61.7 mtpt -50.03 -46.56 53.09 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 119.7 1.136 . . . . 0.0 111.954 -179.793 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.3 m -78.09 23.9 0.26 Allowed 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 113.547 0.943 . . . . 0.0 113.547 -178.178 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.1 m -128.36 -33.91 2.1 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 125.743 1.617 . . . . 0.0 109.335 -177.51 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.8 mm -44.85 -38.5 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.478 0 C-N-CA 126.219 1.808 . . . . 0.0 110.355 177.736 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -47.73 -37.8 14.8 Favored Glycine 0 CA--C 1.533 1.215 0 CA-C-O 119.42 -0.656 . . . . 0.0 113.131 178.846 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.0 m -105.19 -43.51 5.0 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 117.96 0.88 . . . . 0.0 111.524 179.867 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -80.7 -29.47 36.47 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 115.024 1.49 . . . . 0.0 115.024 -175.635 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 89.08 151.78 24.74 Favored Glycine 0 CA--C 1.527 0.83 0 N-CA-C 109.732 -1.347 . . . . 0.0 109.732 -177.511 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.97 -26.11 24.13 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.465 1.106 . . . . 0.0 113.084 -178.939 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.0 p-10 -115.65 16.37 16.45 Favored 'General case' 0 N--CA 1.432 -1.35 0 C-N-CA 129.663 3.185 . . . . 0.0 112.331 -177.454 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 51.74 24.28 12.46 Favored Glycine 0 C--N 1.339 0.71 0 N-CA-C 116.633 1.413 . . . . 0.0 116.633 177.104 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 72.0 p -93.8 -19.18 21.27 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 118.156 0.978 . . . . 0.0 111.789 -178.56 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.7 mptt -75.54 116.38 16.2 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 106.617 -1.623 . . . . 0.0 106.617 -178.736 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.51 80.91 0.57 Allowed 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 -179.485 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -33.68 123.96 0.44 Allowed 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 126.381 1.872 . . . . 0.0 114.289 -176.71 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 22.4 mmt 13.48 -71.43 0.0 OUTLIER 'General case' 0 C--N 1.346 0.435 0 C-N-CA 131.246 3.818 . . . . 0.0 113.674 -179.35 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.38 44.08 1.62 Allowed Glycine 0 CA--C 1.534 1.28 0 CA-C-N 118.694 0.679 . . . . 0.0 111.53 176.963 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 27.9 m 46.34 51.43 11.52 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 127.382 2.273 . . . . 0.0 112.283 178.897 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.2 129.82 43.75 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 117.987 -1.485 . . . . 0.0 111.685 179.639 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -57.9 135.19 83.52 Favored Pre-proline 0 CA--C 1.542 0.66 0 N-CA-C 103.632 -2.729 . . . . 0.0 103.632 173.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_endo -39.6 106.56 0.06 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 124.067 3.178 . . . . 0.0 113.09 -174.099 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 52.9 t -55.96 -23.86 16.2 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 C-N-CA 123.863 0.865 . . . . 0.0 110.131 -179.188 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -43.95 90.97 0.0 OUTLIER 'General case' 0 C--N 1.341 0.214 0 CA-C-O 123.39 1.566 . . . . 0.0 113.525 175.404 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 71.75 48.33 28.76 Favored Glycine 0 N--CA 1.443 -0.868 0 CA-C-N 112.062 -2.335 . . . . 0.0 110.24 179.083 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -53.78 -36.24 62.19 Favored 'General case' 0 CA--C 1.554 1.103 0 N-CA-C 107.357 -1.349 . . . . 0.0 107.357 179.36 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.18 -110.58 0.32 Allowed Glycine 0 CA--C 1.534 1.275 0 C-N-CA 129.653 3.502 . . . . 0.0 107.669 172.879 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -179.98 -63.76 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 130.349 3.46 . . . . 0.0 102.515 176.15 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 -62.06 -40.1 94.63 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 105.038 -2.208 . . . . 0.0 105.038 172.777 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -53.98 -66.38 0.41 Allowed 'General case' 0 C--N 1.342 0.28 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 176.817 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.9 mt -48.83 -42.16 35.29 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 124.921 1.288 . . . . 0.0 111.873 -179.376 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -71.94 -41.22 68.07 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 123.425 0.69 . . . . 0.0 111.566 -178.77 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -66.24 -41.18 90.37 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 -179.544 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 63.3 mmtt -64.53 -51.95 60.23 Favored 'General case' 0 N--CA 1.437 -1.116 0 C-N-CA 124.14 0.976 . . . . 0.0 108.515 -179.715 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 49.4 mtm -62.35 -38.2 88.6 Favored 'General case' 0 C--O 1.214 -0.801 0 CA-C-O 117.784 -1.103 . . . . 0.0 110.319 178.153 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -60.01 -46.39 89.65 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 120.935 1.698 . . . . 0.0 107.583 178.014 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -55.23 -42.59 82.72 Favored Glycine 0 CA--C 1.528 0.884 0 N-CA-C 111.784 -0.526 . . . . 0.0 111.784 177.437 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -74.85 -31.31 61.61 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 117.783 0.792 . . . . 0.0 110.145 177.413 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.56 -45.72 88.36 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 106.66 -1.607 . . . . 0.0 106.66 179.278 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -79.39 -39.39 32.62 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 177.074 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.21 -4.48 22.0 Favored Glycine 0 CA--C 1.53 0.994 0 C-N-CA 125.257 1.408 . . . . 0.0 114.128 177.219 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 27.0 t -72.86 -32.37 65.38 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 118.674 1.237 . . . . 0.0 111.94 -178.517 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -73.91 149.19 41.62 Favored 'General case' 0 C--N 1.342 0.268 0 CA-C-N 120.239 1.381 . . . . 0.0 108.4 179.627 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -120.82 -174.02 14.94 Favored Glycine 0 C--N 1.337 0.585 0 C-N-CA 123.575 0.607 . . . . 0.0 114.113 -177.932 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 157.21 175.0 27.64 Favored Glycine 0 N--CA 1.425 -2.053 0 C-N-CA 128.281 2.848 . . . . 0.0 108.531 -177.804 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -61.91 -28.54 69.6 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 125.671 1.588 . . . . 0.0 112.424 -179.2 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 88.0 mmt-85 -127.4 32.03 5.1 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 123.912 0.885 . . . . 0.0 109.624 178.543 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.78 -31.41 58.74 Favored 'General case' 0 N--CA 1.438 -1.027 0 C-N-CA 123.218 0.607 . . . . 0.0 112.434 -178.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.99 -54.2 29.19 Favored 'General case' 0 N--CA 1.456 -0.139 0 CA-C-N 118.259 0.481 . . . . 0.0 109.961 -179.468 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 17.0 tpt -56.95 -47.08 81.52 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 178.711 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 41.3 mmm -54.6 -61.44 2.31 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.704 179.056 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 52.4 m -47.5 -47.87 27.41 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 124.613 1.165 . . . . 0.0 109.969 177.961 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.6 -42.81 97.51 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 118.527 0.603 . . . . 0.0 110.921 179.678 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.27 -31.92 66.19 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.373 0.669 . . . . 0.0 112.669 -178.651 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 79.5 t -87.75 -47.52 15.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 126.169 1.787 . . . . 0.0 114.295 -175.533 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -52.16 -30.1 25.2 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.164 0.986 . . . . 0.0 112.39 -177.505 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.0 ptpp? -70.5 -14.69 62.62 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 118.914 -0.565 . . . . 0.0 112.516 179.288 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -102.41 156.73 17.4 Favored 'General case' 0 N--CA 1.437 -1.09 0 C-N-CA 124.998 1.319 . . . . 0.0 108.755 179.839 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 86.0 p -96.8 162.13 13.56 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 127.207 2.203 . . . . 0.0 109.645 179.519 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -49.44 -40.19 35.84 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 122.921 0.488 . . . . 0.0 112.093 179.885 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -60.65 -54.83 40.6 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 178.945 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -56.64 -48.13 78.22 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.445 0.698 . . . . 0.0 110.067 179.348 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 77.7 mt -58.86 -47.31 85.35 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.816 0.846 . . . . 0.0 110.509 179.346 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -63.32 -38.24 90.39 Favored 'General case' 0 N--CA 1.453 -0.302 0 O-C-N 121.395 -0.815 . . . . 0.0 109.93 179.727 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.41 -44.83 81.92 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 179.035 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.9 mt -56.44 -50.08 72.71 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 177.815 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.08 -50.51 73.22 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 123.112 0.565 . . . . 0.0 109.86 -179.672 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -52.01 -44.55 64.19 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 176.861 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -63.5 -58.81 5.83 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 178.208 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 56.3 mtm -47.84 -31.24 4.78 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 176.66 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.6 t -59.62 -37.35 78.4 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.205 -0.934 . . . . 0.0 110.749 178.693 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -105.56 33.09 3.89 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.61 1.164 . . . . 0.0 110.415 -179.632 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 40.5 tp . . . . . 0 C--O 1.249 1.054 0 C-N-CA 125.261 1.424 . . . . 0.0 110.787 179.463 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 80' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.731 0 CA-C-O 117.754 -1.117 . . . . 0.0 108.063 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -58.02 117.98 4.92 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 119.353 0.978 . . . . 0.0 111.714 -179.074 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -55.06 -43.04 83.16 Favored Glycine 0 CA--C 1.528 0.845 0 N-CA-C 110.383 -1.087 . . . . 0.0 110.383 177.894 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.0 -21.36 66.09 Favored 'General case' 0 N--CA 1.455 -0.191 0 O-C-N 121.788 -0.831 . . . . 0.0 112.374 179.519 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.16 -47.81 8.18 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 107.583 -1.266 . . . . 0.0 107.583 178.342 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 58.4 mt -57.71 -44.48 85.96 Favored 'General case' 0 N--CA 1.441 -0.925 0 CA-C-O 119.289 -0.386 . . . . 0.0 110.233 -179.325 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -71.53 -8.94 57.13 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 115.568 1.692 . . . . 0.0 115.568 -177.447 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.51 -37.21 72.62 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 119.995 1.271 . . . . 0.0 111.531 -178.47 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.9 m -70.82 -10.58 59.83 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 121.484 -0.76 . . . . 0.0 112.789 179.269 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.5 m -99.47 -34.13 10.39 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 126.607 1.963 . . . . 0.0 110.165 -178.161 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.2 tp -46.52 -30.32 1.25 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 C-N-CA 126.151 1.78 . . . . 0.0 110.773 179.001 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -57.87 -46.69 92.11 Favored Glycine 0 CA--C 1.535 1.324 0 O-C-N 121.514 -0.742 . . . . 0.0 111.514 177.72 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.2 m -83.64 -44.13 14.87 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 117.72 0.76 . . . . 0.0 110.251 -179.758 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -79.67 -12.25 59.82 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 115.057 1.503 . . . . 0.0 115.057 -176.167 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.48 157.6 32.57 Favored Glycine 0 CA--C 1.524 0.637 0 O-C-N 120.904 -1.122 . . . . 0.0 110.996 -179.764 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -32.82 -58.99 0.35 Allowed 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 127.037 2.135 . . . . 0.0 113.658 -178.459 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -110.97 33.96 4.3 Favored 'General case' 0 N--CA 1.444 -0.731 0 C-N-CA 125.801 1.641 . . . . 0.0 111.226 -179.647 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 58.77 28.89 63.69 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 121.63 -0.669 . . . . 0.0 112.953 179.642 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.9 p -91.18 -26.58 18.99 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 126.155 1.782 . . . . 0.0 113.204 -177.462 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.05 128.9 37.17 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 -178.663 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.9 84.61 1.24 Allowed 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 105.917 -1.882 . . . . 0.0 105.917 176.824 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -41.72 128.83 3.35 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 124.974 1.309 . . . . 0.0 114.334 -175.374 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 88.8 mmm 22.66 -76.72 0.0 OUTLIER 'General case' 0 C--N 1.342 0.281 0 C-N-CA 131.483 3.913 . . . . 0.0 115.552 178.821 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -53.68 -34.58 50.52 Favored Glycine 0 CA--C 1.528 0.874 0 N-CA-C 111.766 -0.534 . . . . 0.0 111.766 179.564 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 68.1 m 120.12 57.61 0.0 OUTLIER 'General case' 0 N--CA 1.456 -0.15 1 C-N-CA 132.033 4.133 . . . . 0.0 107.354 179.639 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.29 136.85 53.11 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 119.422 -0.911 . . . . 0.0 112.444 -179.723 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.9 pttp -59.28 139.03 88.54 Favored Pre-proline 0 CA--C 1.545 0.772 0 N-CA-C 103.386 -2.82 . . . . 0.0 103.386 172.005 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_endo -46.37 109.38 0.2 Allowed 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 122.985 2.457 . . . . 0.0 113.575 -174.399 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.6 t -55.61 -26.31 19.58 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 C-N-CA 123.964 0.906 . . . . 0.0 109.05 179.414 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.4 tptt -49.55 88.02 0.0 OUTLIER 'General case' 0 C--N 1.343 0.316 0 C-N-CA 126.455 1.902 . . . . 0.0 112.292 176.854 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 76.18 43.72 20.22 Favored Glycine 0 N--CA 1.444 -0.811 0 CA-C-N 112.636 -2.074 . . . . 0.0 110.403 179.296 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -54.06 -35.02 61.57 Favored 'General case' 0 CA--C 1.551 0.986 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 178.516 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 163.21 -129.21 1.98 Allowed Glycine 0 CA--C 1.531 1.078 1 C-N-CA 130.864 4.078 . . . . 0.0 104.469 176.725 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -155.75 -61.6 0.11 Allowed 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 102.406 -3.183 . . . . 0.0 102.406 173.497 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -56.85 -35.74 69.22 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 106.716 -1.586 . . . . 0.0 106.716 173.746 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.7 tp10 -54.65 -73.53 0.05 OUTLIER 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 125.427 1.491 . . . . 0.0 107.873 177.838 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mp -51.76 -38.4 55.28 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.216 -177.746 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -66.62 -42.24 87.12 Favored 'General case' 0 N--CA 1.447 -0.625 0 CA-C-N 118.127 0.421 . . . . 0.0 110.972 179.63 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -67.82 -41.98 82.19 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 -179.343 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.7 mmtp -65.85 -44.68 84.76 Favored 'General case' 0 N--CA 1.436 -1.174 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 -179.14 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 61.4 mtm -67.18 -37.52 83.85 Favored 'General case' 0 C--O 1.218 -0.569 0 CA-C-O 118.246 -0.883 . . . . 0.0 109.711 177.804 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -58.54 -42.88 88.83 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 106.734 -1.58 . . . . 0.0 106.734 176.704 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.39 -56.42 25.18 Favored Glycine 0 CA--C 1.532 1.104 0 N-CA-C 110.275 -1.13 . . . . 0.0 110.275 176.648 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -61.71 -33.33 73.82 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.869 1.334 . . . . 0.0 112.156 -179.686 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.24 -52.7 42.23 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 124.889 1.275 . . . . 0.0 109.36 -178.838 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.25 -40.04 17.07 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 178.757 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 119.06 26.19 2.56 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 126.218 1.866 . . . . 0.0 112.316 -179.791 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.3 t -100.15 35.51 2.06 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.892 1.277 . . . . 0.0 111.485 -179.672 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -158.75 159.49 35.26 Favored 'General case' 0 C--O 1.231 0.092 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 177.349 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -141.15 -168.09 11.33 Favored Glycine 0 C--N 1.336 0.562 0 CA-C-O 122.117 0.843 . . . . 0.0 113.881 -178.073 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 157.55 179.18 32.26 Favored Glycine 0 N--CA 1.423 -2.218 0 C-N-CA 130.29 3.805 . . . . 0.0 107.09 -177.19 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -53.61 -49.64 67.37 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 124.343 1.057 . . . . 0.0 111.484 179.231 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.9 mmp_? -104.32 28.22 7.09 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.047 0.939 . . . . 0.0 111.414 -178.444 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -46.89 -38.99 11.3 Favored 'General case' 0 N--CA 1.441 -0.886 0 C-N-CA 125.141 1.376 . . . . 0.0 113.8 -179.529 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.4 -50.5 63.23 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 123.482 0.713 . . . . 0.0 110.392 -178.532 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -59.51 -44.29 93.16 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 107.329 -1.36 . . . . 0.0 107.329 178.757 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 33.6 mmm -56.32 -62.82 1.46 Allowed 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.409 178.595 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 53.0 m -44.82 -51.39 9.54 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 125.419 1.487 . . . . 0.0 109.675 177.47 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -58.88 -45.32 90.47 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 122.081 -0.387 . . . . 0.0 111.564 179.793 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.7 -26.44 62.5 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -178.247 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 56.3 t -89.37 -49.41 13.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 C-N-CA 125.623 1.569 . . . . 0.0 113.135 -177.264 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 25.7 tttp -49.73 -29.04 6.91 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.386 1.475 . . . . 0.0 112.96 -177.429 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.0 -25.23 66.99 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 179.309 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -88.82 165.48 14.64 Favored 'General case' 0 N--CA 1.436 -1.159 0 CA-C-O 123.605 1.669 . . . . 0.0 110.989 -178.756 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 89.8 p -100.83 161.43 13.6 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 128.208 2.603 . . . . 0.0 108.548 178.614 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -52.34 -41.66 63.22 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 111.902 0.334 . . . . 0.0 111.902 -179.199 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -59.4 -53.84 53.61 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.346 0.658 . . . . 0.0 109.352 178.877 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -56.8 -46.06 81.8 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 122.897 0.479 . . . . 0.0 109.834 179.073 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 47.9 mt -58.14 -48.52 80.0 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.361 0.664 . . . . 0.0 110.565 178.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.4 ttpp -60.9 -47.26 87.19 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.327 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.92 -43.69 94.74 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 -178.832 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 11.1 mt -56.92 -60.24 3.86 Favored 'General case' 0 N--CA 1.441 -0.918 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 177.877 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -50.01 -48.22 52.61 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 118.211 0.46 . . . . 0.0 111.223 -178.568 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -52.17 -46.83 65.67 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 108.739 -0.838 . . . . 0.0 108.739 177.297 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -63.96 -53.89 43.15 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-O 118.38 -0.819 . . . . 0.0 109.22 177.466 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.5 mpp? -48.89 -32.85 9.61 Favored 'General case' 0 C--N 1.346 0.419 0 CA-C-N 119.637 1.108 . . . . 0.0 112.659 178.415 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.5 t -55.52 -32.7 63.13 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.805 -0.559 . . . . 0.0 111.819 178.66 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.1 ttpp -141.44 67.82 1.34 Allowed 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 123.945 0.898 . . . . 0.0 108.728 179.174 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.251 1.169 0 CA-C-O 117.225 -1.369 . . . . 0.0 111.793 178.47 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 80' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.704 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -58.5 145.19 39.84 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 107.232 -1.395 . . . . 0.0 107.232 176.772 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.8 73.06 0.97 Allowed Glycine 0 N--CA 1.439 -1.155 1 N-CA-C 100.713 -4.955 . . . . 0.0 100.713 -170.281 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 131.2 -50.88 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.4 1 C-N-CA 131.971 4.109 . . . . 0.0 106.476 -174.827 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.25 -26.12 60.99 Favored 'General case' 0 C--N 1.345 0.401 0 C-N-CA 119.493 -0.883 . . . . 0.0 111.13 -178.026 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 17.5 mt -81.12 -34.31 32.62 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 118.8 0.727 . . . . 0.0 110.081 -179.925 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.4 ' CE1' ' SD ' ' A' ' 76' ' ' MET . 1.9 t80 -75.34 -10.87 59.85 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 115.177 1.547 . . . . 0.0 115.177 -177.766 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -49.21 -43.18 42.17 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.378 -0.826 . . . . 0.0 112.745 -179.217 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.4 m -74.68 -5.29 42.35 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 113.542 0.941 . . . . 0.0 113.542 -177.852 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.7 m -101.28 -36.88 8.74 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 126.767 2.027 . . . . 0.0 109.595 -177.26 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -46.3 -31.72 1.44 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 C-N-CA 125.659 1.584 . . . . 0.0 109.516 176.889 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -52.1 -44.31 56.79 Favored Glycine 0 CA--C 1.537 1.408 0 CA-C-O 119.387 -0.674 . . . . 0.0 112.546 177.655 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.6 m -96.48 -44.92 6.97 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 118.344 1.072 . . . . 0.0 110.526 179.547 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -74.86 -17.39 60.6 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 114.193 1.183 . . . . 0.0 114.193 -175.726 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.13 159.78 34.28 Favored Glycine 0 CA--C 1.529 0.917 0 N-CA-C 110.518 -1.033 . . . . 0.0 110.518 -179.302 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -32.89 -58.45 0.36 Allowed 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 127.027 2.131 . . . . 0.0 113.873 -178.311 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.9 p-10 -110.73 43.57 1.4 Allowed 'General case' 0 N--CA 1.437 -1.113 0 C-N-CA 127.27 2.228 . . . . 0.0 109.59 -179.151 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 37.67 29.89 0.05 OUTLIER Glycine 0 CA--C 1.535 1.299 0 C-N-CA 127.177 2.322 . . . . 0.0 115.622 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.1 p -79.36 -31.35 42.91 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 126.442 1.897 . . . . 0.0 113.305 -178.454 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -71.65 129.9 39.84 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 121.734 0.778 . . . . 0.0 110.094 -178.457 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.52 83.79 0.42 Allowed 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 106.04 -1.837 . . . . 0.0 106.04 176.158 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -43.25 140.35 1.59 Allowed 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 126.264 1.826 . . . . 0.0 115.679 -176.859 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 11.1 tpt 29.49 -89.63 0.0 OUTLIER 'General case' 0 C--N 1.339 0.137 0 C-N-CA 129.066 2.946 . . . . 0.0 113.574 178.573 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.61 42.38 1.75 Allowed Glycine 0 CA--C 1.528 0.902 0 CA-C-N 118.708 0.685 . . . . 0.0 112.361 -179.757 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.9 m 51.65 57.95 6.01 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 125.295 1.438 . . . . 0.0 109.774 -178.868 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.38 151.65 9.73 Favored 'General case' 0 N--CA 1.442 -0.858 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 -178.545 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm -56.01 124.75 60.61 Favored Pre-proline 0 CA--C 1.537 0.462 0 N-CA-C 102.722 -3.066 . . . . 0.0 102.722 172.445 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_endo -47.75 115.66 1.54 Allowed 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 121.946 1.764 . . . . 0.0 110.158 -176.707 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 71.8 t -59.6 -40.87 83.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 N-CA-C 107.173 -1.417 . . . . 0.0 107.173 -178.228 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.4 tmtm? -58.09 101.66 0.08 Allowed 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 121.784 0.802 . . . . 0.0 109.679 172.33 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 122.47 -17.75 8.33 Favored Glycine 0 N--CA 1.45 -0.411 0 CA-C-N 113.759 -1.564 . . . . 0.0 111.625 178.786 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -66.13 142.7 57.67 Favored 'General case' 0 N--CA 1.44 -0.953 0 N-CA-C 106.481 -1.674 . . . . 0.0 106.481 178.216 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -82.46 141.96 21.64 Favored Glycine 0 CA--C 1.525 0.715 0 CA-C-O 119.061 -0.855 . . . . 0.0 112.741 -176.076 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -43.94 -55.55 4.53 Favored 'General case' 0 CA--C 1.518 -0.287 0 C-N-CA 126.354 1.862 . . . . 0.0 111.403 -179.113 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -53.85 -48.78 69.64 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 -179.453 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -58.88 -54.94 41.46 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 123.654 0.781 . . . . 0.0 109.861 -179.312 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 24.5 mt -51.6 -48.71 63.11 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 125.152 1.381 . . . . 0.0 110.22 179.693 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.79 -53.26 58.32 Favored 'General case' 0 C--O 1.223 -0.309 0 C-N-CA 124.235 1.014 . . . . 0.0 110.177 -179.397 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -54.31 -53.07 58.79 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 124.979 1.312 . . . . 0.0 109.926 -178.265 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -58.47 -49.76 76.16 Favored 'General case' 0 N--CA 1.435 -1.179 0 C-N-CA 125.471 1.508 . . . . 0.0 109.505 179.188 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 56.7 mtm -61.72 -38.39 87.72 Favored 'General case' 0 C--O 1.219 -0.528 0 CA-C-O 118.307 -0.854 . . . . 0.0 110.364 178.281 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.1 tptp -60.01 -42.32 94.06 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 107.328 -1.36 . . . . 0.0 107.328 178.55 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -56.36 -55.09 31.38 Favored Glycine 0 CA--C 1.527 0.837 0 N-CA-C 110.592 -1.003 . . . . 0.0 110.592 177.086 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.425 ' CE1' ' CD2' ' A' ' 49' ' ' TYR . 19.8 m-85 -61.31 -45.73 93.24 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 118.419 1.109 . . . . 0.0 109.998 179.759 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.08 -45.47 61.45 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 125.88 1.672 . . . . 0.0 109.566 179.658 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -89.91 3.53 52.77 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.518 0.727 . . . . 0.0 112.288 -178.331 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 60.1 27.87 65.62 Favored Glycine 0 CA--C 1.535 1.286 0 CA-C-N 119.123 0.874 . . . . 0.0 111.548 -177.888 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.7 t -107.25 20.04 19.51 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.724 1.61 . . . . 0.0 111.006 -179.509 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.425 ' CD2' ' CE1' ' A' ' 44' ' ' TYR . 7.8 t80 -163.85 151.45 12.56 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 103.859 -2.645 . . . . 0.0 103.859 179.196 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 160.6 -173.27 37.12 Favored Glycine 0 CA--C 1.522 0.503 0 CA-C-N 119.227 0.921 . . . . 0.0 111.577 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 169.62 -177.78 42.97 Favored Glycine 0 N--CA 1.424 -2.142 0 C-N-CA 130.454 3.883 . . . . 0.0 106.239 -179.543 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -52.91 -57.58 9.79 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 123.668 0.787 . . . . 0.0 111.237 -178.303 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.2 -43.47 98.75 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-O 121.453 0.644 . . . . 0.0 109.792 -177.584 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.88 -7.79 9.16 Favored 'General case' 0 N--CA 1.425 -1.722 0 C-N-CA 124.652 1.181 . . . . 0.0 113.097 -179.275 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.87 -43.41 94.71 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 120.321 1.419 . . . . 0.0 108.29 176.941 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 65.0 mtt -60.64 -46.79 88.97 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 178.492 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 43.3 mmm -54.85 -58.73 6.42 Favored 'General case' 0 C--O 1.223 -0.303 0 C-N-CA 123.182 0.593 . . . . 0.0 109.85 178.402 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 41.2 m -46.09 -48.25 17.1 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 125.079 1.352 . . . . 0.0 109.534 177.744 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.53 -42.74 99.72 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 118.082 0.401 . . . . 0.0 110.65 178.831 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.75 -27.57 66.03 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.42 1.088 . . . . 0.0 112.604 -179.498 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 60.3 t -92.54 -42.98 13.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 125.947 1.699 . . . . 0.0 113.737 -175.967 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 55.0 mttm -55.37 -27.6 48.48 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 119.61 1.095 . . . . 0.0 113.056 -178.144 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.6 ptpp? -69.73 -13.48 62.31 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 178.104 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -103.17 -173.89 2.42 Favored 'General case' 0 N--CA 1.441 -0.892 0 C-N-CA 125.936 1.694 . . . . 0.0 107.995 178.728 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 28.9 t -156.44 166.31 33.78 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 126.205 1.802 . . . . 0.0 107.749 -178.565 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -29.43 -52.82 0.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 127.313 2.245 . . . . 0.0 114.701 -176.549 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -62.17 -52.02 65.48 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 121.603 0.716 . . . . 0.0 110.88 -178.65 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 33.9 mp0 -63.47 -43.44 97.3 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 123.679 0.792 . . . . 0.0 109.371 -179.777 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 87.5 mt -59.88 -46.6 88.8 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.137 0.575 . . . . 0.0 109.685 179.083 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.6 ttpp -58.41 -49.75 76.16 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 177.755 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.87 -45.73 82.3 Favored 'General case' 0 C--N 1.341 0.2 0 C-N-CA 123.431 0.693 . . . . 0.0 109.587 -179.866 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 16.4 mt -61.49 -49.4 76.93 Favored 'General case' 0 N--CA 1.443 -0.818 0 O-C-N 121.964 -0.46 . . . . 0.0 111.416 179.542 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.22 -41.68 93.57 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 -179.653 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -56.43 -45.92 80.52 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 177.408 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -60.69 -61.44 2.58 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 178.112 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.4 ' SD ' ' CE1' ' A' ' 7' ' ' TYR . 56.0 mtm -48.7 -41.95 33.36 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 178.97 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.1 t -65.32 -13.42 58.45 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 117.629 -1.177 . . . . 0.0 113.174 -178.649 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 37.4 mtmm -90.75 -3.71 57.24 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 119.729 1.149 . . . . 0.0 111.017 177.67 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.9 mp . . . . . 0 C--O 1.252 1.207 0 CA-C-O 117.202 -1.38 . . . . 0.0 109.236 176.875 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 80' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.7 0 CA-C-O 118.183 -0.913 . . . . 0.0 109.073 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -57.59 128.09 35.31 Favored 'General case' 0 C--O 1.226 -0.175 0 C-N-CA 123.552 0.741 . . . . 0.0 111.452 -179.007 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -51.28 -39.38 43.0 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 109.061 -1.615 . . . . 0.0 109.061 176.177 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.8 -22.5 24.97 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 117.577 -1.202 . . . . 0.0 113.376 179.244 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -95.2 -14.92 23.66 Favored 'General case' 0 C--N 1.345 0.408 0 CA-C-N 120.613 1.551 . . . . 0.0 109.946 -178.146 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.43 -40.62 11.93 Favored 'General case' 0 N--CA 1.428 -1.559 0 C-N-CA 125.117 1.367 . . . . 0.0 107.613 -178.342 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -67.84 -12.99 61.76 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 -179.765 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -49.95 -47.06 52.77 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 119.723 1.147 . . . . 0.0 112.833 -179.629 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.0 p -65.25 -24.07 67.23 Favored 'General case' 0 CA--C 1.533 0.31 0 O-C-N 121.546 -0.721 . . . . 0.0 112.662 -179.586 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.2 m -85.22 -37.82 19.65 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 126.68 1.992 . . . . 0.0 109.702 -176.26 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -45.97 -31.43 1.24 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 C-N-CA 126.463 1.905 . . . . 0.0 110.736 179.32 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -58.02 -42.45 94.97 Favored Glycine 0 CA--C 1.535 1.34 0 O-C-N 121.114 -0.991 . . . . 0.0 112.292 178.163 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.5 t -93.11 -44.72 8.23 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 123.831 0.852 . . . . 0.0 110.044 -179.392 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 -73.96 -9.31 58.51 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.435 1.094 . . . . 0.0 112.937 -178.951 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 71.85 179.67 32.92 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 111.423 -0.671 . . . . 0.0 111.423 179.75 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.35 99.24 0.04 OUTLIER 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 114.426 -0.887 . . . . 0.0 110.122 179.944 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 59.56 62.56 1.72 Allowed 'General case' 0 N--CA 1.437 -1.102 0 C-N-CA 126.609 1.964 . . . . 0.0 110.695 175.873 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 57.5 19.14 32.91 Favored Glycine 0 C--N 1.339 0.699 0 C-N-CA 125.925 1.726 . . . . 0.0 116.724 176.327 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.7 m -80.43 -26.77 38.22 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 118.431 1.115 . . . . 0.0 113.712 -178.471 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -91.37 135.99 33.42 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-N 119.272 0.942 . . . . 0.0 110.377 -178.098 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.5 80.67 2.53 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.835 179.937 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -26.28 118.46 0.07 Allowed 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 128.135 2.574 . . . . 0.0 112.886 179.031 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 20.8 mmt 14.54 -71.38 0.0 OUTLIER 'General case' 0 C--N 1.349 0.562 0 C-N-CA 131.022 3.729 . . . . 0.0 114.503 -178.165 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.08 41.3 1.08 Allowed Glycine 0 CA--C 1.533 1.157 0 CA-C-N 118.892 0.769 . . . . 0.0 111.949 177.706 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 31.2 m 49.63 52.72 14.02 Favored 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 127.099 2.16 . . . . 0.0 111.416 179.467 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.65 135.88 54.91 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 117.778 -1.569 . . . . 0.0 112.231 179.436 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -59.94 118.09 29.3 Favored Pre-proline 0 C--O 1.236 0.344 0 N-CA-C 101.819 -3.4 . . . . 0.0 101.819 173.527 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_exo -31.55 118.29 0.07 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.812 0 C-N-CA 124.123 3.215 . . . . 0.0 112.702 -174.783 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.2 t -59.71 -33.29 51.64 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 N-CA-C 106.171 -1.788 . . . . 0.0 106.171 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 43.8 tttp -61.08 99.92 0.11 Allowed 'General case' 0 N--CA 1.448 -0.549 0 CA-C-O 121.68 0.753 . . . . 0.0 109.899 173.995 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 123.84 -16.26 7.83 Favored Glycine 0 CA--C 1.522 0.491 0 CA-C-N 114.008 -1.451 . . . . 0.0 111.601 178.945 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -67.57 149.04 50.64 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 178.763 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -85.63 146.18 21.4 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 121.208 -0.933 . . . . 0.0 114.516 -175.808 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -49.1 -49.46 41.68 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 118.933 1.366 . . . . 0.0 111.955 -179.347 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -55.9 -48.24 76.01 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 179.734 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -56.37 -64.5 0.84 Allowed 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 124.741 1.216 . . . . 0.0 108.13 179.071 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.3 mt -49.36 -43.38 43.92 Favored 'General case' 0 N--CA 1.444 -0.73 0 C-N-CA 125.736 1.614 . . . . 0.0 112.171 -178.848 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -71.99 -42.11 66.84 Favored 'General case' 0 N--CA 1.445 -0.688 0 O-C-N 121.844 -0.535 . . . . 0.0 110.413 -178.608 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.7 tttp -62.64 -41.28 98.95 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 179.771 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.0 mmtp -67.81 -49.03 64.53 Favored 'General case' 0 N--CA 1.434 -1.228 0 C-N-CA 123.082 0.553 . . . . 0.0 110.231 -178.421 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 69.2 mtm -65.53 -37.29 86.31 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.721 179.44 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -59.47 -45.68 90.96 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 105.971 -1.863 . . . . 0.0 105.971 176.251 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -53.6 -56.63 19.17 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 110.646 -0.982 . . . . 0.0 110.646 177.339 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -62.12 -46.17 90.24 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 118.852 1.326 . . . . 0.0 110.672 -179.614 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.02 -46.05 52.54 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.995 1.318 . . . . 0.0 109.299 179.244 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -92.13 10.3 29.89 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.45 1.1 . . . . 0.0 112.628 -179.259 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 52.6 36.2 47.43 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 124.55 1.072 . . . . 0.0 113.32 -179.796 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 21.9 t -123.21 33.93 5.25 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.74 1.616 . . . . 0.0 112.286 -178.26 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -160.07 163.01 34.25 Favored 'General case' 0 C--O 1.231 0.082 0 N-CA-C 107.429 -1.323 . . . . 0.0 107.429 178.756 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -148.3 -176.59 21.89 Favored Glycine 0 C--N 1.337 0.601 0 CA-C-O 121.792 0.662 . . . . 0.0 113.924 -178.693 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 170.83 177.14 40.58 Favored Glycine 0 N--CA 1.426 -1.972 1 C-N-CA 131.044 4.164 . . . . 0.0 107.489 -177.904 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -45.82 -41.4 11.02 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 126.185 1.794 . . . . 0.0 113.148 179.878 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 86.7 mmt-85 -121.11 34.78 5.09 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 118.424 0.556 . . . . 0.0 111.079 -178.729 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -47.6 -40.99 20.81 Favored 'General case' 0 N--CA 1.441 -0.879 0 C-N-CA 125.519 1.528 . . . . 0.0 114.318 -179.577 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.87 -53.96 46.18 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 122.908 0.483 . . . . 0.0 109.824 -178.81 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -57.68 -46.38 84.38 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 178.928 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 17.1 mmm -55.73 -51.49 67.15 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 123.55 0.74 . . . . 0.0 111.592 179.428 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 82.4 m -56.63 -51.0 70.37 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 179.008 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.46 -35.6 70.36 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 178.476 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.86 -50.45 64.49 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 123.457 0.703 . . . . 0.0 111.142 -179.442 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.3 m -81.5 -27.49 10.19 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 C-N-CA 119.346 -0.941 . . . . 0.0 112.403 -176.153 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -70.24 77.89 0.53 Allowed 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 122.923 1.344 . . . . 0.0 111.761 -178.526 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.1 pttt -168.44 -35.57 0.02 OUTLIER 'General case' 0 N--CA 1.445 -0.718 1 C-N-CA 132.696 4.399 . . . . 0.0 106.655 177.692 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -78.51 -174.66 3.93 Favored 'General case' 0 N--CA 1.435 -1.205 0 CA-C-O 123.176 1.465 . . . . 0.0 109.037 177.205 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 28.6 t -154.27 169.59 23.3 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 128.515 2.726 . . . . 0.0 106.287 -178.5 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -36.31 -52.18 0.81 Allowed 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 125.563 1.545 . . . . 0.0 114.256 -176.651 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -61.74 -53.71 52.39 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 121.166 0.508 . . . . 0.0 110.51 -178.36 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -59.28 -43.74 92.52 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.391 0.676 . . . . 0.0 109.721 179.961 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 48.6 mt -61.19 -47.29 86.84 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.812 0.845 . . . . 0.0 110.212 179.434 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -62.25 -41.06 98.11 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 179.047 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.1 -46.38 84.49 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.746 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.3 mt -54.64 -58.64 6.71 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 177.797 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.07 -39.94 69.8 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 118.851 -0.595 . . . . 0.0 110.352 -177.841 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -58.39 -50.12 74.83 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 177.463 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -57.83 -59.59 5.01 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 178.679 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.2 mtp -51.87 -38.39 55.89 Favored 'General case' 0 CA--C 1.539 0.558 0 O-C-N 121.567 -0.708 . . . . 0.0 112.776 178.282 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.8 t -73.91 -9.5 58.7 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 120.812 -1.18 . . . . 0.0 112.711 179.556 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 24.1 ttpp -94.15 -5.26 47.53 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 177.827 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 91.9 mt . . . . . 0 C--O 1.25 1.107 0 CA-C-O 117.124 -1.417 . . . . 0.0 109.581 178.084 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 80' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.714 0 N-CA-C 105.969 -1.863 . . . . 0.0 105.969 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 54.77 53.95 9.82 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-O 121.87 0.843 . . . . 0.0 112.717 172.136 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -50.88 -50.83 36.55 Favored Glycine 0 CA--C 1.526 0.768 0 CA-C-N 115.337 -0.847 . . . . 0.0 112.005 -179.098 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.0 -19.87 63.3 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.717 -0.872 . . . . 0.0 112.986 -179.423 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.81 -49.3 6.91 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 178.608 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 89.4 mt -58.51 -44.68 89.58 Favored 'General case' 0 N--CA 1.439 -0.977 0 CA-C-O 119.245 -0.407 . . . . 0.0 110.384 -179.395 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -63.94 -13.82 48.82 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 118.445 -1.302 . . . . 0.0 114.41 -177.912 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -59.32 -31.79 69.48 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 119.804 1.184 . . . . 0.0 110.185 177.915 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.2 m -75.45 -3.13 32.12 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.69 -0.631 . . . . 0.0 112.689 179.094 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.4 m -111.77 -35.46 5.73 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 126.77 2.028 . . . . 0.0 111.162 -176.899 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.8 tp -41.56 -34.51 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 C-N-CA 126.44 1.896 . . . . 0.0 112.523 -179.269 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -50.21 -46.09 43.47 Favored Glycine 0 CA--C 1.533 1.171 0 C-N-CA 123.725 0.679 . . . . 0.0 112.816 179.242 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 10.6 m -85.79 -43.94 12.91 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 118.104 0.952 . . . . 0.0 110.674 -179.5 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 69.6 m-70 -74.32 -10.91 60.06 Favored 'General case' 0 N--CA 1.434 -1.25 0 C-N-CA 126.621 1.968 . . . . 0.0 115.768 -176.121 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.15 147.49 3.94 Favored Glycine 0 CA--C 1.527 0.806 0 N-CA-C 109.662 -1.375 . . . . 0.0 109.662 -179.045 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.67 64.25 4.48 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 106.648 -1.612 . . . . 0.0 106.648 176.632 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.6 p30 179.17 -21.38 0.0 OUTLIER 'General case' 0 N--CA 1.435 -1.208 0 C-N-CA 129.915 3.286 . . . . 0.0 112.241 -174.567 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 69.12 -1.05 12.29 Favored Glycine 0 C--N 1.339 0.75 0 CA-C-N 120.3 1.409 . . . . 0.0 115.521 179.305 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.9 p -89.63 -27.43 20.18 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 123.98 0.912 . . . . 0.0 109.386 179.552 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.0 tttm -58.85 115.82 3.35 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 178.195 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.08 83.39 0.22 Allowed 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 -179.771 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -36.23 128.65 0.73 Allowed 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 126.321 1.848 . . . . 0.0 114.598 -177.181 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 26.4 mmt 24.38 -82.03 0.0 OUTLIER 'General case' 0 C--N 1.343 0.295 0 C-N-CA 130.197 3.399 . . . . 0.0 113.154 179.073 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.95 46.37 2.08 Favored Glycine 0 CA--C 1.532 1.096 0 N-CA-C 111.835 -0.506 . . . . 0.0 111.835 178.749 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.4 m 49.02 54.95 10.05 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 126.419 1.888 . . . . 0.0 111.43 178.207 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.12 146.74 37.65 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 -178.604 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.2 mtmm -60.37 127.26 86.2 Favored Pre-proline 0 CA--C 1.537 0.468 0 N-CA-C 103.737 -2.69 . . . . 0.0 103.737 173.938 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo -46.51 108.34 0.15 Allowed 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 123.167 2.578 . . . . 0.0 110.268 -176.757 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.1 t -57.54 -38.73 65.32 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 C-N-CA 123.956 0.902 . . . . 0.0 109.149 -177.118 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.1 ttmm -38.97 100.29 0.02 OUTLIER 'General case' 0 C--N 1.342 0.251 0 CA-C-O 122.896 1.331 . . . . 0.0 113.821 179.869 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 59.21 45.64 95.05 Favored Glycine 0 N--CA 1.444 -0.78 0 CA-C-N 112.463 -2.153 . . . . 0.0 110.139 177.664 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -55.34 -44.44 75.9 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 -178.919 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -172.83 -107.27 0.2 Allowed Glycine 0 CA--C 1.531 1.039 0 C-N-CA 128.008 2.718 . . . . 0.0 106.335 174.648 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 174.7 -56.8 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 130.874 3.669 . . . . 0.0 101.946 176.851 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -64.24 -42.21 96.64 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 105.682 -1.97 . . . . 0.0 105.682 173.075 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -57.97 -64.2 0.99 Allowed 'General case' 0 C--N 1.343 0.319 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 177.759 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 24.3 mt -45.76 -48.83 15.38 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 125.213 1.405 . . . . 0.0 110.626 179.008 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -61.37 -55.23 33.87 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 123.959 0.903 . . . . 0.0 111.378 179.668 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -56.55 -42.17 78.08 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.139 0.575 . . . . 0.0 110.007 -179.244 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 57.5 mmtt -64.56 -55.33 21.16 Favored 'General case' 0 N--CA 1.438 -1.055 0 C-N-CA 123.637 0.775 . . . . 0.0 110.176 -178.736 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.52 -39.91 89.56 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 -179.444 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -60.55 -43.6 97.05 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 178.058 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -51.84 -46.66 54.69 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 109.619 -1.392 . . . . 0.0 109.619 176.629 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -69.57 -40.49 76.72 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 118.11 0.955 . . . . 0.0 109.977 177.995 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.09 -52.99 59.24 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 124.568 1.147 . . . . 0.0 110.621 -179.703 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -81.33 -26.68 35.42 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.191 0.597 . . . . 0.0 110.942 179.651 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.45 5.89 55.42 Favored Glycine 0 CA--C 1.53 1.016 0 C-N-CA 124.629 1.109 . . . . 0.0 113.958 178.21 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.2 t -84.9 28.38 0.69 Allowed 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 119.206 1.503 . . . . 0.0 111.492 -179.853 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -169.37 147.72 3.72 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 105.03 -2.211 . . . . 0.0 105.03 -179.747 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 157.0 -173.19 34.62 Favored Glycine 0 C--N 1.334 0.463 0 CA-C-N 119.0 0.818 . . . . 0.0 111.319 -179.45 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 167.96 176.93 38.89 Favored Glycine 0 N--CA 1.425 -2.055 0 C-N-CA 130.084 3.707 . . . . 0.0 106.642 179.1 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -49.29 -55.64 12.07 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 123.833 0.853 . . . . 0.0 111.531 -178.293 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.8 ptt85 -64.89 -23.05 67.11 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 122.095 -0.378 . . . . 0.0 111.68 -178.429 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.7 mtmt -95.6 8.26 43.88 Favored 'General case' 0 N--CA 1.434 -1.251 0 C-N-CA 124.943 1.297 . . . . 0.0 110.523 179.651 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.13 -47.2 65.72 Favored 'General case' 0 C--O 1.233 0.21 0 O-C-N 120.81 -1.181 . . . . 0.0 108.117 178.062 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.6 mpp? -57.67 -44.55 85.83 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.981 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 31.3 mmm -52.99 -64.11 0.93 Allowed 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 124.066 0.946 . . . . 0.0 109.134 177.801 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 90.4 m -44.28 -50.58 8.89 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.819 1.248 . . . . 0.0 109.856 178.015 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -61.01 -43.89 98.22 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 119.48 -0.295 . . . . 0.0 111.696 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.09 -41.5 86.2 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-O 121.694 0.759 . . . . 0.0 110.971 -178.747 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 66.2 t -71.49 -38.35 67.75 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.631 0 C-N-CA 126.153 1.781 . . . . 0.0 113.16 -177.571 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.0 tppt? -45.39 -34.64 3.17 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -176.428 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 25.7 pttm -74.02 -15.46 61.09 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 -178.235 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -84.37 176.1 8.92 Favored 'General case' 0 N--CA 1.44 -0.969 0 CA-C-O 123.607 1.67 . . . . 0.0 111.397 -178.925 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.2 t -137.56 167.76 21.02 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 128.009 2.524 . . . . 0.0 107.815 178.557 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -40.4 -51.88 2.79 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 126.254 1.822 . . . . 0.0 113.197 -177.406 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -60.19 -47.88 84.07 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-O 121.377 0.608 . . . . 0.0 110.606 -179.042 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -63.79 -45.63 88.87 Favored 'General case' 0 N--CA 1.445 -0.695 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 -178.574 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 47.6 mt -58.85 -50.75 72.84 Favored 'General case' 0 N--CA 1.457 -0.096 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 177.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -57.87 -43.2 85.84 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 123.056 0.543 . . . . 0.0 110.001 -179.819 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.78 -47.12 76.24 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 -179.742 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 11.9 mt -58.89 -49.35 78.1 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 179.727 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.49 -49.34 77.95 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 -179.412 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -51.7 -45.54 63.56 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 176.457 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -62.86 -58.99 5.5 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 178.208 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 68.0 mtm -48.21 -30.39 4.65 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 118.911 0.778 . . . . 0.0 112.691 177.551 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.9 t -54.85 -36.58 65.22 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.17 -0.956 . . . . 0.0 109.802 177.457 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -122.37 45.71 2.3 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 127.548 2.339 . . . . 0.0 108.475 179.455 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.105 0 C-N-CA 126.231 1.812 . . . . 0.0 111.26 -178.885 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 80' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.683 0 N-CA-C 106.654 -1.61 . . . . 0.0 106.654 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -58.9 146.44 37.63 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 106.616 -1.624 . . . . 0.0 106.616 176.529 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 75.33 81.43 0.51 Allowed Glycine 0 N--CA 1.441 -1.006 1 N-CA-C 101.472 -4.651 . . . . 0.0 101.472 -171.308 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 119.66 -31.67 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 130.256 3.422 . . . . 0.0 107.517 -174.414 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.63 -19.8 23.26 Favored 'General case' 0 C--N 1.346 0.431 0 C-N-CA 118.753 -1.179 . . . . 0.0 110.352 -177.805 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 16.1 mt -88.68 -21.87 23.69 Favored 'General case' 0 N--CA 1.434 -1.269 0 C-N-CA 118.869 -1.132 . . . . 0.0 108.218 -177.631 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -84.97 -9.21 58.29 Favored 'General case' 0 C--N 1.346 0.431 0 N-CA-C 114.922 1.452 . . . . 0.0 114.922 -178.055 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -51.3 -48.4 62.31 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 119.463 1.028 . . . . 0.0 112.44 -178.253 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.8 m -76.33 27.49 0.12 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.696 1.198 . . . . 0.0 113.267 -178.29 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.0 m -130.5 -36.31 1.45 Allowed 'General case' 0 C--O 1.235 0.322 0 C-N-CA 126.196 1.799 . . . . 0.0 108.931 -177.947 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 23.6 mm -45.46 -33.7 1.38 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 C-N-CA 126.445 1.898 . . . . 0.0 110.607 178.017 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -52.64 -45.19 60.18 Favored Glycine 0 CA--C 1.535 1.341 0 CA-C-N 118.539 0.608 . . . . 0.0 112.191 178.269 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 11.8 m -90.59 -43.29 10.28 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 117.779 0.789 . . . . 0.0 111.233 -179.473 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 60.8 m-70 -80.6 -32.41 36.43 Favored 'General case' 0 N--CA 1.436 -1.167 0 N-CA-C 116.618 2.081 . . . . 0.0 116.618 -174.392 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 94.48 158.93 33.59 Favored Glycine 0 CA--C 1.528 0.866 0 N-CA-C 109.421 -1.471 . . . . 0.0 109.421 -177.47 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.74 -43.19 12.74 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 125.089 1.356 . . . . 0.0 113.463 -178.091 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.8 p-10 -109.54 26.45 10.63 Favored 'General case' 0 N--CA 1.435 -1.22 0 C-N-CA 127.903 2.481 . . . . 0.0 110.739 -178.634 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 44.14 40.89 6.01 Favored Glycine 0 CA--C 1.528 0.874 0 C-N-CA 124.937 1.256 . . . . 0.0 114.191 179.078 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.1 p -91.08 -32.08 16.01 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 125.217 1.407 . . . . 0.0 112.353 -178.51 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -64.53 121.72 15.09 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 -178.242 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.99 82.08 1.72 Allowed 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 106.464 -1.68 . . . . 0.0 106.464 177.631 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.76 145.93 4.85 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 125.203 1.401 . . . . 0.0 114.68 -176.425 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 13.6 mmt 27.8 -89.34 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 129.634 3.174 . . . . 0.0 114.43 179.154 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.37 -33.76 53.55 Favored Glycine 0 CA--C 1.526 0.767 0 C-N-CA 123.547 0.594 . . . . 0.0 113.272 -178.525 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 41.5 t 122.16 60.2 0.0 OUTLIER 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 130.758 3.623 . . . . 0.0 105.251 -178.642 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.58 134.45 24.23 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 -177.435 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.6 mtmm -60.11 121.12 56.7 Favored Pre-proline 0 N--CA 1.451 -0.41 0 N-CA-C 102.811 -3.033 . . . . 0.0 102.811 174.334 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -31.68 103.14 0.03 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 124.387 3.391 . . . . 0.0 113.039 -177.356 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.4 t -53.98 -34.3 25.8 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 -179.326 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.8 tmtm? -37.17 90.59 0.0 OUTLIER 'General case' 0 CA--C 1.52 -0.178 0 C-N-CA 127.907 2.483 . . . . 0.0 114.547 175.289 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 65.19 44.31 94.1 Favored Glycine 0 N--CA 1.444 -0.795 0 CA-C-N 111.932 -2.395 . . . . 0.0 110.476 177.551 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -52.51 -43.2 64.94 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 179.408 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.4 -118.94 0.56 Allowed Glycine 0 CA--C 1.531 1.08 0 C-N-CA 128.437 2.922 . . . . 0.0 105.906 173.702 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -167.26 -58.75 0.03 OUTLIER 'General case' 0 C--O 1.222 -0.369 0 C-N-CA 129.518 3.127 . . . . 0.0 102.563 174.831 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -42.45 99.25 Favored 'General case' 0 N--CA 1.422 -1.853 0 C-N-CA 125.995 1.718 . . . . 0.0 106.584 173.229 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -56.36 -65.26 0.64 Allowed 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 125.784 1.634 . . . . 0.0 108.447 177.786 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.1 mt -48.84 -48.24 41.93 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.338 1.455 . . . . 0.0 110.982 178.463 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -61.94 -48.96 78.08 Favored 'General case' 0 C--O 1.225 -0.207 0 C-N-CA 124.857 1.263 . . . . 0.0 111.293 -179.649 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.9 ttpp -60.5 -42.5 96.48 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 179.369 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 25.3 mttp -61.71 -52.18 65.35 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 123.264 0.626 . . . . 0.0 109.957 -179.665 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 70.5 mtm -65.52 -37.73 87.62 Favored 'General case' 0 C--O 1.219 -0.552 0 CA-C-O 118.091 -0.957 . . . . 0.0 111.197 179.328 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -60.27 -44.21 95.52 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 106.885 -1.524 . . . . 0.0 106.885 177.637 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -53.24 -56.43 19.37 Favored Glycine 0 CA--C 1.528 0.873 0 N-CA-C 109.586 -1.406 . . . . 0.0 109.586 176.838 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -62.56 -43.14 99.54 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 118.478 1.139 . . . . 0.0 111.252 179.538 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.78 -46.35 59.56 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 125.535 1.534 . . . . 0.0 109.029 -179.824 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -88.82 7.08 35.97 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.879 1.272 . . . . 0.0 112.665 -179.442 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 56.96 39.24 88.79 Favored Glycine 0 CA--C 1.531 1.043 0 CA-C-N 119.258 0.935 . . . . 0.0 112.04 -179.835 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.4 t -131.33 42.15 3.24 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.258 1.423 . . . . 0.0 110.838 -178.487 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -160.93 161.2 31.62 Favored 'General case' 0 C--O 1.231 0.13 0 N-CA-C 106.952 -1.499 . . . . 0.0 106.952 177.258 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -136.36 -176.92 14.62 Favored Glycine 0 C--N 1.337 0.628 0 CA-C-O 121.908 0.727 . . . . 0.0 113.713 -177.776 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 169.01 176.54 39.16 Favored Glycine 0 N--CA 1.425 -2.038 0 C-N-CA 129.906 3.622 . . . . 0.0 107.081 -177.771 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -68.5 -30.17 68.94 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 124.076 0.951 . . . . 0.0 110.965 -179.359 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.7 tpp180 -127.47 37.62 4.2 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 121.949 0.88 . . . . 0.0 108.986 178.414 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -52.1 -32.21 34.18 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 125.363 1.465 . . . . 0.0 112.368 179.189 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.71 -56.3 21.18 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 123.192 0.597 . . . . 0.0 110.542 -179.122 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 26.2 mmt -57.59 -47.9 80.85 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 179.121 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.1 mmm -54.27 -52.18 62.22 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.557 179.67 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 70.0 m -56.08 -50.97 69.52 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 179.557 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -56.45 -39.71 73.61 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 118.164 0.438 . . . . 0.0 110.149 178.89 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.83 -44.82 88.59 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 123.255 0.622 . . . . 0.0 112.595 -179.162 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.5 m -89.75 -31.94 5.46 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 CA-C-N 119.551 1.069 . . . . 0.0 113.516 -176.505 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 36.8 tttp -54.86 -26.85 38.21 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 118.983 0.81 . . . . 0.0 113.109 -175.39 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 47.6 pttt -68.21 -16.02 63.81 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 117.966 0.348 . . . . 0.0 111.703 178.567 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -93.11 -166.38 1.52 Allowed 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 125.289 1.436 . . . . 0.0 109.089 178.609 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 56.7 m -148.56 153.77 38.84 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 126.508 1.923 . . . . 0.0 108.909 179.572 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -29.47 -53.37 0.13 Allowed 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 126.966 2.106 . . . . 0.0 115.318 -176.871 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -62.58 -46.41 88.45 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 121.639 0.733 . . . . 0.0 110.37 -178.734 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -60.52 -44.7 95.75 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 107.629 -1.248 . . . . 0.0 107.629 178.248 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 80.7 mt -56.63 -43.87 80.68 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 118.08 0.4 . . . . 0.0 110.033 178.299 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -60.66 -44.44 96.44 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 122.199 -0.313 . . . . 0.0 110.26 179.124 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.15 -46.4 81.06 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 122.139 0.971 . . . . 0.0 109.575 -179.28 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 30.7 tp -59.5 -47.59 84.93 Favored 'General case' 0 N--CA 1.435 -1.216 0 C-N-CA 124.651 1.18 . . . . 0.0 110.737 -179.084 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.04 -48.04 75.27 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.81 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -51.7 -42.63 62.35 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 176.87 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -62.19 -55.74 25.55 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 177.465 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 47.8 mtm -48.55 -37.08 16.86 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 118.428 0.558 . . . . 0.0 111.597 178.235 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.5 t -55.68 -31.3 62.3 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.331 -0.856 . . . . 0.0 111.862 178.44 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 41.0 mmtm -91.85 10.78 27.25 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.033 0.933 . . . . 0.0 112.992 -178.682 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 78.5 mt . . . . . 0 C--O 1.253 1.261 0 CA-C-O 117.7 -1.143 . . . . 0.0 110.245 178.605 . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 80' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.651 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -69.46 109.49 4.25 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 119.626 1.103 . . . . 0.0 110.631 -179.523 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.7 -36.51 79.23 Favored Glycine 0 N--CA 1.448 -0.511 0 CA-C-O 119.078 -0.846 . . . . 0.0 112.492 178.021 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.49 -23.69 62.98 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-N 118.806 1.303 . . . . 0.0 110.621 177.591 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.87 -29.23 17.64 Favored 'General case' 0 N--CA 1.443 -0.814 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 177.935 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 93.4 mt -73.12 -42.13 63.24 Favored 'General case' 0 N--CA 1.444 -0.73 0 C-N-CA 118.619 -1.232 . . . . 0.0 108.989 -179.383 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -64.75 -9.93 23.89 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 114.96 1.467 . . . . 0.0 114.96 -177.623 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -53.32 -33.66 54.34 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 119.167 0.894 . . . . 0.0 109.988 177.759 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.8 p -72.14 8.66 1.2 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.182 0.993 . . . . 0.0 113.073 178.382 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.9 m -130.79 -35.69 1.43 Allowed 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 125.086 1.354 . . . . 0.0 109.904 -173.441 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.0 mm -43.14 -37.22 0.87 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 C-N-CA 125.488 1.515 . . . . 0.0 110.906 177.142 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -47.82 -40.81 19.35 Favored Glycine 0 CA--C 1.535 1.304 0 CA-C-N 118.124 0.42 . . . . 0.0 112.157 178.097 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 34.2 m -99.68 -46.25 5.49 Favored 'General case' 0 C--N 1.339 0.137 0 C-N-CA 123.763 0.825 . . . . 0.0 110.522 178.935 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -74.33 -11.22 60.2 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 114.827 1.417 . . . . 0.0 114.827 -175.639 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 72.95 118.67 0.07 OUTLIER Glycine 0 CA--C 1.533 1.187 0 N-CA-C 119.11 2.404 . . . . 0.0 119.11 174.308 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 54.52 -76.64 0.01 OUTLIER 'General case' 0 C--N 1.341 0.215 0 C-N-CA 128.541 2.737 . . . . 0.0 113.375 176.943 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -112.23 -29.33 7.6 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 126.834 2.054 . . . . 0.0 110.645 -179.265 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 134.35 32.41 0.34 Allowed Glycine 0 CA--C 1.537 1.417 0 C-N-CA 128.707 3.051 . . . . 0.0 111.57 178.982 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.7 m -87.61 -22.41 24.77 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 114.685 1.365 . . . . 0.0 114.685 -176.633 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.7 ttmm -78.42 143.23 36.95 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.864 0.84 . . . . 0.0 111.26 -178.012 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.66 80.65 1.53 Allowed 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 106.309 -1.737 . . . . 0.0 106.309 175.823 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -41.16 136.72 1.51 Allowed 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 116.264 1.95 . . . . 0.0 116.264 -176.037 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 42.3 tpp 17.79 -49.45 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.644 1 C-N-CA 134.72 5.208 . . . . 0.0 118.86 176.526 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.15 -30.8 44.94 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 120.725 -1.234 . . . . 0.0 110.222 177.852 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 60.8 m 117.34 55.19 0.0 OUTLIER 'General case' 0 CA--C 1.528 0.114 1 C-N-CA 132.655 4.382 . . . . 0.0 105.295 -178.218 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.86 156.1 11.96 Favored 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 115.602 1.705 . . . . 0.0 115.602 -176.524 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.6 mtmm -68.33 127.95 93.19 Favored Pre-proline 0 N--CA 1.446 -0.637 0 N-CA-C 100.793 -3.78 . . . . 0.0 100.793 170.924 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -52.45 117.78 3.99 Favored 'Trans proline' 0 N--CA 1.455 -0.742 0 CA-C-N 121.595 1.605 . . . . 0.0 109.243 -178.21 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.1 m -60.29 -23.39 27.67 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 -179.372 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.3 tttp -53.34 93.2 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.525 0 CA-C-O 123.288 1.518 . . . . 0.0 111.91 173.889 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 83.09 31.13 29.4 Favored Glycine 0 N--CA 1.442 -0.908 0 CA-C-N 112.306 -2.225 . . . . 0.0 111.799 177.445 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -65.44 -36.63 84.49 Favored 'General case' 0 N--CA 1.437 -1.124 0 N-CA-C 106.273 -1.751 . . . . 0.0 106.273 177.272 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 123.75 121.94 2.67 Favored Glycine 0 C--O 1.218 -0.852 0 C-N-CA 127.851 2.643 . . . . 0.0 109.708 176.24 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.25 -47.6 12.83 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 120.611 2.206 . . . . 0.0 112.46 -178.454 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -59.49 -44.72 93.01 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 179.375 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.89 -63.76 1.14 Allowed 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 126.209 1.804 . . . . 0.0 108.17 179.886 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 27.6 mt -48.32 -45.58 35.31 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 126.935 2.094 . . . . 0.0 110.503 179.873 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -70.54 -45.7 65.01 Favored 'General case' 0 N--CA 1.45 -0.455 0 O-C-N 122.092 -0.38 . . . . 0.0 111.517 -179.053 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -59.88 -41.1 90.84 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 179.25 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -64.93 -50.06 67.96 Favored 'General case' 0 N--CA 1.438 -1.062 0 C-N-CA 124.015 0.926 . . . . 0.0 109.899 179.939 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 55.6 mtm -62.57 -36.95 84.29 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-O 117.832 -1.08 . . . . 0.0 110.276 178.634 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.29 -48.31 80.89 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 106.818 -1.549 . . . . 0.0 106.818 176.576 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -51.52 -51.7 36.55 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 177.66 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -69.38 -35.48 75.86 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 118.313 1.057 . . . . 0.0 111.477 179.15 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.34 -53.45 57.14 Favored 'General case' 0 CA--C 1.522 -0.099 0 C-N-CA 124.923 1.289 . . . . 0.0 108.796 -178.854 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -76.26 -37.65 57.31 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 177.918 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.96 22.35 8.02 Favored Glycine 0 CA--C 1.532 1.098 0 C-N-CA 125.503 1.525 . . . . 0.0 112.994 178.746 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.3 t -102.97 38.97 1.63 Allowed 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.615 1.166 . . . . 0.0 110.381 -179.885 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -159.0 161.39 36.65 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 179.66 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -145.85 -178.17 21.12 Favored Glycine 0 CA--C 1.524 0.637 0 CA-C-O 121.644 0.58 . . . . 0.0 112.813 -178.764 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 176.55 175.1 43.61 Favored Glycine 0 N--CA 1.425 -2.052 1 C-N-CA 130.863 4.078 . . . . 0.0 106.834 -178.587 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.9 tp10 -50.55 -43.89 56.31 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 124.632 1.173 . . . . 0.0 111.078 -179.529 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 32.0 mmt180 -111.36 34.21 4.23 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.748 0.819 . . . . 0.0 110.94 -179.139 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 53.1 pttt -45.9 -41.15 11.04 Favored 'General case' 0 C--N 1.34 0.186 0 C-N-CA 124.635 1.174 . . . . 0.0 113.451 -179.573 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.59 -51.29 63.5 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 122.091 0.156 . . . . 0.0 110.783 -178.368 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 93.9 mmm -57.61 -46.74 83.7 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 179.019 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 39.9 mmm -56.82 -63.09 1.32 Allowed 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.144 179.676 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 99.1 m -47.33 -48.14 25.5 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 124.723 1.209 . . . . 0.0 110.166 178.222 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.74 -42.12 92.47 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 118.339 0.518 . . . . 0.0 110.769 179.967 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.11 -30.55 60.9 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.35 0.523 . . . . 0.0 112.234 -178.648 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 79.6 t -86.07 -51.6 13.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 125.413 1.485 . . . . 0.0 114.079 -176.241 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -48.77 -30.61 5.85 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.86 1.264 . . . . 0.0 113.314 -176.884 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 25.2 pttm -69.26 -21.46 63.9 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 118.846 0.748 . . . . 0.0 112.673 -179.925 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -86.03 167.67 14.81 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-O 123.852 1.787 . . . . 0.0 111.385 -179.091 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 92.4 p -97.3 166.31 11.61 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 128.632 2.773 . . . . 0.0 109.366 178.643 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -57.95 -37.82 74.83 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 177.46 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.24 -54.16 28.32 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.514 1.126 . . . . 0.0 109.201 179.476 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.53 -48.17 72.27 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 178.633 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 83.1 mt -60.48 -42.51 96.41 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 179.11 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 16.6 ttmm -59.88 -48.59 81.09 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 121.678 -0.639 . . . . 0.0 109.402 179.038 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.51 -42.9 97.33 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 -179.728 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.4 mt -61.33 -47.98 83.44 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-O 119.203 -0.427 . . . . 0.0 111.181 179.188 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.34 -43.74 96.87 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 -179.292 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -54.34 -50.74 66.73 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 178.044 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -57.59 -59.45 5.16 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 122.941 0.496 . . . . 0.0 109.729 178.586 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 54.6 mtm -49.18 -44.42 43.0 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.665 0.666 . . . . 0.0 112.361 179.05 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.5 t -64.58 -7.12 9.2 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 117.848 -1.072 . . . . 0.0 112.982 -179.051 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -110.83 9.17 22.53 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.841 1.256 . . . . 0.0 111.638 178.963 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.253 1.256 0 CA-C-O 117.509 -1.234 . . . . 0.0 109.292 176.498 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 80' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.598 0 CA-C-O 118.058 -0.973 . . . . 0.0 108.494 . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -62.94 138.4 58.54 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 118.723 0.692 . . . . 0.0 110.686 179.92 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.59 -60.81 7.25 Favored Glycine 0 N--CA 1.447 -0.611 0 N-CA-C 109.711 -1.356 . . . . 0.0 109.711 179.558 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -48.05 -44.83 31.56 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 117.25 0.525 . . . . 0.0 110.962 -179.604 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.02 -44.59 78.89 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-O 119.494 -0.289 . . . . 0.0 111.69 -179.616 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 51.9 mt -69.86 -47.28 63.23 Favored 'General case' 0 N--CA 1.439 -1.007 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 179.197 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -53.42 -23.93 11.18 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.375 1.07 . . . . 0.0 113.883 -178.078 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -52.46 -35.47 52.58 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.387 -0.82 . . . . 0.0 110.416 176.719 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 m -69.09 -5.25 20.93 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.36 1.064 . . . . 0.0 113.37 -179.486 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.7 m -112.7 -37.93 4.74 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 127.312 2.245 . . . . 0.0 111.157 -175.203 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.1 mp -45.86 -29.34 0.89 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 125.726 1.611 . . . . 0.0 112.387 -179.903 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -55.31 -45.6 82.62 Favored Glycine 0 CA--C 1.536 1.359 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 177.223 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.3 m -89.47 -41.57 11.98 Favored 'General case' 0 C--N 1.339 0.12 0 O-C-N 122.157 -0.614 . . . . 0.0 110.034 179.187 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 84.7 m-70 -73.89 -9.83 59.04 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 113.539 0.94 . . . . 0.0 113.539 -177.297 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.95 90.37 0.02 OUTLIER Glycine 0 CA--C 1.524 0.606 0 N-CA-C 116.68 1.432 . . . . 0.0 116.68 175.03 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 66.12 -47.54 0.42 Allowed 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 127.069 2.148 . . . . 0.0 114.7 175.96 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 43.6 p-10 -134.81 -74.84 0.46 Allowed 'General case' 0 N--CA 1.436 -1.128 0 C-N-CA 126.474 1.91 . . . . 0.0 109.211 -179.742 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 176.84 26.54 0.03 OUTLIER Glycine 0 CA--C 1.524 0.642 0 C-N-CA 126.015 1.769 . . . . 0.0 109.761 179.917 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.7 p -79.42 -51.86 8.82 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 125.537 1.535 . . . . 0.0 108.297 -179.994 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -56.16 119.95 6.75 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.032 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.15 84.35 0.53 Allowed 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 106.771 -1.566 . . . . 0.0 106.771 178.54 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -35.63 126.91 0.66 Allowed 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 125.593 1.557 . . . . 0.0 114.099 -175.441 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 85.6 mmm 16.74 -74.95 0.0 OUTLIER 'General case' 0 C--N 1.344 0.348 0 C-N-CA 130.883 3.673 . . . . 0.0 113.246 179.727 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.4 46.21 1.89 Allowed Glycine 0 CA--C 1.534 1.258 0 N-CA-C 111.542 -0.623 . . . . 0.0 111.542 176.978 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.1 m 45.78 52.42 9.63 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 126.826 2.05 . . . . 0.0 112.578 178.611 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.97 135.14 56.17 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 118.736 -1.186 . . . . 0.0 112.596 179.887 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 31.9 mmtt -67.08 117.2 43.69 Favored Pre-proline 0 CA--C 1.535 0.403 0 N-CA-C 102.566 -3.124 . . . . 0.0 102.566 176.736 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 0.8 OUTLIER -20.6 103.62 0.01 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.643 1 C-N-CA 125.993 4.462 . . . . 0.0 115.616 -174.873 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 37.7 t -57.24 -35.22 47.9 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 N-CA-C 106.675 -1.602 . . . . 0.0 106.675 177.699 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -65.5 92.82 0.14 Allowed 'General case' 0 CA--C 1.514 -0.406 0 CA-C-O 122.38 1.086 . . . . 0.0 108.291 174.723 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 131.55 -14.31 5.31 Favored Glycine 0 CA--C 1.523 0.565 0 CA-C-N 112.716 -2.038 . . . . 0.0 112.507 179.274 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -66.9 147.41 53.27 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 119.15 1.475 . . . . 0.0 107.483 178.909 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -88.41 146.3 19.44 Favored Glycine 0 CA--C 1.53 1.01 0 CA-C-O 118.951 -0.916 . . . . 0.0 113.982 -175.84 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.62 -49.29 14.39 Favored 'General case' 0 C--N 1.343 0.318 0 CA-C-N 119.309 1.555 . . . . 0.0 112.644 -178.493 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -59.06 -42.98 91.63 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 -179.649 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -60.13 -63.93 1.13 Allowed 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 124.992 1.317 . . . . 0.0 107.755 179.254 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 37.7 mt -46.75 -46.06 20.16 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 126.752 2.021 . . . . 0.0 110.705 -179.273 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -71.0 -47.29 59.64 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 123.287 0.635 . . . . 0.0 111.556 -179.342 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.53 -41.16 89.38 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 179.594 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp -65.15 -51.18 62.72 Favored 'General case' 0 N--CA 1.437 -1.099 0 C-N-CA 124.654 1.181 . . . . 0.0 109.963 -179.457 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 58.2 mtm -62.67 -38.44 90.35 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-O 117.622 -1.18 . . . . 0.0 109.798 178.632 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -59.46 -45.09 92.62 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 120.74 1.609 . . . . 0.0 106.803 176.25 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -50.26 -49.69 36.98 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 124.363 0.983 . . . . 0.0 110.9 177.07 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -71.26 -54.6 10.34 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.247 -1.149 . . . . 0.0 109.842 179.009 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -40.93 -53.85 2.85 Favored 'General case' 0 CA--C 1.527 0.083 0 C-N-CA 128.101 2.56 . . . . 0.0 111.533 -178.795 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -160.44 53.2 0.32 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.02 0.928 . . . . 0.0 110.197 -177.028 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -155.15 20.66 0.56 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 120.556 -1.34 . . . . 0.0 112.339 178.399 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.1 t 39.06 42.28 0.67 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 128.337 2.655 . . . . 0.0 112.931 179.069 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -75.63 162.22 28.44 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 176.888 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -135.98 -177.46 15.01 Favored Glycine 0 C--N 1.338 0.665 0 CA-C-O 122.007 0.782 . . . . 0.0 114.653 -178.564 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 168.83 176.58 39.1 Favored Glycine 0 N--CA 1.426 -1.984 1 C-N-CA 130.791 4.044 . . . . 0.0 107.22 -177.66 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -57.18 -28.03 62.46 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 125.3 1.44 . . . . 0.0 112.692 -179.709 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 87.3 mmt-85 -126.21 32.98 5.11 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.498 1.119 . . . . 0.0 110.171 178.738 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -47.98 -40.4 22.34 Favored 'General case' 0 N--CA 1.437 -1.105 0 C-N-CA 125.067 1.347 . . . . 0.0 113.706 -179.973 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.7 -51.69 63.92 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 122.51 0.324 . . . . 0.0 110.588 -178.254 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 42.0 tpp -59.28 -46.59 88.11 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 178.932 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 44.0 mmm -55.16 -59.97 4.03 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.929 -179.738 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 35.1 m -52.98 -43.67 66.6 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 123.656 0.782 . . . . 0.0 110.276 178.195 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.95 -43.7 98.32 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 119.488 1.04 . . . . 0.0 110.634 179.506 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.7 -42.54 73.94 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-O 121.48 0.657 . . . . 0.0 111.706 -178.572 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 76.6 t -74.4 -44.07 48.64 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 C-N-CA 126.16 1.784 . . . . 0.0 113.259 -176.72 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.3 tptm -53.78 -32.95 54.32 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.199 1.0 . . . . 0.0 113.033 -177.132 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.4 pttp -74.64 -8.5 56.57 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 118.84 0.745 . . . . 0.0 112.286 -179.946 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -97.39 -179.41 4.48 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-O 122.622 1.201 . . . . 0.0 108.668 178.506 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 35.2 t -136.06 170.65 15.67 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 126.96 2.104 . . . . 0.0 109.112 179.161 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -41.98 -49.84 4.61 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 125.705 1.602 . . . . 0.0 112.828 -177.413 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -61.87 -48.71 79.29 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.167 0.587 . . . . 0.0 110.63 -178.639 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -61.39 -47.01 87.78 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.444 0.698 . . . . 0.0 109.419 179.882 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 88.2 mt -60.52 -45.04 95.28 Favored 'General case' 0 CA--C 1.528 0.124 0 N-CA-C 109.616 -0.512 . . . . 0.0 109.616 179.267 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -61.0 -42.9 99.33 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 178.889 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.99 -48.15 77.53 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 -179.824 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 15.4 mt -58.53 -51.96 67.67 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-O 119.147 -0.454 . . . . 0.0 110.864 179.423 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.44 -41.17 98.53 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-O 118.818 -0.611 . . . . 0.0 110.083 -178.478 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -54.4 -49.54 69.66 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 177.413 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -60.55 -59.31 5.61 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 178.553 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 71.5 mtm -50.83 -29.63 12.24 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 177.825 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.2 t -72.07 -23.28 61.33 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 120.743 -1.223 . . . . 0.0 112.34 -179.803 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -110.54 27.34 9.74 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 118.83 0.741 . . . . 0.0 109.283 177.984 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 21.4 tp . . . . . 0 C--O 1.25 1.094 0 C-N-CA 127.092 2.157 . . . . 0.0 111.273 -179.735 . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 80' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.666 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -83.56 81.78 8.59 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-O 118.491 -0.766 . . . . 0.0 110.513 -178.88 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -36.54 -48.22 1.23 Allowed Glycine 0 C--N 1.339 0.721 0 C-N-CA 126.204 1.859 . . . . 0.0 112.78 -179.09 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -49.34 -28.87 5.38 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 179.848 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -85.71 -29.81 23.63 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 119.126 0.875 . . . . 0.0 109.752 -178.415 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.4 mp -74.61 -39.41 62.17 Favored 'General case' 0 N--CA 1.439 -1.012 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 -179.745 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -69.15 -14.13 62.82 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 115.738 1.755 . . . . 0.0 115.738 -178.246 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -50.48 -46.15 56.74 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 119.393 0.997 . . . . 0.0 112.91 -177.881 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.31 -23.58 67.35 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.46 0.704 . . . . 0.0 112.757 179.827 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.9 m -85.63 -35.99 20.61 Favored 'General case' 0 CA--C 1.515 -0.369 0 C-N-CA 125.799 1.64 . . . . 0.0 109.838 -177.249 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -48.64 -31.63 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 C-N-CA 124.774 1.23 . . . . 0.0 110.54 179.357 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -58.64 -43.6 96.12 Favored Glycine 0 CA--C 1.535 1.335 0 CA-C-N 118.473 0.579 . . . . 0.0 112.073 177.895 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.3 m -90.38 -39.1 12.88 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 117.939 0.869 . . . . 0.0 111.702 -178.568 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -91.0 -23.54 20.36 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 115.145 1.535 . . . . 0.0 115.145 -176.481 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 86.44 156.24 28.06 Favored Glycine 0 CA--C 1.527 0.796 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.208 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.06 -43.81 63.99 Favored 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 123.642 0.777 . . . . 0.0 110.269 179.656 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 51.8 p30 -87.89 12.62 12.69 Favored 'General case' 0 N--CA 1.437 -1.105 0 C-N-CA 126.631 1.972 . . . . 0.0 113.209 -179.996 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 48.24 19.97 1.3 Allowed Glycine 0 CA--C 1.527 0.806 0 C-N-CA 125.49 1.519 . . . . 0.0 115.443 -179.727 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.3 m -95.52 -10.14 30.51 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 117.941 0.871 . . . . 0.0 112.733 -176.309 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -72.36 115.45 11.63 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 178.73 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.78 85.06 0.66 Allowed 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 105.714 -1.958 . . . . 0.0 105.714 177.344 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.26 146.18 3.92 Favored 'General case' 0 N--CA 1.443 -0.775 0 C-N-CA 125.995 1.718 . . . . 0.0 115.413 -176.22 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 46.3 tpp 28.78 -86.7 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 130.409 3.483 . . . . 0.0 114.517 178.166 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.86 -28.67 63.61 Favored Glycine 0 CA--C 1.526 0.729 0 C-N-CA 123.528 0.585 . . . . 0.0 113.608 -178.668 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 42.3 m 114.5 65.28 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.205 1 C-N-CA 131.918 4.087 . . . . 0.0 104.799 -177.823 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.01 146.43 22.55 Favored 'General case' 0 N--CA 1.438 -1.071 0 N-CA-C 116.675 2.102 . . . . 0.0 116.675 -177.731 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.1 mtmm -64.79 115.27 19.18 Favored Pre-proline 0 CA--C 1.537 0.449 0 N-CA-C 102.711 -3.07 . . . . 0.0 102.711 171.69 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -34.74 113.49 0.08 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.506 0 C-N-CA 123.93 3.087 . . . . 0.0 112.538 -177.682 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 33.5 m -64.73 -29.8 48.43 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 -179.609 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 42.2 tptt -54.1 108.49 0.37 Allowed 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 124.235 1.014 . . . . 0.0 110.496 172.777 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 107.65 -13.25 38.92 Favored Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 114.192 -1.367 . . . . 0.0 111.332 177.623 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -64.95 142.83 58.3 Favored 'General case' 0 N--CA 1.438 -1.025 0 N-CA-C 106.068 -1.827 . . . . 0.0 106.068 177.7 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -83.97 146.17 22.93 Favored Glycine 0 CA--C 1.526 0.774 0 CA-C-O 118.601 -1.111 . . . . 0.0 112.998 -175.694 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.07 -50.83 10.73 Favored 'General case' 0 CA--C 1.517 -0.311 0 C-N-CA 125.862 1.665 . . . . 0.0 112.222 -178.519 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -55.75 -48.5 75.16 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 -179.939 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -59.39 -61.81 2.35 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 124.166 0.986 . . . . 0.0 108.548 179.706 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 14.2 mt -49.08 -41.77 36.6 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 125.71 1.604 . . . . 0.0 112.064 179.866 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -77.12 -40.51 45.52 Favored 'General case' 0 N--CA 1.445 -0.693 0 O-C-N 121.949 -0.47 . . . . 0.0 110.925 -176.852 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -61.49 -43.33 99.06 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 107.376 -1.342 . . . . 0.0 107.376 178.41 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -64.66 -54.39 32.56 Favored 'General case' 0 N--CA 1.436 -1.152 0 C-N-CA 124.179 0.991 . . . . 0.0 110.366 -179.699 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 52.5 mtm -61.75 -37.13 83.11 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-O 118.066 -0.969 . . . . 0.0 110.685 179.704 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -62.97 -44.68 95.38 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 120.207 1.367 . . . . 0.0 107.341 177.318 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -53.01 -45.39 62.14 Favored Glycine 0 CA--C 1.531 1.091 0 N-CA-C 110.236 -1.145 . . . . 0.0 110.236 176.819 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -69.48 -46.36 66.82 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 117.924 0.862 . . . . 0.0 110.127 178.175 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -48.34 -51.79 24.58 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 126.608 1.963 . . . . 0.0 109.853 -178.648 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -88.13 10.25 19.96 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.219 1.008 . . . . 0.0 112.583 -178.689 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 52.92 34.52 45.9 Favored Glycine 0 CA--C 1.532 1.115 0 CA-C-N 119.027 0.83 . . . . 0.0 113.001 -179.899 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.2 t -99.64 -25.05 14.53 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.869 1.268 . . . . 0.0 110.175 -179.841 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -121.65 148.5 44.48 Favored 'General case' 0 C--N 1.34 0.16 0 N-CA-C 106.943 -1.503 . . . . 0.0 106.943 178.719 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 149.36 -176.21 28.21 Favored Glycine 0 C--N 1.335 0.478 0 CA-C-O 122.316 0.953 . . . . 0.0 112.652 176.881 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -179.26 -173.96 44.94 Favored Glycine 0 N--CA 1.425 -2.05 1 C-N-CA 132.904 5.05 . . . . 0.0 106.269 -177.848 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.4 mp0 -47.37 -58.98 3.53 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 124.786 1.235 . . . . 0.0 110.161 -179.241 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 -47.04 -47.49 22.47 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 122.541 1.163 . . . . 0.0 111.181 178.459 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 71.8 mttt -83.29 3.32 31.88 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 127.196 2.198 . . . . 0.0 114.131 -174.209 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.8 -46.49 62.73 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 107.096 -1.446 . . . . 0.0 107.096 176.919 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 64.8 mtt -59.62 -42.54 92.91 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 178.025 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 51.1 mmm -56.14 -61.46 2.37 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 177.619 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 86.1 m -46.01 -50.59 14.8 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.895 0.878 . . . . 0.0 109.871 177.946 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 15.8 t30 -56.71 -34.17 67.21 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 122.975 0.51 . . . . 0.0 111.847 179.497 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.31 -63.57 1.39 Allowed 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 119.205 0.911 . . . . 0.0 108.866 178.151 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 71.4 t -42.81 -42.88 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 127.95 2.5 . . . . 0.0 112.98 -177.71 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -53.34 -25.1 13.84 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 113.451 0.908 . . . . 0.0 113.451 -178.562 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.58 -10.38 59.47 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 119.815 1.189 . . . . 0.0 112.683 -179.719 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -107.58 142.38 37.59 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-O 122.413 1.101 . . . . 0.0 108.577 -178.607 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 86.7 p -77.91 171.19 15.36 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 126.792 2.037 . . . . 0.0 109.616 178.919 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.7 p-10 -57.58 -39.53 76.98 Favored 'General case' 0 CA--C 1.534 0.363 0 O-C-N 121.838 -0.539 . . . . 0.0 109.944 177.429 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.2 tm-20 -66.77 -51.36 56.72 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.226 1.01 . . . . 0.0 109.401 179.593 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -58.69 -45.95 88.34 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 122.066 -0.396 . . . . 0.0 110.273 179.716 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 55.6 mt -59.16 -42.69 91.35 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 178.175 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -61.86 -40.22 94.62 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.851 -0.53 . . . . 0.0 109.586 178.21 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.95 -46.43 84.71 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 179.487 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.1 mt -56.56 -51.51 68.3 Favored 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 178.113 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.44 -40.34 90.74 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 118.876 -0.583 . . . . 0.0 109.964 -179.21 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -56.43 -48.42 77.04 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 177.726 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -59.78 -59.6 5.18 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 178.285 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 70.8 mtm -52.16 -32.71 37.14 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 178.232 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.5 t -70.71 -12.16 61.38 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 120.348 -1.47 . . . . 0.0 111.516 179.727 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -114.74 24.94 11.37 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.99 1.716 . . . . 0.0 108.088 177.61 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.7 tp . . . . . 0 C--O 1.253 1.251 0 C-N-CA 125.314 1.446 . . . . 0.0 109.821 -179.36 . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 80' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.664 0 N-CA-C 107.537 -1.283 . . . . 0.0 107.537 . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -82.27 86.83 6.6 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 -179.866 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -45.43 -52.89 8.5 Favored Glycine 0 CA--C 1.528 0.851 0 C-N-CA 123.949 0.785 . . . . 0.0 112.039 -179.652 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.25 -31.43 43.4 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.578 0.751 . . . . 0.0 112.77 179.382 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.95 -22.97 33.63 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 119.152 -0.452 . . . . 0.0 110.347 -178.745 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.9 mt -85.43 -27.51 25.7 Favored 'General case' 0 N--CA 1.437 -1.101 0 N-CA-C 105.61 -1.996 . . . . 0.0 105.61 -179.777 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.446 ' CE1' ' SD ' ' A' ' 76' ' ' MET . 0.6 OUTLIER -74.11 -12.9 60.73 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 178.067 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.4 tptt -50.62 -43.5 56.93 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.689 0.796 . . . . 0.0 112.983 -177.973 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 p -69.03 -19.86 64.12 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.672 1.189 . . . . 0.0 112.909 -179.899 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.5 m -90.59 -38.74 12.95 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 126.861 2.064 . . . . 0.0 109.728 -176.398 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -46.54 -30.91 1.37 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 C-N-CA 125.955 1.702 . . . . 0.0 110.747 178.676 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -56.2 -47.94 78.06 Favored Glycine 0 CA--C 1.535 1.339 0 O-C-N 121.533 -0.73 . . . . 0.0 111.763 177.698 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.6 m -86.15 -42.7 13.64 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 117.902 0.851 . . . . 0.0 110.533 -179.518 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 56.5 m-70 -80.21 -11.69 59.71 Favored 'General case' 0 N--CA 1.431 -1.411 0 N-CA-C 115.437 1.643 . . . . 0.0 115.437 -175.762 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 84.35 154.42 20.05 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 110.306 -1.117 . . . . 0.0 110.306 -179.225 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -32.89 -57.8 0.37 Allowed 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 126.897 2.079 . . . . 0.0 113.512 -178.433 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -109.72 38.51 2.35 Favored 'General case' 0 N--CA 1.436 -1.17 0 C-N-CA 126.172 1.789 . . . . 0.0 111.844 -179.215 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 52.8 29.7 34.38 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 124.26 0.933 . . . . 0.0 114.558 178.143 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.0 p -90.14 -30.73 17.45 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 126.688 1.995 . . . . 0.0 113.246 -177.361 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -72.9 125.53 27.8 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 -178.246 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.36 84.12 0.79 Allowed 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 107.079 -1.452 . . . . 0.0 107.079 178.398 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -38.9 126.21 1.54 Allowed 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 125.636 1.574 . . . . 0.0 114.986 -176.098 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 88.4 mmm 23.68 -76.74 0.0 OUTLIER 'General case' 0 C--N 1.342 0.249 1 C-N-CA 131.822 4.049 . . . . 0.0 115.099 178.336 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -51.27 -40.39 45.15 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 110.627 -0.989 . . . . 0.0 110.627 178.929 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 43.8 t 126.25 55.75 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 130.962 3.705 . . . . 0.0 107.115 179.612 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.06 133.53 48.76 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 113.596 0.961 . . . . 0.0 113.596 -178.908 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -61.57 114.32 10.72 Favored Pre-proline 0 CA--C 1.54 0.589 0 N-CA-C 101.904 -3.369 . . . . 0.0 101.904 172.589 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo -29.82 114.84 0.05 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 124.568 3.512 . . . . 0.0 113.504 -174.801 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.0 m -63.06 -19.81 24.44 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 179.301 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.9 tttp -59.85 98.6 0.05 Allowed 'General case' 0 CA--C 1.513 -0.443 0 CA-C-O 122.303 1.049 . . . . 0.0 110.3 175.567 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 112.11 -7.41 27.12 Favored Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 113.037 -1.892 . . . . 0.0 112.027 177.874 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -63.36 145.45 55.56 Favored 'General case' 0 N--CA 1.442 -0.86 0 N-CA-C 105.318 -2.105 . . . . 0.0 105.318 176.582 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.1 145.38 33.4 Favored Glycine 0 CA--C 1.527 0.818 0 O-C-N 120.826 -1.172 . . . . 0.0 113.603 -175.114 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.32 -49.08 24.88 Favored 'General case' 0 C--N 1.34 0.158 0 CA-C-N 120.004 1.902 . . . . 0.0 111.204 179.297 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -56.73 -48.17 78.35 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 109.011 -0.736 . . . . 0.0 109.011 179.178 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -55.84 -65.87 0.52 Allowed 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 178.76 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.9 mt -48.23 -41.51 27.7 Favored 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 125.416 1.486 . . . . 0.0 111.82 -179.294 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -72.88 -40.13 65.86 Favored 'General case' 0 N--CA 1.449 -0.524 0 O-C-N 121.533 -0.73 . . . . 0.0 110.863 -178.163 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.9 tttp -64.36 -42.76 96.04 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 179.024 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 24.9 mmtp -62.48 -52.93 61.54 Favored 'General case' 0 N--CA 1.439 -1.002 0 C-N-CA 124.676 1.19 . . . . 0.0 109.511 -179.442 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 69.1 mtm -64.81 -39.33 93.42 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 117.948 -1.025 . . . . 0.0 111.173 179.711 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.3 tttp -59.09 -44.1 91.88 Favored 'General case' 0 CA--C 1.528 0.107 0 N-CA-C 106.973 -1.492 . . . . 0.0 106.973 177.068 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.47 -45.16 93.32 Favored Glycine 0 CA--C 1.532 1.129 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 177.522 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -74.02 -30.43 62.44 Favored 'General case' 0 C--O 1.225 -0.202 0 O-C-N 121.386 -1.067 . . . . 0.0 112.143 179.705 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -46.69 -52.98 12.66 Favored 'General case' 0 N--CA 1.462 0.132 0 C-N-CA 125.375 1.47 . . . . 0.0 108.148 -179.773 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -86.19 -40.12 15.93 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 176.613 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.77 27.7 4.24 Favored Glycine 0 CA--C 1.528 0.876 0 C-N-CA 124.495 1.045 . . . . 0.0 113.598 178.052 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.5 p -80.78 -46.88 14.72 Favored 'General case' 0 N--CA 1.426 -1.656 0 C-N-CA 125.29 1.436 . . . . 0.0 109.082 179.172 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -72.59 150.25 43.26 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 178.83 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -119.95 -172.59 14.96 Favored Glycine 0 C--N 1.335 0.511 0 CA-C-O 121.727 0.626 . . . . 0.0 114.003 -178.036 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 159.46 172.53 26.72 Favored Glycine 0 N--CA 1.424 -2.1 0 C-N-CA 127.856 2.646 . . . . 0.0 108.694 -178.419 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -53.41 -32.8 51.26 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 126.657 1.983 . . . . 0.0 111.946 -179.36 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 88.4 mmt-85 -128.59 35.51 4.36 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 123.771 0.828 . . . . 0.0 109.939 179.295 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.86 -37.04 63.25 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -178.257 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.59 -53.22 59.2 Favored 'General case' 0 C--O 1.233 0.2 0 O-C-N 121.954 -0.466 . . . . 0.0 110.12 -179.288 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 26.2 mmt -58.58 -44.42 89.8 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 178.971 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 28.8 mmm -56.54 -56.4 21.78 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 122.808 0.443 . . . . 0.0 110.794 179.309 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 17.8 m -52.44 -50.52 62.43 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 178.236 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -56.64 -35.69 68.65 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 121.512 -0.075 . . . . 0.0 111.013 178.798 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.7 -43.89 62.45 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 123.607 0.763 . . . . 0.0 112.411 -179.087 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.5 m -93.27 -23.7 5.38 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 -174.342 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -50.49 -33.23 20.58 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 120.319 1.418 . . . . 0.0 113.45 -176.521 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 41.4 pttt -69.22 -11.95 61.25 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 112.74 0.644 . . . . 0.0 112.74 -179.866 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 17.4 m-30 -103.11 139.72 38.26 Favored 'General case' 0 N--CA 1.436 -1.157 0 C-N-CA 124.965 1.306 . . . . 0.0 108.423 -179.836 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 77.6 p -82.52 168.49 17.34 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 126.448 1.899 . . . . 0.0 109.638 179.371 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -52.8 -39.61 62.52 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.576 0.75 . . . . 0.0 111.837 179.213 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.2 tm-20 -66.2 -51.94 52.85 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.972 0.909 . . . . 0.0 109.377 179.594 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -57.16 -50.4 72.95 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 179.355 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 37.5 mt -55.55 -44.36 76.71 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 124.386 1.074 . . . . 0.0 110.066 178.682 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -60.9 -45.47 94.51 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.63 -0.508 . . . . 0.0 109.63 179.386 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.94 -43.52 98.56 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 179.813 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.8 tp -57.71 -51.77 68.19 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 124.003 0.921 . . . . 0.0 109.922 -179.7 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.16 -46.21 88.25 Favored 'General case' 0 C--N 1.34 0.18 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.542 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -51.72 -48.53 63.56 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 179.093 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 32.1 t80 -59.93 -61.82 2.33 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 177.906 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.446 ' SD ' ' CE1' ' A' ' 7' ' ' TYR . 66.7 mtm -48.6 -30.55 5.48 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 114.065 1.135 . . . . 0.0 114.065 179.41 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.7 t -60.69 -32.33 71.56 Favored 'General case' 0 CA--C 1.534 0.338 0 O-C-N 121.481 -0.762 . . . . 0.0 110.302 179.615 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.5 tptp -89.67 -46.14 8.84 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 106.968 -1.493 . . . . 0.0 106.968 175.621 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.254 1.305 0 C-N-CA 128.32 2.648 . . . . 0.0 109.587 -178.725 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 80' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.764 0 N-CA-C 106.921 -1.511 . . . . 0.0 106.921 . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -63.69 153.43 36.19 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 107.61 -1.255 . . . . 0.0 107.61 177.065 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 76.95 80.47 0.63 Allowed Glycine 0 N--CA 1.429 -1.832 1 N-CA-C 100.047 -5.221 . . . . 0.0 100.047 -171.008 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 123.1 -45.62 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 131.44 3.896 . . . . 0.0 106.893 -174.187 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.5 -36.93 71.27 Favored 'General case' 0 C--N 1.346 0.43 0 C-N-CA 118.304 -1.358 . . . . 0.0 111.54 -177.619 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.8 mt -75.3 -37.32 60.89 Favored 'General case' 0 N--CA 1.443 -0.785 0 C-N-CA 117.275 -1.77 . . . . 0.0 109.747 -178.864 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.44 ' CE1' ' SD ' ' A' ' 76' ' ' MET . 1.3 t80 -59.02 -17.84 29.01 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 -177.058 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -51.63 -38.06 53.0 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 118.855 0.752 . . . . 0.0 111.112 176.506 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 55.5 p -68.79 -14.85 63.28 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -179.651 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.7 m -100.12 -37.18 9.06 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 126.894 2.077 . . . . 0.0 110.23 -174.903 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.1 mp -47.55 -29.68 1.78 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 C-N-CA 125.456 1.502 . . . . 0.0 109.647 176.745 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -54.0 -46.05 70.23 Favored Glycine 0 CA--C 1.536 1.375 0 O-C-N 121.663 -0.648 . . . . 0.0 112.06 177.088 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.4 m -91.73 -45.06 8.64 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 118.335 1.067 . . . . 0.0 110.356 179.832 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -77.21 -15.14 59.62 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 -175.832 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.2 156.76 26.88 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 110.175 -1.17 . . . . 0.0 110.175 -178.652 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -36.02 -58.83 0.64 Allowed 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 126.218 1.807 . . . . 0.0 112.996 -178.833 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.1 p-10 -98.67 33.46 2.28 Favored 'General case' 0 N--CA 1.44 -0.938 0 C-N-CA 126.228 1.811 . . . . 0.0 112.272 -178.767 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 42.6 40.77 3.96 Favored Glycine 0 CA--C 1.533 1.165 0 C-N-CA 125.086 1.327 . . . . 0.0 114.121 178.839 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.8 p -94.83 -34.67 12.38 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 126.981 2.113 . . . . 0.0 113.642 -176.633 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -66.78 134.57 52.42 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-O 121.261 0.553 . . . . 0.0 110.324 -177.407 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.79 77.09 2.73 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 105.679 -1.971 . . . . 0.0 105.679 176.346 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -35.48 122.92 0.64 Allowed 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 126.199 1.8 . . . . 0.0 114.677 -175.945 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.4 mmt 21.62 -68.74 0.0 OUTLIER 'General case' 0 C--N 1.344 0.334 1 C-N-CA 132.469 4.307 . . . . 0.0 115.563 177.906 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.22 -25.35 39.67 Favored Glycine 0 CA--C 1.529 0.958 0 C-N-CA 123.554 0.597 . . . . 0.0 111.818 178.235 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.3 m 106.74 56.38 0.0 OUTLIER 'General case' 0 C--N 1.334 -0.067 0 C-N-CA 131.288 3.835 . . . . 0.0 106.358 -179.402 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.02 144.77 48.52 Favored 'General case' 0 N--CA 1.443 -0.792 0 N-CA-C 116.474 2.027 . . . . 0.0 116.474 -177.306 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.8 pttm -70.79 114.46 27.01 Favored Pre-proline 0 CA--C 1.543 0.688 0 N-CA-C 101.438 -3.542 . . . . 0.0 101.438 171.104 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -31.7 117.57 0.07 OUTLIER 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 124.579 3.519 . . . . 0.0 113.75 -175.626 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 17.3 m -67.35 -22.01 28.44 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 C-N-CA 119.375 -0.93 . . . . 0.0 108.913 -179.49 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.7 ttpp -60.03 106.75 0.54 Allowed 'General case' 0 CA--C 1.515 -0.401 0 CA-C-O 122.115 0.959 . . . . 0.0 110.479 176.305 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 105.85 -4.76 39.37 Favored Glycine 0 N--CA 1.448 -0.538 0 CA-C-N 113.289 -1.778 . . . . 0.0 111.731 177.787 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -64.34 146.21 54.78 Favored 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 105.877 -1.897 . . . . 0.0 105.877 177.202 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -76.41 142.94 28.8 Favored Glycine 0 CA--C 1.528 0.846 0 O-C-N 120.865 -1.147 . . . . 0.0 113.695 -175.25 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -46.1 -47.6 17.27 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 119.688 1.744 . . . . 0.0 111.852 179.638 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.3 tm-20 -60.0 -45.09 93.9 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 179.527 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 57.3 tt0 -58.92 -62.85 1.57 Allowed 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.74 1.216 . . . . 0.0 107.98 179.419 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 50.8 mt -45.58 -49.53 13.96 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 126.959 2.103 . . . . 0.0 109.744 179.625 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -65.1 -53.45 45.15 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 123.098 0.559 . . . . 0.0 112.395 -179.925 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.7 tttp -57.38 -41.19 79.71 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 121.533 0.682 . . . . 0.0 109.759 -178.082 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp -68.88 -51.36 41.03 Favored 'General case' 0 N--CA 1.435 -1.204 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.3 -178.647 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 65.6 mtm -62.21 -35.19 78.12 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 118.575 -0.726 . . . . 0.0 110.303 178.989 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -61.05 -45.54 94.34 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 106.864 -1.532 . . . . 0.0 106.864 177.536 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.26 -47.88 84.45 Favored Glycine 0 CA--C 1.534 1.258 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 176.956 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -63.42 -42.21 98.72 Favored 'General case' 0 C--N 1.343 0.289 0 CA-C-N 118.44 1.12 . . . . 0.0 109.467 179.207 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.27 -46.15 76.12 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 125.273 1.429 . . . . 0.0 108.559 179.388 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -72.61 -19.8 61.4 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.833 0.853 . . . . 0.0 111.177 179.826 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.9 -14.1 33.7 Favored Glycine 0 CA--C 1.53 0.979 0 CA-C-N 118.801 0.728 . . . . 0.0 113.544 179.651 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.75 -40.3 79.85 Favored 'General case' 0 N--CA 1.432 -1.364 0 C-N-CA 125.522 1.529 . . . . 0.0 110.926 -179.345 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -88.18 109.55 19.99 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 178.979 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 178.21 -175.72 47.61 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 119.668 -1.254 . . . . 0.0 113.721 177.121 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -168.0 -169.8 31.95 Favored Glycine 0 N--CA 1.427 -1.921 1 C-N-CA 133.604 5.383 . . . . 0.0 107.505 -177.84 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -56.08 -61.28 2.49 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 124.531 1.133 . . . . 0.0 112.074 -178.025 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.34 -44.54 84.36 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 122.544 1.164 . . . . 0.0 109.405 -178.923 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -62.64 -13.55 33.09 Favored 'General case' 0 N--CA 1.438 -1.067 0 C-N-CA 129.168 2.987 . . . . 0.0 112.556 178.182 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.01 -42.31 76.61 Favored 'General case' 0 C--N 1.34 0.155 0 O-C-N 120.788 -1.195 . . . . 0.0 107.865 178.495 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 88.6 mmm -58.31 -44.74 88.73 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 177.777 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 33.0 mmm -56.44 -56.27 23.3 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.199 178.307 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.2 m -52.03 -49.34 63.6 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 178.273 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.06 -37.5 71.92 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 118.064 0.393 . . . . 0.0 110.43 179.001 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.57 -44.88 66.47 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.487 0.715 . . . . 0.0 112.675 -178.868 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.4 m -92.46 -24.58 5.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 N-CA-C 113.695 0.998 . . . . 0.0 113.695 -174.339 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.4 ttmt -52.11 -28.37 17.51 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 119.895 1.225 . . . . 0.0 113.474 -176.305 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -69.33 -16.11 63.47 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 118.469 0.577 . . . . 0.0 112.196 179.078 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -91.28 -168.82 2.15 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 125.77 1.628 . . . . 0.0 109.358 179.623 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 26.7 m -159.83 161.61 34.55 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 127.361 2.265 . . . . 0.0 106.94 -178.81 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -31.31 -48.14 0.12 Allowed 'General case' 0 C--O 1.224 -0.279 0 C-N-CA 126.654 1.982 . . . . 0.0 115.05 -177.171 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 31.3 tp10 -61.17 -52.87 63.02 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 119.152 0.887 . . . . 0.0 110.751 -179.792 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.3 mp0 -65.14 -43.23 92.56 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 124.169 0.988 . . . . 0.0 109.597 -179.683 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 76.6 mt -60.08 -44.1 95.03 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 178.523 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -61.88 -45.21 94.76 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 177.763 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.45 -47.91 82.45 Favored 'General case' 0 C--N 1.339 0.151 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 178.948 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 16.2 mt -58.76 -52.49 65.5 Favored 'General case' 0 N--CA 1.447 -0.622 0 O-C-N 122.002 -0.436 . . . . 0.0 111.571 179.488 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.54 -43.52 97.1 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 -178.566 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -54.85 -44.95 74.44 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 177.969 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -61.43 -66.75 0.49 Allowed 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 178.17 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.44 ' SD ' ' CE1' ' A' ' 7' ' ' TYR . 54.6 mtm -46.78 -34.73 5.51 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 179.104 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.8 t -58.48 -36.8 74.31 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 118.617 -0.706 . . . . 0.0 110.261 -179.091 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.8 ptmm? -91.95 -35.08 14.2 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 175.944 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.254 1.298 0 C-N-CA 130.184 3.394 . . . . 0.0 108.639 -178.414 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 80' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.5 t0 . . . . . 0 CA--C 1.533 0.312 0 CA-C-O 120.79 0.328 . . . . 0.0 111.524 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.22 -49.52 67.55 Favored Glycine 0 CA--C 1.528 0.858 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.58 -47.62 69.96 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 118.57 1.185 . . . . 0.0 110.854 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.33 -47.61 85.1 Favored 'General case' 0 N--CA 1.454 -0.244 0 O-C-N 122.355 -0.215 . . . . 0.0 110.751 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.3 mt -59.77 -40.65 88.95 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 118.72 0.691 . . . . 0.0 110.303 -179.068 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.481 ' N ' HD21 ' A' ' 72' ' ' LEU . 1.8 t80 -76.4 -7.8 55.81 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 115.266 1.58 . . . . 0.0 115.266 -179.324 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.7 tptm -49.12 -38.36 24.79 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -175.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.8 p -71.16 -40.61 71.19 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 122.132 0.968 . . . . 0.0 112.329 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.2 m -62.89 -36.74 84.33 Favored 'General case' 0 CA--C 1.512 -0.517 0 C-N-CA 127.387 2.275 . . . . 0.0 109.408 -175.493 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -47.39 -30.99 2.0 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.72 0 CA-C-N 113.583 -1.644 . . . . 0.0 109.646 176.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -56.98 -44.16 92.86 Favored Glycine 0 CA--C 1.534 1.222 0 O-C-N 121.67 -0.644 . . . . 0.0 113.042 178.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 m -90.21 -45.64 8.95 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 118.456 1.128 . . . . 0.0 110.399 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 34.2 m80 -73.92 -14.9 61.13 Favored 'General case' 0 N--CA 1.431 -1.411 0 C-N-CA 125.834 1.654 . . . . 0.0 114.384 -176.71 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.16 157.54 32.18 Favored Glycine 0 CA--C 1.527 0.817 0 N-CA-C 109.559 -1.416 . . . . 0.0 109.559 -179.076 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.38 -47.46 26.2 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.34 1.056 . . . . 0.0 111.714 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 51.7 p-10 -90.76 15.86 10.37 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 127.387 2.275 . . . . 0.0 112.892 -179.489 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.676 ' HA3' HD21 ' A' ' 79' ' ' LEU . . . 44.5 28.52 1.55 Allowed Glycine 0 CA--C 1.533 1.199 0 C-N-CA 125.197 1.38 . . . . 0.0 114.284 -179.146 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.5 m -107.77 -11.53 15.38 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.699 0.799 . . . . 0.0 111.52 -178.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.3 124.01 22.71 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 105.757 -1.942 . . . . 0.0 105.757 178.35 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.04 86.09 0.14 Allowed 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 179.103 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -40.39 126.77 2.3 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 125.504 1.522 . . . . 0.0 114.08 -175.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.7 mmt 22.81 -74.54 0.0 OUTLIER 'General case' 0 C--N 1.341 0.219 1 C-N-CA 131.802 4.041 . . . . 0.0 115.136 178.546 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -51.41 -43.92 52.46 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 110.297 -1.121 . . . . 0.0 110.297 179.057 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 74.4 p 131.39 55.59 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 131.641 3.976 . . . . 0.0 107.708 179.394 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.18 144.62 23.64 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 -177.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm -63.43 123.89 82.48 Favored Pre-proline 0 N--CA 1.451 -0.419 0 N-CA-C 102.498 -3.149 . . . . 0.0 102.498 173.373 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_exo -37.82 112.02 0.11 Allowed 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 123.353 2.702 . . . . 0.0 111.52 -177.667 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.5 t -61.28 -35.77 68.39 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 -177.218 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.79 ' HA ' HD23 ' A' ' 79' ' ' LEU . 38.4 tttp -48.37 105.95 0.09 Allowed 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 122.848 1.309 . . . . 0.0 113.369 179.515 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 68.48 37.62 85.73 Favored Glycine 0 N--CA 1.441 -0.968 0 CA-C-N 112.59 -2.095 . . . . 0.0 110.522 177.534 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -58.02 -42.26 84.89 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 137.21 119.02 1.78 Allowed Glycine 0 C--O 1.217 -0.91 0 C-N-CA 128.287 2.851 . . . . 0.0 107.601 176.644 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.02 -46.56 8.45 Favored 'General case' 0 C--O 1.225 -0.197 0 CA-C-N 121.069 2.434 . . . . 0.0 112.441 -178.063 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -60.65 -44.32 96.57 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 179.174 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -59.69 -63.8 1.17 Allowed 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 125.969 1.708 . . . . 0.0 108.464 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 32.5 mt -47.01 -50.38 19.33 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 126.417 1.887 . . . . 0.0 110.125 179.397 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -68.43 -46.35 70.09 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 122.748 0.419 . . . . 0.0 111.755 -178.002 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -57.81 -42.61 84.64 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 45.9 mttp -70.18 -43.06 71.56 Favored 'General case' 0 N--CA 1.437 -1.085 0 C-N-CA 123.542 0.737 . . . . 0.0 110.378 -178.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -63.41 -43.12 98.43 Favored 'General case' 0 C--O 1.221 -0.399 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.043 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.2 tttp -59.34 -48.2 82.55 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 106.981 -1.489 . . . . 0.0 106.981 177.417 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -49.62 -51.79 26.82 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.206 -1.158 . . . . 0.0 110.206 177.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -69.66 -37.74 76.83 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.678 1.239 . . . . 0.0 111.333 178.752 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.09 -49.59 68.75 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.337 1.055 . . . . 0.0 109.202 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -85.46 -25.43 26.92 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.219 0.607 . . . . 0.0 111.673 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.76 18.34 25.57 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 125.516 1.531 . . . . 0.0 114.24 178.685 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.0 t -102.17 36.4 2.13 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.01 1.324 . . . . 0.0 111.756 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 30.7 t80 . . . . . 0 CA--C 1.529 0.154 0 N-CA-C 107.613 -1.254 . . . . 0.0 107.613 177.748 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.531 0.238 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.96 -51.63 60.73 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.52 0.728 . . . . 0.0 110.395 -178.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 95.7 mmm -57.65 -47.27 82.73 Favored 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 178.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 22.2 mmm -55.01 -60.13 3.79 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 114.777 -1.101 . . . . 0.0 110.114 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 64.7 m -47.77 -51.56 21.9 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 125.139 1.375 . . . . 0.0 110.01 177.567 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -56.85 -44.08 81.79 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-O 119.46 -0.305 . . . . 0.0 110.785 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.15 -57.19 9.18 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 121.87 0.843 . . . . 0.0 109.6 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 54.4 t -50.18 -37.77 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 C-N-CA 126.802 2.041 . . . . 0.0 112.195 -179.315 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.1 tppt? -48.37 -29.91 4.45 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.125 0.97 . . . . 0.0 112.338 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 51.9 tttm -58.12 -32.68 68.37 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.021 0.928 . . . . 0.0 112.739 178.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -92.76 -169.45 2.19 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-O 123.589 1.661 . . . . 0.0 111.969 -176.665 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.7 m -161.63 156.11 22.71 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 129.162 2.985 . . . . 0.0 107.006 -178.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -22.6 -51.88 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 127.927 2.491 . . . . 0.0 116.194 -178.413 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -67.1 -49.91 63.33 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.545 0.738 . . . . 0.0 110.39 -178.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -63.18 -42.44 99.38 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 87.8 mt -61.06 -46.24 91.49 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 178.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -57.74 -46.93 83.79 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.675 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.15 -43.88 97.85 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.481 HD21 ' N ' ' A' ' 7' ' ' TYR . 13.4 mt -59.6 -49.86 76.13 Favored 'General case' 0 N--CA 1.444 -0.73 0 C-N-CA 120.955 -0.298 . . . . 0.0 110.493 179.413 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.5 -44.15 97.59 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 -179.18 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -53.42 -49.57 67.04 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 178.029 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -60.35 -62.53 1.8 Allowed 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 118.327 -0.844 . . . . 0.0 109.084 178.66 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.408 ' SD ' ' CE1' ' A' ' 7' ' ' TYR . 60.1 mtm -47.74 -31.19 4.53 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 178.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.4 t -67.2 -23.2 65.72 Favored 'General case' 0 CA--C 1.529 0.148 0 O-C-N 121.506 -0.746 . . . . 0.0 112.425 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -103.01 -45.11 5.04 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 177.032 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.79 HD23 ' HA ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.243 0 C-N-CA 130.48 3.512 . . . . 0.0 111.312 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 17.3 t0 . . . . . 0 CA--C 1.534 0.363 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.61 -43.26 91.2 Favored Glycine 0 N--CA 1.447 -0.621 0 N-CA-C 110.277 -1.129 . . . . 0.0 110.277 178.541 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.32 -24.23 66.29 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 118.012 0.906 . . . . 0.0 112.397 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -85.72 -50.32 7.26 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 107.734 -1.209 . . . . 0.0 107.734 179.277 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 82.2 mt -55.81 -45.63 78.24 Favored 'General case' 0 N--CA 1.44 -0.938 0 CA-C-O 119.285 -0.388 . . . . 0.0 110.41 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.404 ' N ' HD21 ' A' ' 72' ' ' LEU . 1.3 t80 -63.89 -14.53 54.16 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 114.558 1.318 . . . . 0.0 114.558 -177.393 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -54.79 -38.67 67.57 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 119.839 1.199 . . . . 0.0 109.814 177.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.3 -5.41 10.46 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.07 1.748 . . . . 0.0 113.584 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.6 m -115.17 -38.22 3.9 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 127.14 2.176 . . . . 0.0 110.473 -175.285 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.1 mp -45.8 -32.74 1.38 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 C-N-CA 125.322 1.449 . . . . 0.0 110.798 178.404 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -51.08 -41.28 45.72 Favored Glycine 0 CA--C 1.536 1.381 0 CA-C-N 118.561 0.619 . . . . 0.0 112.054 177.59 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 15.3 t -94.45 -46.79 6.85 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 123.761 0.824 . . . . 0.0 110.062 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 57.9 m-70 -64.52 -17.42 63.88 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.94 1.296 . . . . 0.0 113.932 -177.237 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.76 115.0 0.02 OUTLIER Glycine 0 CA--C 1.524 0.607 0 N-CA-C 115.812 1.085 . . . . 0.0 115.812 175.617 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 59.23 -65.68 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 127.801 2.44 . . . . 0.0 113.795 176.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -165.04 63.26 0.12 Allowed 'General case' 0 N--CA 1.435 -1.198 0 N-CA-C 106.115 -1.809 . . . . 0.0 106.115 -178.685 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.53 26.19 70.68 Favored Glycine 0 C--N 1.339 0.737 0 C-N-CA 124.192 0.901 . . . . 0.0 113.954 -179.523 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 87.4 p -89.79 -25.33 21.15 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 -177.011 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -102.41 152.01 21.61 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 122.492 1.139 . . . . 0.0 112.61 -176.326 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.407 ' HB1' ' HA ' ' A' ' 25' ' ' SER . . . -75.56 89.52 2.73 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 114.307 -1.315 . . . . 0.0 108.532 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -40.52 68.31 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 130.454 3.502 . . . . 0.0 117.616 -177.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.5 mmt 60.41 -66.09 0.05 Allowed 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 127.844 2.458 . . . . 0.0 112.614 177.143 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.01 -33.13 60.24 Favored Glycine 0 CA--C 1.528 0.884 0 N-CA-C 108.616 -1.794 . . . . 0.0 108.616 176.374 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.407 ' HA ' ' HB1' ' A' ' 21' ' ' ALA . 36.6 m 112.0 61.5 0.0 OUTLIER 'General case' 0 C--N 1.34 0.174 0 C-N-CA 130.689 3.596 . . . . 0.0 109.323 177.187 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.86 123.59 19.33 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 118.494 -1.282 . . . . 0.0 113.733 -179.162 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.7 pttp -53.67 119.41 18.33 Favored Pre-proline 0 CA--C 1.539 0.557 0 N-CA-C 103.077 -2.935 . . . . 0.0 103.077 172.389 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 0.8 OUTLIER -20.51 102.13 0.01 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.694 1 C-N-CA 125.734 4.289 . . . . 0.0 114.847 -175.093 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.4 t -56.8 -34.72 44.13 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 N-CA-C 105.613 -1.995 . . . . 0.0 105.613 178.215 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.3 tttp -62.31 93.76 0.05 Allowed 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 124.624 1.169 . . . . 0.0 109.612 173.3 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 127.28 -14.28 6.55 Favored Glycine 0 CA--C 1.522 0.505 0 CA-C-N 113.429 -1.714 . . . . 0.0 111.999 178.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -66.36 148.3 52.06 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 118.818 1.309 . . . . 0.0 107.471 178.532 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -85.89 144.38 20.26 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 121.432 -0.793 . . . . 0.0 113.766 -176.382 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -46.63 -46.94 20.11 Favored 'General case' 0 C--O 1.223 -0.294 0 C-N-CA 125.928 1.691 . . . . 0.0 111.836 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -55.62 -52.36 64.04 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 178.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -55.07 -61.83 2.06 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 124.935 1.294 . . . . 0.0 108.765 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.7 mt -51.5 -43.46 62.22 Favored 'General case' 0 N--CA 1.439 -0.987 0 C-N-CA 125.387 1.475 . . . . 0.0 111.635 -179.063 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -69.23 -46.55 67.07 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 118.602 0.637 . . . . 0.0 110.229 -178.489 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -63.88 -39.53 94.41 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 120.136 -0.625 . . . . 0.0 109.893 -177.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -74.0 -46.35 44.25 Favored 'General case' 0 N--CA 1.438 -1.044 0 C-N-CA 122.591 0.356 . . . . 0.0 111.24 -177.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -65.8 -38.31 88.63 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 179.503 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -64.25 -43.12 95.86 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 106.775 -1.565 . . . . 0.0 106.775 176.013 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.68 -41.45 57.34 Favored Glycine 0 CA--C 1.532 1.133 0 N-CA-C 110.16 -1.176 . . . . 0.0 110.16 176.029 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -75.23 -35.36 61.46 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 118.241 1.02 . . . . 0.0 109.887 176.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.36 -50.1 70.54 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 178.617 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -77.67 -31.96 52.84 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 177.321 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.35 -3.9 40.43 Favored Glycine 0 CA--C 1.529 0.918 0 C-N-CA 124.998 1.285 . . . . 0.0 114.826 176.682 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.9 t -72.37 -32.76 66.72 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 118.764 1.282 . . . . 0.0 111.861 -178.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 41.0 t80 . . . . . 0 C--N 1.343 0.316 0 CA-C-N 120.093 1.315 . . . . 0.0 108.606 179.627 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.531 0.228 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.09 -53.15 58.16 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.49 0.716 . . . . 0.0 111.392 -177.65 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -60.06 -42.48 94.61 Favored 'General case' 0 N--CA 1.456 -0.131 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 179.293 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 28.8 mmm -56.14 -60.61 3.25 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 178.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 87.6 m -48.15 -47.22 35.04 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.517 1.127 . . . . 0.0 109.656 177.544 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -61.74 -38.53 88.32 Favored 'General case' 0 CA--C 1.532 0.279 0 O-C-N 121.696 -0.628 . . . . 0.0 111.63 179.546 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.36 -34.04 65.38 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 118.447 0.567 . . . . 0.0 111.628 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 59.8 t -84.89 -43.2 16.98 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.188 0 C-N-CA 127.045 2.138 . . . . 0.0 116.005 -175.272 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.91 -30.88 0.44 Allowed 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 115.446 1.647 . . . . 0.0 115.446 -176.339 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.7 ptpp? -73.99 -17.06 61.04 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 113.348 0.869 . . . . 0.0 113.348 -178.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -80.12 -171.66 3.06 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-O 124.065 1.888 . . . . 0.0 110.675 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 36.1 m -155.93 163.68 39.45 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 128.749 2.819 . . . . 0.0 107.153 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -34.28 -50.93 0.43 Allowed 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.644 1.578 . . . . 0.0 114.668 -177.342 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -62.42 -50.93 69.56 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 121.068 0.461 . . . . 0.0 110.135 -178.119 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -58.36 -46.2 86.74 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 179.082 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 39.7 mt -58.81 -51.57 69.42 Favored 'General case' 0 C--N 1.338 0.099 0 CA-C-N 117.735 0.243 . . . . 0.0 110.439 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -57.62 -44.46 85.52 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 123.299 0.64 . . . . 0.0 109.994 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.82 -46.93 79.91 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 -179.228 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.472 HD23 ' HA ' ' A' ' 72' ' ' LEU . 13.0 mt -60.3 -50.52 73.31 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-O 119.475 -0.298 . . . . 0.0 110.321 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.23 -40.83 91.6 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -57.62 -52.0 67.22 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 177.631 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -55.6 -59.34 4.98 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 179.104 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 62.3 mtm -49.35 -39.81 33.22 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 177.181 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.3 t -71.51 -15.06 62.29 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 121.005 -1.059 . . . . 0.0 112.728 -179.056 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -93.77 0.72 56.46 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 118.75 0.705 . . . . 0.0 109.775 177.562 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 88.8 mt . . . . . 0 C--O 1.25 1.091 0 CA-C-O 117.27 -1.348 . . . . 0.0 109.268 176.955 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 . . . . . 0 CA--C 1.532 0.262 0 N-CA-C 106.826 -1.546 . . . . 0.0 106.826 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 77.8 80.65 0.67 Allowed Glycine 0 N--CA 1.44 -1.097 1 N-CA-C 100.449 -5.06 . . . . 0.0 100.449 -171.853 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 118.82 -38.46 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 130.451 3.501 . . . . 0.0 107.397 -173.684 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.22 -22.11 33.22 Favored 'General case' 0 C--N 1.347 0.483 0 C-N-CA 118.634 -1.226 . . . . 0.0 110.168 -176.584 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.496 ' HB2' HD13 ' A' ' 72' ' ' LEU . 17.7 mt -88.79 -40.02 13.49 Favored 'General case' 0 N--CA 1.431 -1.376 0 N-CA-C 106.001 -1.852 . . . . 0.0 106.001 -179.112 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.405 ' CE1' ' SD ' ' A' ' 76' ' ' MET . 2.0 t80 -64.33 -22.21 66.87 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 -178.496 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.1 tptm -51.81 -33.95 37.97 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 118.598 0.635 . . . . 0.0 110.213 178.648 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.19 7.84 2.51 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.696 1.598 . . . . 0.0 113.223 178.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.2 m -128.79 -37.29 1.76 Allowed 'General case' 0 C--O 1.235 0.322 0 C-N-CA 127.144 2.178 . . . . 0.0 109.997 -173.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 21.2 mm -40.97 -35.95 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 C-N-CA 126.36 1.864 . . . . 0.0 110.51 176.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -47.99 -44.06 25.01 Favored Glycine 0 CA--C 1.537 1.431 0 CA-C-O 119.679 -0.512 . . . . 0.0 112.853 178.109 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.1 m -92.96 -44.99 8.16 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 118.033 0.916 . . . . 0.0 110.459 179.371 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 41.0 m-70 -71.58 -14.24 62.02 Favored 'General case' 0 N--CA 1.434 -1.227 0 C-N-CA 126.828 2.051 . . . . 0.0 115.579 -175.606 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 83.65 160.69 30.59 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 110.359 -1.097 . . . . 0.0 110.359 -179.362 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -42.72 -18.85 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 128.018 2.527 . . . . 0.0 116.357 -177.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -153.28 40.37 0.53 Allowed 'General case' 0 N--CA 1.439 -0.985 0 CA-C-N 119.453 1.024 . . . . 0.0 109.862 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 53.52 29.32 39.21 Favored Glycine 0 C--N 1.341 0.852 0 CA-C-N 117.809 0.277 . . . . 0.0 112.95 179.312 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.2 p -90.8 -34.28 15.37 Favored 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 127.444 2.298 . . . . 0.0 111.865 -177.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -73.72 124.87 26.85 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 -179.301 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.16 85.2 0.37 Allowed 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 105.99 -1.855 . . . . 0.0 105.99 176.511 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -41.37 131.91 2.76 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 125.453 1.501 . . . . 0.0 114.202 -176.064 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.5 mmt 22.01 -78.9 0.0 OUTLIER 'General case' 0 C--N 1.342 0.262 0 C-N-CA 131.167 3.787 . . . . 0.0 115.39 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -52.13 -33.48 37.8 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 123.284 0.468 . . . . 0.0 112.141 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 67.6 m 119.13 59.95 0.0 OUTLIER 'General case' 0 N--CA 1.458 -0.071 1 C-N-CA 131.898 4.079 . . . . 0.0 106.655 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.12 142.49 36.53 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 114.235 1.198 . . . . 0.0 114.235 -178.203 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.4 mtmm -62.96 119.63 53.58 Favored Pre-proline 0 N--CA 1.45 -0.462 0 N-CA-C 102.614 -3.106 . . . . 0.0 102.614 174.078 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_exo -33.58 106.62 0.04 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 124.1 3.2 . . . . 0.0 113.137 -177.229 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.7 t -55.03 -35.14 33.69 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.2 tptt -40.23 92.52 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 127.721 2.408 . . . . 0.0 113.608 174.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 73.64 39.47 48.86 Favored Glycine 0 N--CA 1.447 -0.633 0 CA-C-N 112.606 -2.088 . . . . 0.0 111.41 177.101 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -57.73 -45.94 85.11 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 139.01 126.07 2.35 Favored Glycine 0 C--O 1.215 -1.091 0 C-N-CA 127.96 2.695 . . . . 0.0 108.459 175.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -50.31 -44.22 54.06 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 122.117 2.959 . . . . 0.0 112.181 -178.365 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -59.57 -53.23 60.48 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 122.507 1.146 . . . . 0.0 108.675 178.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -50.36 -63.8 1.01 Allowed 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 112.762 -2.017 . . . . 0.0 109.261 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.6 mt -50.93 -45.44 60.53 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 127.28 2.232 . . . . 0.0 110.469 178.59 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -63.9 -49.77 71.35 Favored 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 121.871 -0.518 . . . . 0.0 110.757 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.2 ttpm? -57.47 -42.12 81.98 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.6 mttm -62.48 -52.35 63.86 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 123.967 0.907 . . . . 0.0 110.11 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 67.9 mtm -64.36 -36.46 84.2 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 118.187 -0.911 . . . . 0.0 111.258 179.151 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.9 tptm -59.88 -46.25 89.92 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 106.074 -1.824 . . . . 0.0 106.074 177.17 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -53.81 -56.69 19.29 Favored Glycine 0 CA--C 1.528 0.85 0 N-CA-C 110.796 -0.922 . . . . 0.0 110.796 177.339 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -66.01 -41.98 90.29 Favored 'General case' 0 C--N 1.341 0.199 0 CA-C-N 118.786 1.293 . . . . 0.0 111.477 -179.148 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.73 -46.63 64.07 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.568 1.147 . . . . 0.0 108.532 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -88.3 6.98 34.45 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.272 1.029 . . . . 0.0 112.469 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 56.03 31.16 58.49 Favored Glycine 0 CA--C 1.532 1.099 0 C-N-CA 124.481 1.039 . . . . 0.0 112.977 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.8 t -118.17 38.95 3.54 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 125.784 1.634 . . . . 0.0 111.504 -178.3 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 23.4 t80 . . . . . 0 C--O 1.232 0.18 0 N-CA-C 107.27 -1.381 . . . . 0.0 107.27 179.396 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.225 -0.204 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.39 -55.93 13.45 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 118.735 0.698 . . . . 0.0 109.525 -179.371 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 35.4 mtt -55.85 -48.37 75.62 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 178.38 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.7 mmm -56.33 -52.8 63.21 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.496 179.327 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 32.1 m -53.81 -52.9 58.84 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 179.294 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -55.28 -42.51 73.67 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 117.862 0.301 . . . . 0.0 110.543 178.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.65 -43.18 97.5 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 118.437 -0.792 . . . . 0.0 112.902 -178.699 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.6 m -90.55 -34.93 6.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-N 120.252 1.387 . . . . 0.0 112.316 -176.681 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -55.96 -24.95 41.52 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -175.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -70.39 -16.01 62.91 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 118.744 0.702 . . . . 0.0 111.355 178.297 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -91.83 -176.57 4.48 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-O 122.65 1.214 . . . . 0.0 110.241 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 32.5 m -127.08 161.0 29.46 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 127.683 2.393 . . . . 0.0 109.696 -179.386 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -39.83 -50.34 2.41 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.402 1.481 . . . . 0.0 113.826 -179.02 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -59.2 -47.5 85.09 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-O 121.269 0.557 . . . . 0.0 110.369 -178.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -63.62 -43.94 95.37 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 72.6 mt -57.84 -49.05 77.96 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 178.286 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.3 ttpp -55.39 -50.51 69.56 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 178.024 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.56 -45.21 73.45 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.023 0.529 . . . . 0.0 109.706 178.6 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.496 HD13 ' HB2' ' A' ' 6' ' ' LEU . 1.6 tp -60.16 -51.43 69.64 Favored 'General case' 0 N--CA 1.449 -0.52 0 O-C-N 121.999 -0.438 . . . . 0.0 111.21 179.761 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.95 -40.23 97.04 Favored 'General case' 0 CA--C 1.516 -0.332 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 -178.054 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -55.44 -51.28 67.42 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 107.319 -1.363 . . . . 0.0 107.319 177.464 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -57.9 -59.42 5.28 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 110.436 -0.209 . . . . 0.0 110.436 179.251 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.405 ' SD ' ' CE1' ' A' ' 7' ' ' TYR . 66.9 mtm -49.99 -40.84 45.54 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 179.029 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.1 t -71.84 -14.83 62.07 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 121.146 -0.971 . . . . 0.0 112.161 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -104.57 10.55 34.95 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.743 1.217 . . . . 0.0 110.451 179.285 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 75.2 mt . . . . . 0 C--O 1.251 1.137 0 CA-C-O 117.21 -1.376 . . . . 0.0 109.533 177.053 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 57.9 t0 . . . . . 0 CA--C 1.528 0.112 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.83 -34.36 77.49 Favored Glycine 0 N--CA 1.445 -0.755 0 CA-C-O 119.323 -0.71 . . . . 0.0 111.575 177.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.16 -27.48 65.7 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 118.631 1.215 . . . . 0.0 110.231 177.482 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.07 -32.03 16.89 Favored 'General case' 0 N--CA 1.443 -0.8 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 178.541 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.422 ' C ' HD21 ' A' ' 72' ' ' LEU . 36.1 mt -73.57 -31.92 63.87 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 118.377 -1.329 . . . . 0.0 110.515 -177.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.478 ' HD1' HD22 ' A' ' 72' ' ' LEU . 0.9 OUTLIER -76.61 -7.64 55.65 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 -178.19 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -52.36 -41.42 63.05 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 119.576 1.08 . . . . 0.0 112.789 -179.196 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 p -69.77 -8.3 46.91 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.857 1.263 . . . . 0.0 113.103 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.3 m -106.59 -38.86 6.02 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 126.863 2.065 . . . . 0.0 110.011 -175.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.1 mp -44.1 -37.48 1.28 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 C-N-CA 125.638 1.575 . . . . 0.0 110.447 177.765 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -48.99 -43.3 31.3 Favored Glycine 0 CA--C 1.533 1.19 0 C-N-CA 123.641 0.639 . . . . 0.0 112.61 178.634 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.9 m -93.85 -43.13 8.74 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 117.718 0.759 . . . . 0.0 110.604 179.405 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.586 ' HB3' ' HA2' ' A' ' 18' ' ' GLY . 91.5 m-70 -71.38 -18.37 62.36 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 -175.413 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.73 115.95 0.52 Allowed Glycine 0 CA--C 1.532 1.097 0 N-CA-C 116.815 1.486 . . . . 0.0 116.815 174.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 61.76 -70.37 0.05 OUTLIER 'General case' 0 C--N 1.343 0.296 0 C-N-CA 128.306 2.642 . . . . 0.0 112.01 177.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -130.84 -25.8 2.27 Favored 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 127.879 2.472 . . . . 0.0 110.895 179.031 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.586 ' HA2' ' HB3' ' A' ' 14' ' ' HIS . . . 139.86 34.6 0.14 Allowed Glycine 0 CA--C 1.526 0.765 0 C-N-CA 127.088 2.28 . . . . 0.0 112.113 177.303 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.5 m -84.18 -22.82 30.81 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 124.924 1.289 . . . . 0.0 114.097 -177.384 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -94.16 153.35 18.14 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 122.749 1.261 . . . . 0.0 113.039 -176.723 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.86 84.35 2.8 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 106.441 -1.688 . . . . 0.0 106.441 177.055 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -39.61 133.28 1.49 Allowed 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 114.92 1.452 . . . . 0.0 114.92 -176.74 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 26.0 mmt 19.5 -77.67 0.0 OUTLIER 'General case' 0 C--N 1.342 0.252 0 C-N-CA 131.419 3.888 . . . . 0.0 115.64 178.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -50.61 -40.21 39.64 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 65.2 m 126.9 59.48 0.0 OUTLIER 'General case' 0 CA--C 1.528 0.11 1 C-N-CA 131.919 4.088 . . . . 0.0 106.783 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.35 153.97 14.5 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 -178.47 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -66.9 122.49 82.66 Favored Pre-proline 0 N--CA 1.446 -0.653 0 N-CA-C 100.854 -3.758 . . . . 0.0 100.854 172.636 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -41.19 110.77 0.14 Allowed 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.365 2.71 . . . . 0.0 110.72 -175.517 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.3 t -54.02 -46.39 65.63 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 -177.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 51.2 tttp -44.67 104.41 0.04 OUTLIER 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 122.812 1.291 . . . . 0.0 113.944 175.602 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 83.03 26.2 45.74 Favored Glycine 0 N--CA 1.442 -0.903 0 CA-C-N 112.901 -1.954 . . . . 0.0 112.476 175.277 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -64.26 -38.26 90.43 Favored 'General case' 0 N--CA 1.426 -1.627 0 CA-C-N 118.959 1.38 . . . . 0.0 107.325 178.369 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 121.5 125.69 3.19 Favored Glycine 0 C--O 1.216 -0.973 0 C-N-CA 127.842 2.639 . . . . 0.0 109.731 176.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.22 -48.29 9.34 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 120.919 2.359 . . . . 0.0 112.959 -177.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -60.67 -42.64 97.45 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 121.388 0.613 . . . . 0.0 110.054 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.4 -62.84 1.57 Allowed 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 126.312 1.845 . . . . 0.0 108.214 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 23.7 mt -49.29 -45.15 44.75 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 127.53 2.332 . . . . 0.0 109.679 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -65.04 -52.07 57.95 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 119.017 -0.516 . . . . 0.0 110.507 178.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.66 -39.23 76.6 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 118.455 0.571 . . . . 0.0 109.63 -179.707 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 36.9 mmtm -64.54 -51.38 63.18 Favored 'General case' 0 N--CA 1.441 -0.906 0 C-N-CA 124.163 0.985 . . . . 0.0 109.783 -179.209 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.4 mtm -60.81 -44.09 97.35 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-O 118.854 -0.593 . . . . 0.0 109.865 178.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 45.4 tptt -56.32 -47.74 78.11 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 107.039 -1.467 . . . . 0.0 107.039 178.064 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.18 -50.58 45.52 Favored Glycine 0 CA--C 1.529 0.934 0 N-CA-C 110.724 -0.95 . . . . 0.0 110.724 177.409 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -68.61 -39.18 80.95 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 118.804 1.302 . . . . 0.0 110.83 178.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.29 -52.13 64.45 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.065 1.346 . . . . 0.0 109.617 -178.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.8 p30 -84.63 -20.11 31.88 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.555 0.742 . . . . 0.0 111.863 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.7 19.18 52.8 Favored Glycine 0 CA--C 1.531 1.056 0 C-N-CA 124.79 1.186 . . . . 0.0 113.633 178.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.4 t -100.71 37.33 1.73 Allowed 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 118.636 1.218 . . . . 0.0 110.701 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 36.0 t80 . . . . . 0 N--CA 1.456 -0.161 0 C-N-CA 125.052 1.341 . . . . 0.0 107.49 -179.957 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.209 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.28 -53.35 56.44 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.165 0.586 . . . . 0.0 110.467 -178.408 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.09 -46.14 82.79 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 179.48 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 17.2 mmm -55.14 -58.57 7.12 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.366 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 90.8 m -50.12 -46.88 54.12 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.099 0.959 . . . . 0.0 109.257 177.282 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -57.81 -38.48 75.62 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.071 0.548 . . . . 0.0 110.844 178.182 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.56 -32.88 58.44 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.444 0.698 . . . . 0.0 111.683 -179.259 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 42.8 t -86.41 -35.75 9.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 125.991 1.717 . . . . 0.0 115.382 -176.152 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.1 ptmm? -52.0 -29.4 20.71 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 119.917 1.235 . . . . 0.0 113.438 -177.174 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 34.7 pttt -74.34 -8.19 55.41 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -112.11 141.04 46.27 Favored 'General case' 0 N--CA 1.439 -0.975 0 C-N-CA 125.441 1.497 . . . . 0.0 107.576 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 88.5 p -104.67 164.27 11.89 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 127.74 2.416 . . . . 0.0 109.449 -178.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -33.79 -50.35 0.36 Allowed 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 125.611 1.565 . . . . 0.0 114.877 -177.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.8 tp10 -66.47 -44.36 82.95 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 120.857 0.361 . . . . 0.0 110.938 -178.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -63.52 -43.78 96.19 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.454 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 74.8 mt -59.56 -48.88 79.95 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.77 0.828 . . . . 0.0 109.546 177.512 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -57.62 -47.75 81.33 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.169 0.587 . . . . 0.0 109.7 178.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.15 -44.27 97.58 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.478 HD22 ' HD1' ' A' ' 7' ' ' TYR . 15.1 mt -60.7 -49.1 78.88 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-O 119.049 -0.5 . . . . 0.0 110.736 179.214 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.82 -42.58 89.55 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 -178.712 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -55.39 -50.79 68.82 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 177.135 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -58.58 -56.84 16.91 Favored 'General case' 0 C--N 1.342 0.245 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.581 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 60.2 mtm -49.59 -42.62 44.98 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 118.432 0.56 . . . . 0.0 112.156 178.588 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.3 t -65.83 -6.97 13.69 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 117.994 -1.003 . . . . 0.0 113.073 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -107.55 5.93 27.51 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.979 1.312 . . . . 0.0 111.092 179.169 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.111 0 CA-C-O 117.255 -1.355 . . . . 0.0 109.39 176.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.8 t70 . . . . . 0 CA--C 1.53 0.211 0 CA-C-O 120.514 0.197 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.64 -60.57 8.67 Favored Glycine 0 N--CA 1.447 -0.579 0 N-CA-C 109.994 -1.242 . . . . 0.0 109.994 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -49.36 -45.64 46.08 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 117.52 0.66 . . . . 0.0 110.804 -179.683 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.02 -37.79 77.73 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 112.408 0.521 . . . . 0.0 112.408 -179.135 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 58.8 mt -74.81 -45.35 44.08 Favored 'General case' 0 N--CA 1.438 -1.051 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 178.406 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -57.29 -22.31 40.85 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 -176.545 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.1 mtmm -53.64 -34.87 60.05 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 121.232 -0.918 . . . . 0.0 110.657 178.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.32 -4.68 15.22 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.984 1.313 . . . . 0.0 113.565 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.1 m -111.34 -38.36 5.01 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 127.112 2.165 . . . . 0.0 110.649 -175.114 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.2 mp -45.7 -32.37 1.27 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 C-N-CA 125.505 1.522 . . . . 0.0 110.827 178.601 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -50.82 -43.7 48.18 Favored Glycine 0 CA--C 1.537 1.418 0 CA-C-N 118.343 0.519 . . . . 0.0 112.123 177.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.1 m -95.35 -44.1 7.72 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 117.809 0.804 . . . . 0.0 110.105 179.197 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.454 ' CE1' HG21 ' A' ' 29' ' ' VAL . 87.2 m-70 -65.96 -20.37 66.18 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.741 0.816 . . . . 0.0 113.169 -176.839 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 73.09 102.57 0.07 OUTLIER Glycine 0 CA--C 1.526 0.772 0 N-CA-C 115.806 1.082 . . . . 0.0 115.806 174.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 66.13 -48.72 0.42 Allowed 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 128.512 2.725 . . . . 0.0 114.491 176.378 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -146.56 -65.1 0.29 Allowed 'General case' 0 N--CA 1.435 -1.214 0 C-N-CA 127.602 2.361 . . . . 0.0 106.697 -178.434 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -179.93 32.78 0.06 OUTLIER Glycine 0 CA--C 1.52 0.346 0 N-CA-C 108.334 -1.906 . . . . 0.0 108.334 177.705 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 86.5 p -78.67 -32.81 47.32 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 124.694 1.197 . . . . 0.0 111.586 -177.094 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -90.61 135.76 33.5 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-O 121.456 0.646 . . . . 0.0 109.867 -178.441 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.84 83.38 0.92 Allowed 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 105.392 -2.077 . . . . 0.0 105.392 177.089 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -33.82 128.82 0.34 Allowed 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 125.786 1.634 . . . . 0.0 114.478 -175.314 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 96.1 mmm 20.09 -77.6 0.0 OUTLIER 'General case' 0 C--N 1.343 0.317 0 C-N-CA 130.36 3.464 . . . . 0.0 113.193 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.53 44.37 1.7 Allowed Glycine 0 CA--C 1.534 1.246 0 CA-C-N 118.533 0.606 . . . . 0.0 111.956 178.184 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.7 p 48.22 53.54 11.63 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 126.503 1.921 . . . . 0.0 111.516 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.29 149.22 29.39 Favored 'General case' 0 N--CA 1.448 -0.564 0 N-CA-C 114.177 1.176 . . . . 0.0 114.177 -179.506 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.0 mtmm -61.59 122.97 74.7 Favored Pre-proline 0 CA--C 1.535 0.38 0 N-CA-C 102.936 -2.987 . . . . 0.0 102.936 173.416 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_exo -37.12 109.15 0.06 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.519 0 C-N-CA 123.54 2.827 . . . . 0.0 112.327 -178.078 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.454 HG21 ' CE1' ' A' ' 14' ' ' HIS . 76.9 t -58.84 -34.06 51.24 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -178.763 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.2 tmtm? -66.21 89.23 0.13 Allowed 'General case' 0 CA--C 1.515 -0.399 0 CA-C-O 122.574 1.178 . . . . 0.0 108.082 174.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 134.69 -11.56 4.57 Favored Glycine 0 CA--C 1.523 0.572 0 CA-C-N 112.647 -2.069 . . . . 0.0 113.178 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -67.85 147.52 52.42 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 119.598 1.699 . . . . 0.0 106.82 178.634 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.93 144.9 17.32 Favored Glycine 0 N--CA 1.475 1.296 0 CA-C-O 118.54 -1.145 . . . . 0.0 114.124 -175.399 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.19 -48.3 9.25 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 119.837 1.819 . . . . 0.0 113.364 -177.631 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -59.82 -44.41 94.04 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -59.95 -64.68 0.86 Allowed 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 179.018 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 53.6 mt -44.34 -48.28 9.66 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 127.107 2.163 . . . . 0.0 110.603 -179.44 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -69.54 -49.75 51.41 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 119.054 -0.498 . . . . 0.0 111.99 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -60.27 -40.32 89.95 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 118.793 0.724 . . . . 0.0 109.7 -179.176 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 41.0 mmtm -66.02 -51.4 58.65 Favored 'General case' 0 N--CA 1.437 -1.085 0 C-N-CA 124.962 1.305 . . . . 0.0 109.506 -179.043 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 53.9 mtm -63.7 -38.65 91.91 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-O 117.726 -1.13 . . . . 0.0 110.061 178.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -60.5 -44.82 95.57 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 121.156 1.798 . . . . 0.0 106.889 177.241 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -51.71 -48.64 49.76 Favored Glycine 0 CA--C 1.532 1.115 0 N-CA-C 110.423 -1.071 . . . . 0.0 110.423 176.705 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -71.26 -37.44 71.93 Favored 'General case' 0 CA--C 1.534 0.329 0 O-C-N 121.116 -1.226 . . . . 0.0 110.841 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.19 -60.38 3.47 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 126.472 1.909 . . . . 0.0 110.543 -177.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -144.05 25.2 1.6 Allowed 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 -176.138 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -131.32 18.76 4.93 Favored Glycine 0 CA--C 1.526 0.729 0 CA-C-N 119.177 0.898 . . . . 0.0 112.881 -178.762 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.0 t 39.2 42.59 0.77 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 127.503 2.321 . . . . 0.0 112.098 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 29.0 t80 . . . . . 0 CA--C 1.532 0.284 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 176.863 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt . . . . . 0 N--CA 1.439 -0.99 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.49 -44.98 95.07 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.516 0.727 . . . . 0.0 111.363 -178.233 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -63.11 -44.24 96.19 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 38.1 mmm -60.13 -60.45 3.8 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.771 179.185 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 19.6 m -51.8 -41.05 61.41 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-N 119.249 0.931 . . . . 0.0 110.322 177.494 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -58.84 -48.8 80.06 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 119.876 1.216 . . . . 0.0 110.257 178.225 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.18 -40.87 90.78 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -179.459 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 71.5 t -79.55 -41.23 22.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 125.85 1.66 . . . . 0.0 114.713 -175.384 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -56.1 -30.72 62.46 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 119.453 1.024 . . . . 0.0 111.572 -177.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.9 ptmm? -80.5 9.96 5.31 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 118.962 -0.542 . . . . 0.0 112.157 178.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -121.01 141.02 51.12 Favored 'General case' 0 N--CA 1.441 -0.899 0 C-N-CA 125.394 1.478 . . . . 0.0 107.121 177.359 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 53.9 p -93.14 168.29 11.21 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 127.654 2.381 . . . . 0.0 109.534 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -47.81 -41.52 23.86 Favored 'General case' 0 C--O 1.224 -0.282 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -61.83 -54.57 40.35 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 118.403 0.547 . . . . 0.0 109.713 179.267 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -55.47 -51.04 68.27 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.997 0.919 . . . . 0.0 109.793 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 70.6 mt -58.99 -48.25 82.23 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.454 1.102 . . . . 0.0 110.709 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 29.2 tptp -62.34 -40.36 96.12 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.91 -47.87 78.87 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 72' ' ' LEU . 14.9 mt -58.31 -52.16 66.78 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-O 119.268 -0.396 . . . . 0.0 110.787 179.041 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.51 -42.45 98.82 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 119.198 -0.43 . . . . 0.0 110.205 -178.528 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -53.56 -48.88 68.74 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 177.701 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -62.06 -59.23 5.38 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 178.273 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 68.2 mtm -49.96 -30.98 11.47 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.631 0.974 . . . . 0.0 113.631 178.127 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.8 t -68.86 -22.48 64.21 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 120.617 -1.302 . . . . 0.0 112.379 -179.497 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.5 ptpp? -112.46 29.09 8.21 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.242 1.017 . . . . 0.0 109.493 178.093 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 21.1 tp . . . . . 0 C--O 1.251 1.169 0 C-N-CA 126.246 1.818 . . . . 0.0 111.379 -179.425 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 . . . . . 0 N--CA 1.445 -0.679 0 N-CA-C 105.752 -1.944 . . . . 0.0 105.752 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 81.89 83.97 0.8 Allowed Glycine 0 N--CA 1.438 -1.229 1 N-CA-C 100.687 -4.965 . . . . 0.0 100.687 -174.755 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 119.29 -26.7 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 130.619 3.568 . . . . 0.0 107.901 -173.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.44 -34.41 17.51 Favored 'General case' 0 C--N 1.348 0.512 0 C-N-CA 118.937 -1.105 . . . . 0.0 109.603 -177.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.531 ' C ' HD21 ' A' ' 72' ' ' LEU . 5.2 mp -75.56 -28.03 58.84 Favored 'General case' 0 N--CA 1.44 -0.97 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.313 -177.724 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.482 ' N ' HD21 ' A' ' 72' ' ' LEU . 1.7 t80 -78.07 -11.36 59.91 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 -178.183 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -49.36 -48.93 46.37 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 119.365 0.984 . . . . 0.0 112.6 -178.689 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.5 m -74.96 19.24 0.15 Allowed 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 114.212 1.19 . . . . 0.0 114.212 -177.721 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.5 m -120.66 -35.14 3.44 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 126.418 1.887 . . . . 0.0 108.594 -177.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.9 mm -48.37 -34.17 4.98 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 C-N-CA 126.069 1.748 . . . . 0.0 109.378 176.579 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -50.35 -42.2 41.67 Favored Glycine 0 CA--C 1.534 1.249 0 C-N-CA 123.581 0.61 . . . . 0.0 112.597 178.317 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.9 m -98.22 -43.07 7.13 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 118.119 0.96 . . . . 0.0 110.908 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -80.83 -11.05 59.66 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 114.912 1.449 . . . . 0.0 114.912 -175.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.1 163.4 32.29 Favored Glycine 0 CA--C 1.528 0.878 0 CA-C-N 119.181 0.9 . . . . 0.0 111.299 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -41.55 -62.7 0.83 Allowed 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 125.37 1.468 . . . . 0.0 112.138 -178.755 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -88.89 27.14 1.39 Allowed 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 125.48 1.512 . . . . 0.0 111.499 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 44.35 28.08 1.36 Allowed Glycine 0 CA--C 1.534 1.263 0 C-N-CA 125.404 1.478 . . . . 0.0 115.056 179.074 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.6 p -95.91 -20.59 18.65 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 126.163 1.785 . . . . 0.0 112.867 -176.305 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 49.2 tttm -68.38 125.83 27.7 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.68 80.7 1.11 Allowed 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 106.886 -1.524 . . . . 0.0 106.886 178.399 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -33.39 126.85 0.36 Allowed 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 126.938 2.095 . . . . 0.0 114.699 -177.476 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 20.6 mmt 27.47 -83.35 0.0 OUTLIER 'General case' 0 C--N 1.342 0.239 0 C-N-CA 130.249 3.42 . . . . 0.0 113.299 179.402 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.23 43.79 1.81 Allowed Glycine 0 CA--C 1.531 1.054 0 CA-C-N 118.779 0.718 . . . . 0.0 111.873 179.147 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 33.1 m 52.04 56.03 8.37 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 125.442 1.497 . . . . 0.0 111.187 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.74 141.34 44.49 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.7 mtmm -57.84 112.67 5.09 Favored Pre-proline 0 CA--C 1.54 0.566 0 N-CA-C 104.858 -2.275 . . . . 0.0 104.858 173.776 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -37.0 111.95 0.09 OUTLIER 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 124.092 3.195 . . . . 0.0 112.277 -176.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.4 m -68.29 -23.79 28.94 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 -178.392 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.506 ' HA ' HD23 ' A' ' 79' ' ' LEU . 46.0 tptt -49.59 105.74 0.09 Allowed 'General case' 0 CA--C 1.517 -0.321 0 CA-C-O 122.481 1.134 . . . . 0.0 112.669 175.673 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 89.18 10.66 65.84 Favored Glycine 0 N--CA 1.445 -0.749 0 CA-C-N 113.22 -1.809 . . . . 0.0 112.209 176.108 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.423 ' HB2' HD21 ' A' ' 37' ' ' LEU . 54.7 mt-30 -64.45 148.59 50.23 Favored 'General case' 0 CA--C 1.551 1.019 0 N-CA-C 104.74 -2.319 . . . . 0.0 104.74 177.051 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.42 138.46 36.2 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 120.056 -1.653 . . . . 0.0 112.599 -176.139 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.94 -45.4 41.71 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 120.298 2.049 . . . . 0.0 111.445 179.467 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -62.29 -43.08 99.64 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 178.703 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -59.46 -59.26 5.73 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.997 1.319 . . . . 0.0 108.032 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.423 HD21 ' HB2' ' A' ' 32' ' ' GLN . 62.0 mt -49.56 -48.42 48.57 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 127.3 2.24 . . . . 0.0 110.064 178.524 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -61.12 -54.58 42.73 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 122.773 0.429 . . . . 0.0 110.597 179.169 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -57.59 -38.15 74.41 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 121.014 0.435 . . . . 0.0 110.055 -179.158 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -68.08 -54.94 14.54 Favored 'General case' 0 N--CA 1.44 -0.956 0 C-N-CA 123.723 0.809 . . . . 0.0 110.688 -178.764 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 76.3 mtm -62.88 -33.85 76.17 Favored 'General case' 0 C--O 1.218 -0.562 0 CA-C-O 118.289 -0.862 . . . . 0.0 109.394 178.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 44.8 tttp -61.09 -50.76 71.94 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 106.895 -1.52 . . . . 0.0 106.895 176.463 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.72 -44.92 60.75 Favored Glycine 0 CA--C 1.531 1.082 0 C-N-CA 124.016 0.817 . . . . 0.0 111.452 178.349 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -70.86 -47.6 58.38 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 118.359 1.08 . . . . 0.0 109.34 178.099 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.21 -52.5 15.7 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 126.393 1.877 . . . . 0.0 110.202 -179.535 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.4 p30 -89.56 3.66 51.8 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.805 0.842 . . . . 0.0 112.728 -179.637 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 65.12 16.76 62.64 Favored Glycine 0 CA--C 1.532 1.144 0 C-N-CA 124.069 0.843 . . . . 0.0 114.643 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 12.6 t -79.83 -25.22 40.88 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 119.183 1.491 . . . . 0.0 109.938 179.069 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 8.0 t80 . . . . . 0 C--N 1.341 0.212 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 179.27 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.4 mttm . . . . . 0 N--CA 1.439 -1.007 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.48 -40.47 66.9 Favored 'General case' 0 C--N 1.339 0.133 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 177.377 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 21.0 mmt -60.1 -44.9 94.5 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 106.933 -1.506 . . . . 0.0 106.933 177.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 31.3 mmm -56.72 -57.29 13.05 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.637 177.651 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 87.2 m -46.91 -47.95 21.43 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.719 0.808 . . . . 0.0 109.228 177.256 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.84 -42.84 99.54 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 118.338 0.517 . . . . 0.0 110.832 179.104 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.1 -36.83 85.54 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.371 0.668 . . . . 0.0 111.498 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 54.7 t -84.35 -31.1 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 C-N-CA 127.162 2.185 . . . . 0.0 114.46 -176.145 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.4 tptt -51.13 -32.47 22.99 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 119.595 1.089 . . . . 0.0 113.928 -176.039 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.6 ptpp? -69.94 -14.75 62.86 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -102.11 -176.49 3.13 Favored 'General case' 0 N--CA 1.441 -0.897 0 C-N-CA 125.673 1.589 . . . . 0.0 108.761 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 28.8 t -161.62 172.12 16.84 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 128.617 2.767 . . . . 0.0 105.708 -179.451 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -36.04 -44.98 0.4 Allowed 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 126.995 2.118 . . . . 0.0 115.031 -176.249 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -68.32 -44.37 75.54 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 121.765 0.793 . . . . 0.0 111.512 -178.642 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.6 mp0 -69.71 -41.49 75.3 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 -178.701 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.4 mp -54.73 -49.81 69.88 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 126.528 1.931 . . . . 0.0 109.44 175.658 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -58.94 -49.25 78.55 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 178.564 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.91 -45.32 90.58 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.531 HD21 ' C ' ' A' ' 6' ' ' LEU . 17.8 mt -61.57 -55.38 31.42 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-O 119.239 -0.41 . . . . 0.0 111.931 -179.692 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.93 -43.21 91.13 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-O 118.717 -0.659 . . . . 0.0 109.551 -178.125 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -53.25 -49.02 67.72 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 178.272 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -64.92 -70.67 0.22 Allowed 'General case' 0 N--CA 1.45 -0.468 0 O-C-N 123.078 0.236 . . . . 0.0 111.235 178.765 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.415 ' HA ' HD22 ' A' ' 79' ' ' LEU . 7.5 ttp -46.34 -36.03 5.97 Favored 'General case' 0 C--O 1.224 -0.255 0 C-N-CA 125.517 1.527 . . . . 0.0 113.069 -177.789 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.1 t -56.99 -37.76 72.09 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.122 -0.987 . . . . 0.0 109.436 178.643 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -80.74 -46.9 14.74 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 106.503 -1.666 . . . . 0.0 106.503 175.102 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.506 HD23 ' HA ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.168 0 C-N-CA 130.1 3.36 . . . . 0.0 108.871 -178.734 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 C--O 1.223 -0.319 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -38.87 -47.38 2.41 Favored Glycine 0 C--N 1.34 0.762 0 C-N-CA 126.331 1.919 . . . . 0.0 112.908 -178.41 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.63 -28.16 20.19 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 -179.112 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -87.41 -27.52 22.7 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 119.607 1.094 . . . . 0.0 109.592 -179.529 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.5 mp -75.46 -45.96 35.47 Favored 'General case' 0 N--CA 1.437 -1.115 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.411 ' N ' HD21 ' A' ' 72' ' ' LEU . 1.8 t80 -60.23 -15.2 22.41 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.586 0.958 . . . . 0.0 113.586 -177.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.1 mmtp -53.52 -38.26 63.57 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 121.225 -0.922 . . . . 0.0 110.747 177.25 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.6 p -67.32 -13.1 61.69 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.3 m -104.55 -38.76 6.64 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 126.995 2.118 . . . . 0.0 110.758 -174.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -44.72 -31.74 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 C-N-CA 125.966 1.706 . . . . 0.0 111.898 179.456 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -58.69 -44.49 95.68 Favored Glycine 0 CA--C 1.535 1.3 0 CA-C-N 118.375 0.534 . . . . 0.0 111.897 177.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.8 t -86.07 -39.14 17.08 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 117.958 0.879 . . . . 0.0 110.407 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.545 ' CE1' HG21 ' A' ' 29' ' ' VAL . 85.1 m-70 -74.64 -22.58 58.83 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 113.95 1.093 . . . . 0.0 113.95 -177.559 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.04 78.68 0.67 Allowed Glycine 0 N--CA 1.451 -0.359 0 O-C-N 121.404 -0.81 . . . . 0.0 113.114 178.016 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 45.99 -92.83 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.732 1.613 . . . . 0.0 112.381 176.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.5 p-10 -83.14 47.71 1.27 Allowed 'General case' 0 N--CA 1.434 -1.242 0 C-N-CA 127.202 2.201 . . . . 0.0 110.194 -179.151 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 32.05 40.11 0.07 OUTLIER Glycine 0 CA--C 1.523 0.544 0 C-N-CA 127.937 2.684 . . . . 0.0 115.271 178.584 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 62.1 m -97.63 -24.25 15.61 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.6 0.76 . . . . 0.0 112.719 -177.084 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -76.08 128.17 34.45 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 107.401 -1.333 . . . . 0.0 107.401 178.729 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.46 85.19 0.6 Allowed 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 106.329 -1.73 . . . . 0.0 106.329 178.447 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -41.76 132.36 2.99 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 126.479 1.912 . . . . 0.0 114.713 -176.293 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 49.9 tpp 27.83 -65.45 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.408 1 C-N-CA 132.519 4.328 . . . . 0.0 116.965 178.628 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.74 -29.86 69.01 Favored Glycine 0 CA--C 1.521 0.466 0 O-C-N 121.364 -0.835 . . . . 0.0 112.328 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 71.0 m 117.14 56.83 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 131.007 3.723 . . . . 0.0 103.503 -176.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.48 137.91 41.58 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 -176.419 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.465 ' H ' ' CD ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -58.98 113.62 7.23 Favored Pre-proline 0 N--CA 1.445 -0.683 0 N-CA-C 102.089 -3.3 . . . . 0.0 102.089 173.611 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_exo -26.52 107.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 125.042 3.828 . . . . 0.0 112.921 -176.217 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.545 HG21 ' CE1' ' A' ' 14' ' ' HIS . 90.4 t -61.12 -33.85 57.81 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 N-CA-C 106.351 -1.722 . . . . 0.0 106.351 -179.149 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -60.45 106.45 0.54 Allowed 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 121.989 0.9 . . . . 0.0 109.735 175.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 114.55 -10.25 21.75 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 113.472 -1.694 . . . . 0.0 111.671 177.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -63.71 144.24 57.19 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 105.954 -1.869 . . . . 0.0 105.954 177.556 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -42.84 -97.88 0.01 OUTLIER Glycine 0 CA--C 1.539 1.588 0 N-CA-C 118.711 2.244 . . . . 0.0 118.711 -173.204 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.425 ' HA ' HD12 ' A' ' 37' ' ' LEU . . . 178.86 -59.51 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 128.894 2.878 . . . . 0.0 104.337 179.383 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -57.65 -42.53 83.64 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 106.283 -1.747 . . . . 0.0 106.283 175.168 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 66.9 tt0 -55.68 -68.05 0.23 Allowed 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 176.649 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.425 HD12 ' HA ' ' A' ' 34' ' ' ALA . 4.5 mt -46.02 -42.76 13.67 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 124.026 0.93 . . . . 0.0 112.257 -179.063 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -70.91 -45.16 64.75 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 123.601 0.76 . . . . 0.0 111.537 -178.355 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -64.82 -39.13 93.08 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 -179.06 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.8 mmmm -67.6 -48.31 67.18 Favored 'General case' 0 N--CA 1.437 -1.093 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 -179.205 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 50.6 mtm -62.39 -40.45 96.53 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-O 118.156 -0.926 . . . . 0.0 109.923 177.261 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -58.93 -43.84 91.24 Favored 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 107.748 -1.205 . . . . 0.0 107.748 178.21 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -54.36 -49.64 59.54 Favored Glycine 0 CA--C 1.532 1.127 0 N-CA-C 110.571 -1.012 . . . . 0.0 110.571 177.24 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -66.39 -50.91 61.88 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 118.287 1.043 . . . . 0.0 109.652 178.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.71 -53.46 7.28 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 127.747 2.419 . . . . 0.0 110.583 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -87.34 6.77 31.94 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.416 1.086 . . . . 0.0 112.652 -177.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.76 30.65 63.06 Favored Glycine 0 CA--C 1.531 1.044 0 CA-C-N 119.042 0.837 . . . . 0.0 112.575 -179.435 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.9 t -99.13 -14.12 19.5 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.501 1.12 . . . . 0.0 111.22 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 5.9 t80 . . . . . 0 CA--C 1.519 -0.218 0 N-CA-C 106.291 -1.744 . . . . 0.0 106.291 179.028 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.7 mttp . . . . . 0 N--CA 1.436 -1.128 0 N-CA-C 111.798 0.296 . . . . 0.0 111.798 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.13 -38.59 60.99 Favored 'General case' 0 C--N 1.342 0.282 0 O-C-N 120.799 -1.188 . . . . 0.0 107.902 177.515 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 59.8 mtt -60.98 -43.76 98.35 Favored 'General case' 0 C--N 1.341 0.219 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 177.398 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.3 mmm -55.13 -61.79 2.09 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 114.759 -1.109 . . . . 0.0 109.047 177.293 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 91.2 m -46.15 -50.07 16.0 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.181 0.992 . . . . 0.0 110.141 177.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -56.87 -40.21 75.76 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 122.968 0.507 . . . . 0.0 111.233 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.24 -58.16 3.81 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 122.102 0.953 . . . . 0.0 108.971 178.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 61.1 t -48.87 -41.98 13.45 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 C-N-CA 127.072 2.149 . . . . 0.0 113.29 -177.265 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.2 pttp -55.65 -22.94 25.28 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 120.075 1.307 . . . . 0.0 113.202 -179.063 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 41.4 tttm -65.11 -28.15 69.24 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 118.893 0.769 . . . . 0.0 111.604 178.318 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -100.15 144.77 28.78 Favored 'General case' 0 N--CA 1.432 -1.35 0 C-N-CA 126.763 2.025 . . . . 0.0 110.357 -175.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 89.3 p -97.63 165.29 12.04 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 127.815 2.446 . . . . 0.0 109.09 179.165 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -40.92 -50.33 3.25 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.46 1.104 . . . . 0.0 113.278 -179.153 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -59.43 -51.33 70.35 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 121.378 0.609 . . . . 0.0 110.204 -179.523 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -60.28 -44.6 95.2 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 123.097 0.559 . . . . 0.0 110.245 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 49.0 mt -58.97 -48.2 82.38 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.778 0.831 . . . . 0.0 109.641 178.487 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 46.6 tptt -61.94 -40.62 96.15 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.336 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.04 -42.8 89.08 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 72' ' ' LEU . 12.1 mt -57.93 -58.91 6.32 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 177.818 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -50.7 -49.67 56.9 Favored 'General case' 0 CA--C 1.531 0.229 0 O-C-N 123.405 0.441 . . . . 0.0 110.41 -178.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -51.96 -44.23 63.88 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 176.435 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -66.16 -54.73 21.87 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 118.402 -0.809 . . . . 0.0 109.193 177.369 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.6 mpp? -51.65 -27.38 11.32 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 120.243 1.383 . . . . 0.0 112.831 177.35 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.6 t -56.58 -28.42 60.22 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 120.462 -1.399 . . . . 0.0 110.078 176.461 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 41.4 mttp -107.04 40.62 1.62 Allowed 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 127.559 2.344 . . . . 0.0 109.348 179.154 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.0 tp . . . . . 0 C--O 1.25 1.108 0 C-N-CA 125.4 1.48 . . . . 0.0 109.905 179.215 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 CA--C 1.533 0.313 0 N-CA-C 113.369 0.877 . . . . 0.0 113.369 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -49.42 -46.29 36.43 Favored Glycine 0 CA--C 1.525 0.685 0 C-N-CA 123.991 0.805 . . . . 0.0 111.557 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.6 -35.2 40.54 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.069 0.948 . . . . 0.0 112.123 179.029 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.93 -19.02 35.41 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 118.847 -0.596 . . . . 0.0 111.059 -177.509 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.461 ' CB ' HD13 ' A' ' 72' ' ' LEU . 12.7 mt -90.78 -27.88 18.6 Favored 'General case' 0 N--CA 1.434 -1.24 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 -178.529 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.414 ' CE1' ' SD ' ' A' ' 76' ' ' MET . 0.8 OUTLIER -73.52 -13.96 61.13 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 114.241 1.2 . . . . 0.0 114.241 178.916 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -52.11 -45.49 64.92 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 120.996 -1.065 . . . . 0.0 112.796 -178.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 p -64.18 -19.63 65.46 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.087 0.955 . . . . 0.0 112.533 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.7 m -91.7 -40.87 11.02 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 126.635 1.974 . . . . 0.0 109.42 -176.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -46.38 -32.55 1.65 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 C-N-CA 125.508 1.523 . . . . 0.0 110.909 179.642 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -51.06 -45.19 51.39 Favored Glycine 0 CA--C 1.534 1.251 0 N-CA-C 111.89 -0.484 . . . . 0.0 111.89 177.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 13.7 m -91.3 -42.34 10.43 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 117.846 0.823 . . . . 0.0 110.182 179.12 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 61.4 m-70 -70.77 -15.45 62.67 Favored 'General case' 0 N--CA 1.432 -1.374 0 C-N-CA 126.369 1.867 . . . . 0.0 115.347 -175.593 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 65.18 107.64 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 N-CA-C 116.933 1.533 . . . . 0.0 116.933 175.021 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 56.76 -67.29 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 128.486 2.714 . . . . 0.0 114.28 176.204 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -151.58 75.82 1.18 Allowed 'General case' 0 N--CA 1.433 -1.324 0 C-N-CA 127.488 2.315 . . . . 0.0 106.749 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 42.33 30.34 0.8 Allowed Glycine 0 C--N 1.337 0.611 0 C-N-CA 126.315 1.912 . . . . 0.0 115.981 178.151 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 93.9 p -86.33 -35.32 19.92 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.654 0.782 . . . . 0.0 112.755 -177.449 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 47.6 tttm -79.11 137.34 37.45 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 121.612 0.72 . . . . 0.0 110.059 -178.219 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.45 85.24 1.12 Allowed 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 106.621 -1.622 . . . . 0.0 106.621 177.168 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -42.28 134.37 2.91 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 115.261 1.578 . . . . 0.0 115.261 -176.279 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 10.6 tpt 24.55 -80.89 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 131.042 3.737 . . . . 0.0 115.323 178.488 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.04 -35.06 53.35 Favored Glycine 0 CA--C 1.528 0.845 0 CA-C-O 119.866 -0.408 . . . . 0.0 112.161 -179.249 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 74.2 m 122.3 57.45 0.0 OUTLIER 'General case' 0 CA--C 1.527 0.066 0 C-N-CA 131.611 3.964 . . . . 0.0 106.095 -179.021 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.97 140.68 48.03 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 113.931 1.085 . . . . 0.0 113.931 -177.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.5 pttp -64.0 113.63 10.85 Favored Pre-proline 0 CA--C 1.541 0.603 0 N-CA-C 101.069 -3.678 . . . . 0.0 101.069 170.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_exo -30.84 122.05 0.07 OUTLIER 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 124.49 3.46 . . . . 0.0 113.054 -174.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.4 m -62.33 -28.46 44.65 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 N-CA-C 106.337 -1.727 . . . . 0.0 106.337 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.434 ' HA ' ' HB3' ' A' ' 79' ' ' LEU . 34.4 tttp -57.76 108.64 0.59 Allowed 'General case' 0 N--CA 1.446 -0.657 0 CA-C-O 121.526 0.679 . . . . 0.0 109.899 172.559 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 118.58 -24.87 8.34 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 114.096 -1.411 . . . . 0.0 109.787 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -67.27 144.63 55.82 Favored 'General case' 0 N--CA 1.439 -1.023 0 N-CA-C 106.523 -1.658 . . . . 0.0 106.523 177.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -85.69 151.38 25.16 Favored Glycine 0 N--CA 1.469 0.865 0 CA-C-O 119.178 -0.79 . . . . 0.0 113.375 -176.123 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -46.26 -52.03 13.34 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-N 119.385 1.593 . . . . 0.0 111.44 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -55.67 -47.11 77.27 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -57.42 -61.53 2.42 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 124.567 1.147 . . . . 0.0 109.144 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.6 mt -53.5 -42.21 67.08 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 124.884 1.274 . . . . 0.0 111.59 -179.083 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -70.42 -43.52 69.77 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 124.26 1.024 . . . . 0.0 110.627 -178.072 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 66.5 tttm -64.68 -41.7 95.87 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 -179.345 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -69.89 -45.54 67.4 Favored 'General case' 0 N--CA 1.439 -1.007 0 C-N-CA 122.943 0.497 . . . . 0.0 110.34 -178.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 53.9 mtm -63.84 -42.58 97.57 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-O 118.021 -0.99 . . . . 0.0 109.579 178.195 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -56.97 -47.55 80.47 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 106.46 -1.681 . . . . 0.0 106.46 176.401 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -51.3 -41.83 48.47 Favored Glycine 0 CA--C 1.531 1.036 0 C-N-CA 124.045 0.831 . . . . 0.0 111.433 177.128 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -77.79 -38.93 45.58 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 119.494 1.647 . . . . 0.0 110.297 177.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.92 -49.63 62.7 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.241 1.416 . . . . 0.0 108.224 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -83.73 -29.12 27.76 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.76 0.824 . . . . 0.0 110.991 178.578 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.09 18.56 28.8 Favored Glycine 0 CA--C 1.531 1.071 0 C-N-CA 124.632 1.11 . . . . 0.0 114.001 177.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 21.9 t -90.61 -18.19 25.59 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 118.317 1.059 . . . . 0.0 112.084 179.267 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 37.6 t80 . . . . . 0 N--CA 1.467 0.388 0 CA-C-N 119.622 1.101 . . . . 0.0 109.652 179.42 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 25.5 pttm . . . . . 0 CA--C 1.534 0.346 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.77 -53.58 48.67 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 123.167 0.587 . . . . 0.0 109.824 -179.417 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 15.2 tpt -56.76 -45.75 81.87 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.12 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 18.3 mmm -56.98 -51.68 68.25 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 124.091 0.956 . . . . 0.0 110.657 179.018 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 75.1 m -55.38 -49.41 72.38 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 178.356 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -56.61 -34.66 67.44 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 122.554 0.341 . . . . 0.0 110.364 177.58 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.45 -45.79 61.69 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 122.996 0.518 . . . . 0.0 111.573 -179.496 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.5 m -92.07 -16.22 7.97 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-O 117.714 -1.136 . . . . 0.0 113.934 -175.036 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -50.8 -33.31 22.91 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 121.035 1.743 . . . . 0.0 113.154 -176.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.4 pttp -74.94 -2.63 27.94 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.416 0.687 . . . . 0.0 112.762 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 19.2 m-30 -112.6 139.81 47.88 Favored 'General case' 0 N--CA 1.438 -1.064 0 C-N-CA 125.896 1.678 . . . . 0.0 107.097 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 80.3 p -100.58 166.37 10.94 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 127.405 2.282 . . . . 0.0 109.696 -179.306 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -39.27 -49.13 1.91 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.69 1.196 . . . . 0.0 114.072 -178.501 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -61.0 -49.66 76.54 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 121.473 0.654 . . . . 0.0 110.317 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -59.68 -51.89 67.87 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 55.5 mt -54.53 -51.09 66.26 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 124.952 1.301 . . . . 0.0 111.382 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.8 ttpm? -56.13 -47.63 77.78 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.66 -41.04 92.99 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.431 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.461 HD13 ' CB ' ' A' ' 6' ' ' LEU . 12.9 tp -58.4 -48.33 80.98 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 123.753 0.821 . . . . 0.0 109.278 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.04 -45.24 89.74 Favored 'General case' 0 CA--C 1.518 -0.267 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 179.5 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -52.84 -48.2 67.18 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 178.406 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -59.56 -56.81 17.22 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 178.079 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.414 ' SD ' ' CE1' ' A' ' 7' ' ' TYR . 41.6 mtm -51.08 -39.9 57.13 Favored 'General case' 0 C--O 1.222 -0.384 0 C-N-CA 120.416 -0.513 . . . . 0.0 111.611 179.334 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.8 t -61.23 -9.38 4.85 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 117.91 -1.043 . . . . 0.0 113.18 -179.386 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 24.1 ttpp -78.23 -23.49 47.39 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 119.642 1.11 . . . . 0.0 108.675 175.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.434 ' HB3' ' HA ' ' A' ' 30' ' ' LYS . 1.7 mp . . . . . 0 C--O 1.251 1.164 0 CA-C-O 116.956 -1.497 . . . . 0.0 110.381 178.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 . . . . . 0 N--CA 1.447 -0.608 0 N-CA-C 105.984 -1.858 . . . . 0.0 105.984 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 78.31 83.02 0.61 Allowed Glycine 0 N--CA 1.442 -0.929 1 N-CA-C 101.178 -4.769 . . . . 0.0 101.178 -174.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 106.84 -35.17 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 129.645 3.178 . . . . 0.0 106.421 -172.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -86.8 -9.84 54.91 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 118.755 -1.178 . . . . 0.0 111.213 -178.126 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 21.2 mt -92.48 -35.8 13.43 Favored 'General case' 0 N--CA 1.441 -0.908 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 177.047 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.544 ' CD1' HD22 ' A' ' 72' ' ' LEU . 0.7 OUTLIER -73.62 -8.55 56.42 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 116.788 2.144 . . . . 0.0 116.788 -177.404 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.49 -41.27 9.4 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 119.789 1.177 . . . . 0.0 113.348 -178.091 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.43 -43.36 81.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 122.229 1.014 . . . . 0.0 112.294 179.394 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 7.0 m -63.66 -36.08 82.65 Favored 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 127.115 2.166 . . . . 0.0 108.879 -176.075 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -51.37 -26.77 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.812 0 CA-C-N 114.051 -1.432 . . . . 0.0 110.277 177.125 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -55.0 -43.35 82.92 Favored Glycine 0 CA--C 1.532 1.121 0 CA-C-N 118.65 0.659 . . . . 0.0 111.82 177.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.6 m -93.97 -42.27 9.14 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 117.977 0.889 . . . . 0.0 109.976 179.409 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.408 ' HB3' ' HA2' ' A' ' 18' ' ' GLY . 65.6 m80 -71.49 -22.34 61.81 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 113.909 1.078 . . . . 0.0 113.909 -176.256 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.26 100.56 0.25 Allowed Glycine 0 CA--C 1.526 0.725 0 N-CA-C 116.04 1.176 . . . . 0.0 116.04 175.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 39.41 -77.06 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 128.767 2.827 . . . . 0.0 115.382 176.365 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -95.98 23.29 6.53 Favored 'General case' 0 N--CA 1.441 -0.884 0 C-N-CA 126.851 2.06 . . . . 0.0 110.615 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.408 ' HA2' ' HB3' ' A' ' 14' ' ' HIS . . . 52.76 40.28 56.31 Favored Glycine 0 CA--C 1.53 1.0 0 C-N-CA 125.578 1.561 . . . . 0.0 112.888 179.629 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.1 p -96.4 -27.09 15.09 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.805 1.242 . . . . 0.0 113.479 -177.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -75.2 138.04 41.69 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 121.836 0.826 . . . . 0.0 110.775 -176.652 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.09 82.33 0.97 Allowed 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 106.992 -1.484 . . . . 0.0 106.992 178.126 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -36.3 124.96 0.79 Allowed 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 125.773 1.629 . . . . 0.0 114.743 -176.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 26.5 mmt 22.63 -75.16 0.0 OUTLIER 'General case' 0 C--N 1.343 0.29 1 C-N-CA 132.014 4.125 . . . . 0.0 115.634 177.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -52.63 -29.72 33.17 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.632 -0.587 . . . . 0.0 111.632 179.311 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 25.8 m 111.6 62.72 0.0 OUTLIER 'General case' 0 C--O 1.232 0.139 1 C-N-CA 131.747 4.019 . . . . 0.0 106.006 -179.592 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.79 151.37 47.61 Favored 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 114.949 1.462 . . . . 0.0 114.949 -178.658 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.2 pttm -68.13 116.04 34.97 Favored Pre-proline 0 N--CA 1.447 -0.579 0 N-CA-C 102.371 -3.196 . . . . 0.0 102.371 170.631 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_exo -38.28 121.67 0.52 Allowed 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 123.514 2.809 . . . . 0.0 112.583 -177.201 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.4 m -65.47 -25.96 38.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 C-N-CA 119.185 -1.006 . . . . 0.0 108.328 -179.375 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.586 ' HA ' HD23 ' A' ' 79' ' ' LEU . 54.3 tttp -58.23 102.25 0.1 Allowed 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 122.08 0.943 . . . . 0.0 110.713 174.528 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 113.62 -10.48 23.66 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 113.413 -1.721 . . . . 0.0 112.113 178.014 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -65.53 147.34 53.57 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 106.908 -1.515 . . . . 0.0 106.908 178.351 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -79.27 143.01 25.67 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 120.966 -1.084 . . . . 0.0 114.54 -175.188 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.17 -48.66 34.35 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 119.532 1.666 . . . . 0.0 112.179 -179.272 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -59.71 -42.87 94.01 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 120.949 0.404 . . . . 0.0 109.922 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -61.41 -61.26 2.67 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 124.487 1.115 . . . . 0.0 108.448 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 38.2 mt -48.63 -48.32 39.54 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 127.001 2.12 . . . . 0.0 110.249 179.497 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -66.6 -52.42 45.48 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 123.011 0.525 . . . . 0.0 111.78 -179.321 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.2 ttpm? -58.0 -39.62 78.72 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 121.512 0.672 . . . . 0.0 109.759 -178.406 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -70.42 -50.47 38.09 Favored 'General case' 0 N--CA 1.438 -1.075 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.608 -178.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 59.8 mtm -62.19 -33.96 75.55 Favored 'General case' 0 C--O 1.22 -0.484 0 CA-C-O 118.586 -0.721 . . . . 0.0 109.931 178.494 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.7 tptt -63.53 -46.37 86.33 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 106.668 -1.604 . . . . 0.0 106.668 177.108 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -54.33 -52.96 40.89 Favored Glycine 0 CA--C 1.528 0.865 0 N-CA-C 110.431 -1.068 . . . . 0.0 110.431 176.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.0 m-30 -60.63 -44.59 96.18 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.254 1.027 . . . . 0.0 110.162 178.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.52 -45.27 66.19 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.196 0.998 . . . . 0.0 108.641 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -87.17 1.03 54.33 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.216 1.006 . . . . 0.0 112.719 -178.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.6 31.16 66.57 Favored Glycine 0 CA--C 1.534 1.27 0 CA-C-N 119.263 0.938 . . . . 0.0 111.698 -177.6 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.0 t -112.07 26.67 10.36 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.737 1.615 . . . . 0.0 111.613 -178.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 5.0 t80 . . . . . 0 N--CA 1.455 -0.2 0 N-CA-C 104.718 -2.327 . . . . 0.0 104.718 179.249 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.423 ' HA ' ' HB2' ' A' ' 57' ' ' MET . 65.3 mttm . . . . . 0 N--CA 1.434 -1.259 0 N-CA-C 113.615 0.969 . . . . 0.0 113.615 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.78 -49.47 38.6 Favored 'General case' 0 C--O 1.232 0.146 0 O-C-N 121.249 -0.907 . . . . 0.0 109.298 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 72.0 mtm -55.1 -49.83 70.73 Favored 'General case' 0 CA--C 1.529 0.139 0 N-CA-C 107.105 -1.443 . . . . 0.0 107.105 177.639 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.423 ' HB2' ' HA ' ' A' ' 54' ' ' LYS . 25.2 mmm -51.58 -54.67 25.19 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 125.562 1.545 . . . . 0.0 110.7 177.548 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 30.2 m -50.62 -53.58 29.65 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 123.266 0.626 . . . . 0.0 109.599 178.606 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.96 -34.72 73.64 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.691 -0.231 . . . . 0.0 110.636 179.445 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.13 -52.11 21.17 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 113.783 1.031 . . . . 0.0 113.783 -178.13 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.2 m -76.53 -27.58 17.29 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 C-N-CA 119.181 -1.008 . . . . 0.0 113.004 -172.274 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.79 -12.41 4.31 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 114.171 1.175 . . . . 0.0 114.171 -176.325 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.5 pttp -71.35 -21.18 62.07 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 119.298 0.954 . . . . 0.0 109.934 176.205 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -85.75 -167.51 1.88 Allowed 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 125.393 1.477 . . . . 0.0 108.288 177.515 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.2 m -159.27 158.08 31.82 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 127.366 2.266 . . . . 0.0 106.889 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -29.65 -48.25 0.08 Allowed 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 126.854 2.062 . . . . 0.0 115.58 -176.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -64.24 -51.35 64.07 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 119.161 0.891 . . . . 0.0 110.481 -179.402 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 28.2 mp0 -63.09 -42.33 99.59 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 179.504 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.4 mt -60.85 -43.04 98.85 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 178.546 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.8 ttpm? -63.02 -45.17 93.58 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 178.038 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.45 -46.94 85.56 Favored 'General case' 0 CA--C 1.529 0.155 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 178.631 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.544 HD22 ' CD1' ' A' ' 7' ' ' TYR . 12.5 mt -59.0 -52.62 64.98 Favored 'General case' 0 N--CA 1.447 -0.594 0 O-C-N 121.981 -0.449 . . . . 0.0 110.825 178.55 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.54 -40.62 87.81 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 -178.114 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -57.27 -48.66 78.31 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 177.693 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -57.94 -59.38 5.34 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 178.66 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.403 ' SD ' ' CZ ' ' A' ' 7' ' ' TYR . 67.3 mtm -54.72 -33.96 61.78 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 179.312 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.7 t -77.5 -4.17 44.22 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 121.17 -0.956 . . . . 0.0 111.901 178.72 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -128.05 28.45 5.54 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.557 1.943 . . . . 0.0 107.112 179.276 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.586 HD23 ' HA ' ' A' ' 30' ' ' LYS . 12.0 tp . . . . . 0 C--O 1.25 1.117 0 C-N-CA 126.47 1.908 . . . . 0.0 111.441 -178.189 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 . . . . . 0 CA--C 1.53 0.182 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -53.79 -60.26 8.59 Favored Glycine 0 C--N 1.337 0.622 0 N-CA-C 110.759 -0.936 . . . . 0.0 110.759 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -47.91 -43.49 28.88 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 117.18 0.49 . . . . 0.0 111.518 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.33 -42.49 98.98 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 119.401 -0.333 . . . . 0.0 111.447 -179.357 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 38.9 mt -69.45 -43.07 74.02 Favored 'General case' 0 N--CA 1.438 -1.047 0 CA-C-N 118.906 0.775 . . . . 0.0 108.919 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.411 ' N ' HD21 ' A' ' 72' ' ' LEU . 1.8 t80 -64.62 -15.23 60.86 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 114.505 1.298 . . . . 0.0 114.505 -178.332 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -47.08 -42.45 18.84 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 119.823 1.192 . . . . 0.0 109.991 177.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -66.55 7.43 0.34 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 127.542 2.337 . . . . 0.0 114.036 179.429 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.0 m -131.88 -35.17 1.26 Allowed 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 126.368 1.867 . . . . 0.0 110.615 -173.486 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.5 mm -43.05 -35.85 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 C-N-CA 125.605 1.562 . . . . 0.0 110.478 177.187 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -51.95 -44.35 55.99 Favored Glycine 0 CA--C 1.536 1.369 0 CA-C-N 118.335 0.516 . . . . 0.0 112.669 178.164 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.2 m -89.37 -44.61 10.07 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 118.097 0.948 . . . . 0.0 111.164 -179.478 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 52.8 m-70 -78.65 -34.58 46.28 Favored 'General case' 0 N--CA 1.435 -1.212 0 N-CA-C 116.924 2.194 . . . . 0.0 116.924 -174.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 97.79 155.05 29.75 Favored Glycine 0 CA--C 1.531 1.053 0 N-CA-C 107.225 -2.35 . . . . 0.0 107.225 -175.206 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.83 -43.39 59.09 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 118.658 1.229 . . . . 0.0 110.977 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 57.7 p30 -88.38 8.38 27.97 Favored 'General case' 0 N--CA 1.436 -1.139 0 C-N-CA 129.29 3.036 . . . . 0.0 112.719 -179.535 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.519 ' HA3' HD21 ' A' ' 79' ' ' LEU . . . 43.33 31.07 1.39 Allowed Glycine 0 CA--C 1.527 0.819 0 C-N-CA 126.044 1.783 . . . . 0.0 113.495 -177.476 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.1 m -94.35 -18.28 21.75 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 123.332 0.653 . . . . 0.0 111.075 -178.464 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -70.45 123.2 21.2 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 178.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.53 85.34 0.62 Allowed 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 106.218 -1.771 . . . . 0.0 106.218 177.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.13 141.75 7.78 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 115.458 1.651 . . . . 0.0 115.458 -175.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 15.2 tpt 31.13 -84.81 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 130.249 3.42 . . . . 0.0 114.672 178.008 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.32 -33.16 64.96 Favored Glycine 0 CA--C 1.525 0.672 0 C-N-CA 123.322 0.487 . . . . 0.0 112.882 -178.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 67.8 m 119.9 60.36 0.0 OUTLIER 'General case' 0 N--CA 1.457 -0.098 0 C-N-CA 131.367 3.867 . . . . 0.0 104.086 -177.448 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.39 143.4 19.14 Favored 'General case' 0 N--CA 1.439 -1.022 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 -176.599 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -60.55 113.2 6.95 Favored Pre-proline 0 N--CA 1.448 -0.561 0 N-CA-C 101.433 -3.543 . . . . 0.0 101.433 172.051 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -34.95 121.06 0.16 Allowed 'Trans proline' 0 N--CA 1.454 -0.816 0 C-N-CA 123.419 2.746 . . . . 0.0 111.818 -175.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.0 t -61.7 -40.94 88.54 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 N-CA-C 105.032 -2.21 . . . . 0.0 105.032 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -49.42 115.79 1.48 Allowed 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 124.516 1.126 . . . . 0.0 109.058 173.565 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 105.74 -15.41 45.03 Favored Glycine 0 N--CA 1.443 -0.866 0 C-N-CA 124.83 1.205 . . . . 0.0 111.086 177.173 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -69.92 143.42 52.73 Favored 'General case' 0 N--CA 1.435 -1.224 0 CA-C-N 118.734 1.267 . . . . 0.0 108.026 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -86.2 148.42 22.23 Favored Glycine 0 N--CA 1.471 1.008 0 O-C-N 121.262 -0.899 . . . . 0.0 113.595 -176.254 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -46.92 -48.41 21.34 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 119.697 1.749 . . . . 0.0 112.211 -178.485 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -59.29 -47.74 84.26 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -56.91 -60.54 3.43 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 125.2 1.4 . . . . 0.0 109.157 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 35.0 mt -50.8 -49.3 58.8 Favored 'General case' 0 N--CA 1.441 -0.898 0 C-N-CA 126.789 2.036 . . . . 0.0 109.83 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -65.74 -48.25 72.55 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 119.042 -0.504 . . . . 0.0 110.95 -178.187 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -60.88 -40.2 92.11 Favored 'General case' 0 N--CA 1.426 -1.64 0 CA-C-N 119.492 1.042 . . . . 0.0 110.486 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -70.66 -48.31 55.5 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-O 121.144 0.497 . . . . 0.0 110.922 -178.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -64.71 -38.04 89.64 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -65.4 -41.84 93.24 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 106.701 -1.592 . . . . 0.0 106.701 176.055 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.17 -49.34 50.46 Favored Glycine 0 CA--C 1.529 0.926 0 N-CA-C 108.842 -1.703 . . . . 0.0 108.842 176.06 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -66.61 -47.12 73.66 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 118.328 1.064 . . . . 0.0 109.883 178.444 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -48.62 -46.91 40.35 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.557 1.143 . . . . 0.0 110.693 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -93.1 8.1 41.45 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.784 1.234 . . . . 0.0 112.661 -178.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 52.16 36.32 44.06 Favored Glycine 0 CA--C 1.533 1.195 0 C-N-CA 124.126 0.87 . . . . 0.0 113.22 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.4 t -111.43 18.8 18.83 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.472 1.509 . . . . 0.0 112.005 -178.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 5.0 t80 . . . . . 0 N--CA 1.456 -0.168 0 N-CA-C 105.611 -1.996 . . . . 0.0 105.611 179.374 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.444 -0.743 0 N-CA-C 113.253 0.835 . . . . 0.0 113.253 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.4 -41.53 98.74 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 121.009 -1.057 . . . . 0.0 108.226 175.341 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 85.2 mtp -61.98 -45.93 91.48 Favored 'General case' 0 C--N 1.34 0.187 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 178.583 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 28.4 mmm -55.13 -53.23 58.56 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.153 178.142 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 89.3 m -51.04 -52.38 43.75 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 178.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -57.4 -34.34 68.78 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.027 178.225 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.29 -47.64 48.47 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.3 m -86.57 -21.72 7.33 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 -173.077 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 25.8 pttm -47.39 -29.84 2.89 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 120.016 1.28 . . . . 0.0 114.416 -176.565 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.7 pttm -68.76 -18.01 64.14 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -179.232 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -83.48 -168.52 2.14 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-O 123.789 1.756 . . . . 0.0 110.8 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 58.7 m -153.16 163.57 39.64 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 128.566 2.747 . . . . 0.0 107.897 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -36.04 -50.28 0.69 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.88 1.672 . . . . 0.0 113.767 -178.376 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.78 -53.87 52.08 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -178.778 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -56.62 -46.5 80.9 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.705 0.802 . . . . 0.0 109.464 179.085 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.8 mt -58.97 -48.76 80.38 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 118.063 0.392 . . . . 0.0 110.217 179.208 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.1 tmmm? -57.3 -46.86 82.76 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 179.012 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.96 -45.76 90.91 Favored 'General case' 0 N--CA 1.454 -0.242 0 O-C-N 122.044 -0.41 . . . . 0.0 110.541 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.411 HD21 ' N ' ' A' ' 7' ' ' TYR . 14.8 mt -58.42 -49.74 76.2 Favored 'General case' 0 N--CA 1.448 -0.543 0 O-C-N 121.828 -0.545 . . . . 0.0 109.858 179.002 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.48 -36.87 83.86 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -58.79 -48.88 79.72 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 177.411 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -58.7 -60.78 3.28 Favored 'General case' 0 C--N 1.342 0.275 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 177.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 74.7 mtm -52.73 -30.81 34.53 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 178.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.8 t -70.1 -17.95 63.23 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 120.017 -1.677 . . . . 0.0 111.908 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -96.75 15.93 20.54 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 176.356 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.519 HD21 ' HA3' ' A' ' 18' ' ' GLY . 4.4 tp . . . . . 0 C--O 1.249 1.067 0 C-N-CA 126.076 1.751 . . . . 0.0 107.373 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 CA--C 1.532 0.253 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -47.62 -47.7 23.45 Favored Glycine 0 CA--C 1.527 0.841 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 178.707 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.37 -29.64 58.81 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.92 -46.65 13.76 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 179.529 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 85.0 mt -56.36 -46.09 80.18 Favored 'General case' 0 N--CA 1.439 -0.999 0 CA-C-O 119.12 -0.467 . . . . 0.0 110.006 -178.721 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.462 ' CE1' ' SD ' ' A' ' 76' ' ' MET . 2.1 t80 -63.66 -14.3 50.74 Favored 'General case' 0 C--N 1.345 0.392 0 N-CA-C 114.659 1.355 . . . . 0.0 114.659 -177.79 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -60.35 -24.55 65.15 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 120.98 -1.075 . . . . 0.0 110.086 177.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.08 -3.26 25.23 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.814 0.846 . . . . 0.0 112.293 177.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.2 m -119.52 -34.05 3.9 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 127.323 2.249 . . . . 0.0 111.742 -174.136 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.1 mp -43.2 -31.39 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 C-N-CA 126.051 1.74 . . . . 0.0 110.714 177.696 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -50.77 -46.0 48.46 Favored Glycine 0 CA--C 1.537 1.42 0 O-C-N 121.655 -0.653 . . . . 0.0 112.475 177.614 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.5 m -91.74 -45.7 8.29 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 118.265 1.032 . . . . 0.0 110.675 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.429 ' CE1' HG21 ' A' ' 29' ' ' VAL . 94.8 m-70 -75.18 -17.58 60.35 Favored 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 -175.384 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.9 157.16 31.41 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 109.887 -1.285 . . . . 0.0 109.887 -178.284 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -36.63 -59.92 0.63 Allowed 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.96 1.704 . . . . 0.0 112.997 -178.63 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -100.08 32.93 2.77 Favored 'General case' 0 N--CA 1.443 -0.825 0 C-N-CA 126.104 1.761 . . . . 0.0 111.747 -179.334 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 45.61 35.18 5.5 Favored Glycine 0 CA--C 1.53 1.015 0 C-N-CA 125.416 1.484 . . . . 0.0 114.715 178.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.3 p -86.65 -29.44 22.51 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 125.797 1.639 . . . . 0.0 113.145 -177.197 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -71.36 136.78 47.96 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 121.492 0.663 . . . . 0.0 110.717 -177.653 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.97 77.58 2.85 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 104.92 -2.252 . . . . 0.0 104.92 175.457 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -32.22 121.72 0.31 Allowed 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 126.194 1.798 . . . . 0.0 115.071 -175.516 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 26.5 mmt 22.89 -69.81 0.0 OUTLIER 'General case' 0 C--N 1.344 0.349 1 C-N-CA 132.307 4.243 . . . . 0.0 115.297 178.084 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.16 -24.89 37.64 Favored Glycine 0 CA--C 1.527 0.823 0 C-N-CA 124.017 0.818 . . . . 0.0 112.405 178.617 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.5 m 107.21 53.53 0.0 OUTLIER 'General case' 0 C--N 1.335 -0.054 0 C-N-CA 130.883 3.673 . . . . 0.0 106.118 -179.24 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.44 153.15 27.88 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 115.621 1.712 . . . . 0.0 115.621 -176.65 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -64.42 133.87 95.81 Favored Pre-proline 0 N--CA 1.449 -0.515 0 N-CA-C 102.533 -3.136 . . . . 0.0 102.533 172.174 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -49.02 113.74 1.02 Allowed 'Trans proline' 0 N--CA 1.456 -0.685 0 C-N-CA 122.531 2.154 . . . . 0.0 110.924 -176.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.429 HG21 ' CE1' ' A' ' 14' ' ' HIS . 37.1 t -62.88 -31.98 54.32 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 CA-C-O 118.968 -0.539 . . . . 0.0 109.925 -177.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.444 ' HA ' HD23 ' A' ' 79' ' ' LEU . 60.3 tttm -46.46 86.51 0.0 OUTLIER 'General case' 0 CA--C 1.522 -0.13 0 N-CA-C 115.77 1.767 . . . . 0.0 115.77 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 80.52 24.97 57.81 Favored Glycine 0 N--CA 1.436 -1.356 0 CA-C-N 111.467 -2.606 . . . . 0.0 112.577 175.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . 0.292 20.8 pt20 -75.53 96.95 3.6 Favored 'General case' 0 N--CA 1.44 -0.937 0 CA-C-N 119.672 1.736 . . . . 0.0 109.336 179.419 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 53.52 -145.33 23.66 Favored Glycine 0 CA--C 1.545 1.949 0 C-N-CA 126.319 1.914 . . . . 0.0 111.129 -174.104 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -156.69 -61.63 0.1 Allowed 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 129.989 3.316 . . . . 0.0 102.255 176.253 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.3 tm-20 -57.59 -37.02 72.51 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 106.877 -1.527 . . . . 0.0 106.877 174.45 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -59.89 -65.02 0.74 Allowed 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 178.682 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.26 -38.43 58.17 Favored 'General case' 0 N--CA 1.451 -0.379 0 O-C-N 121.927 -0.483 . . . . 0.0 112.077 -179.319 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -66.1 -45.31 81.66 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 118.105 0.411 . . . . 0.0 111.209 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.7 ttmt -61.28 -44.9 96.47 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 -179.33 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 24.7 mmtp -66.48 -48.94 68.26 Favored 'General case' 0 N--CA 1.435 -1.188 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.99 -178.092 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 60.8 mtm -62.5 -39.46 93.58 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-O 118.143 -0.932 . . . . 0.0 109.866 178.103 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -58.68 -45.03 90.34 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 107.289 -1.375 . . . . 0.0 107.289 177.476 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -54.08 -54.32 32.2 Favored Glycine 0 CA--C 1.534 1.236 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 177.149 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -61.86 -52.55 63.67 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 118.252 1.026 . . . . 0.0 109.918 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -45.74 -53.46 9.43 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 127.222 2.209 . . . . 0.0 110.797 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -84.22 5.77 25.25 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.108 0.963 . . . . 0.0 112.48 -178.111 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 56.98 32.27 62.34 Favored Glycine 0 CA--C 1.531 1.073 0 CA-C-N 119.097 0.862 . . . . 0.0 112.024 -179.282 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.2 t -108.08 10.91 28.04 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.889 1.275 . . . . 0.0 111.357 -179.398 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 10.6 t80 . . . . . 0 N--CA 1.451 -0.393 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 -179.633 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 62.7 mttp . . . . . 0 N--CA 1.437 -1.095 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.62 -39.96 73.43 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 176.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 22.1 mmt -61.39 -43.29 99.13 Favored 'General case' 0 C--N 1.34 0.188 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 178.208 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 32.3 mmm -57.65 -61.48 2.48 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 177.668 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 64.2 m -44.11 -48.59 9.06 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.607 1.163 . . . . 0.0 109.765 177.059 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -60.13 -44.11 95.16 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 122.346 0.259 . . . . 0.0 111.401 179.06 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.82 -32.15 70.43 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 122.965 0.506 . . . . 0.0 111.861 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 74.8 t -84.01 -39.1 14.51 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 C-N-CA 125.841 1.656 . . . . 0.0 114.409 -175.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.1 pttp -50.83 -26.15 5.39 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 120.08 1.309 . . . . 0.0 114.183 -177.006 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -65.88 -21.7 66.47 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 118.425 0.557 . . . . 0.0 112.321 179.557 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -90.79 -169.67 2.45 Favored 'General case' 0 N--CA 1.441 -0.917 0 CA-C-O 123.855 1.788 . . . . 0.0 111.675 -178.254 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 38.5 m -157.47 158.65 36.15 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 129.016 2.926 . . . . 0.0 107.235 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -27.71 -54.08 0.09 Allowed 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 126.928 2.091 . . . . 0.0 115.194 -177.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -61.1 -48.98 79.16 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 121.392 0.615 . . . . 0.0 110.624 -178.077 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -61.39 -46.15 91.36 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 179.124 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 63.8 mt -57.84 -50.34 73.61 Favored 'General case' 0 C--N 1.34 0.161 0 CA-C-O 120.685 0.279 . . . . 0.0 110.462 179.429 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -56.68 -47.91 78.8 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 122.979 0.511 . . . . 0.0 109.681 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.39 -43.88 96.3 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -178.673 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.514 HD23 ' HA ' ' A' ' 72' ' ' LEU . 10.3 mt -58.98 -49.97 75.86 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 179.342 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.57 -51.2 69.54 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 117.919 0.327 . . . . 0.0 110.556 -178.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -51.33 -45.71 62.38 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 178.214 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -61.56 -61.59 2.42 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 177.714 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.469 ' HA ' HD22 ' A' ' 79' ' ' LEU . 66.8 mtm -47.72 -29.3 2.96 Favored 'General case' 0 C--N 1.342 0.253 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 178.279 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.0 t -56.35 -36.42 68.77 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 121.963 -0.461 . . . . 0.0 110.178 178.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.0 tmtm? -91.79 -42.9 9.84 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 175.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.469 HD22 ' HA ' ' A' ' 76' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.058 0 C-N-CA 128.163 2.585 . . . . 0.0 109.804 -179.197 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 . . . . . 0 N--CA 1.456 -0.171 0 CA-C-O 120.581 0.229 . . . . 0.0 110.561 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -47.19 -51.83 13.96 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 111.346 -0.702 . . . . 0.0 111.346 179.425 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.84 -29.27 54.72 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 179.203 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.21 -42.74 18.56 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 63.3 mt -62.37 -37.37 85.44 Favored 'General case' 0 N--CA 1.436 -1.163 0 C-N-CA 123.131 0.572 . . . . 0.0 109.597 -178.721 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -74.25 -9.54 58.71 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 115.262 1.578 . . . . 0.0 115.262 -178.733 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -53.91 -35.28 61.48 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 120.352 1.433 . . . . 0.0 113.598 -177.314 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 p -75.43 8.61 2.67 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.878 1.271 . . . . 0.0 112.655 178.565 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.2 m -121.8 -35.77 3.14 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 126.307 1.843 . . . . 0.0 108.82 -175.427 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 21.1 mm -45.77 -32.86 1.39 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 126.085 1.754 . . . . 0.0 109.949 175.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -55.66 -38.91 73.91 Favored Glycine 0 CA--C 1.537 1.428 0 O-C-N 121.409 -0.807 . . . . 0.0 112.73 178.157 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 t -94.77 -46.19 7.01 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 117.951 0.876 . . . . 0.0 110.577 -179.067 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -77.31 -23.1 51.05 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 -176.618 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.05 157.94 33.89 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.411 -1.076 . . . . 0.0 110.411 -178.312 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.56 -44.34 25.97 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.551 1.14 . . . . 0.0 111.661 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 56.6 p-10 -100.19 19.88 15.66 Favored 'General case' 0 N--CA 1.438 -1.06 0 C-N-CA 127.792 2.437 . . . . 0.0 113.067 -178.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 49.62 20.74 2.86 Favored Glycine 0 CA--C 1.528 0.865 0 C-N-CA 124.227 0.917 . . . . 0.0 115.282 179.556 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.2 m -95.33 -11.27 28.08 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 117.935 0.867 . . . . 0.0 112.51 -176.719 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -77.81 129.64 35.69 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 107.187 -1.412 . . . . 0.0 107.187 178.298 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.91 86.84 1.0 Allowed 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 107.622 -1.251 . . . . 0.0 107.622 178.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -31.07 113.42 0.11 Allowed 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 127.573 2.349 . . . . 0.0 113.21 -179.29 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 4.5 tpt 30.97 -78.85 0.0 OUTLIER 'General case' 0 C--N 1.344 0.346 0 C-N-CA 130.613 3.565 . . . . 0.0 114.863 176.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -51.96 -35.76 41.1 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 69.1 m 120.83 64.18 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 130.935 3.694 . . . . 0.0 106.496 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.52 149.74 48.07 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 119.302 -0.959 . . . . 0.0 112.82 179.196 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.46 120.68 72.4 Favored Pre-proline 0 N--CA 1.448 -0.557 0 N-CA-C 101.822 -3.399 . . . . 0.0 101.822 173.142 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_exo -30.69 112.98 0.04 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 124.456 3.437 . . . . 0.0 113.613 -177.565 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 24.1 t -60.8 -26.24 37.82 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 179.303 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.2 tptt -51.71 94.87 0.01 OUTLIER 'General case' 0 CA--C 1.518 -0.258 0 C-N-CA 125.32 1.448 . . . . 0.0 113.099 176.27 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 97.57 13.3 44.83 Favored Glycine 0 N--CA 1.449 -0.461 0 CA-C-N 112.888 -1.96 . . . . 0.0 113.072 176.363 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -65.47 151.73 45.66 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 106.017 -1.846 . . . . 0.0 106.017 177.556 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -69.78 132.45 24.35 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 119.943 -1.723 . . . . 0.0 113.19 -176.433 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.32 -47.85 36.54 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 119.801 1.8 . . . . 0.0 111.206 179.064 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -59.98 -42.37 94.05 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.8 tt0 -60.36 -62.2 2.04 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 178.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 41.0 mt -46.83 -46.27 20.72 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 126.596 1.958 . . . . 0.0 110.022 179.523 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -64.4 -54.63 29.8 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 122.898 0.479 . . . . 0.0 111.968 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.4 mtpm? -57.59 -41.47 81.24 Favored 'General case' 0 N--CA 1.429 -1.493 0 CA-C-N 118.933 0.788 . . . . 0.0 110.092 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp -62.26 -50.4 71.84 Favored 'General case' 0 N--CA 1.438 -1.04 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 64.3 mtm -62.81 -37.66 87.63 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 117.711 -1.138 . . . . 0.0 110.661 178.482 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.2 tptt -61.11 -41.78 97.32 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 120.412 1.46 . . . . 0.0 107.452 178.162 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -55.76 -51.26 56.31 Favored Glycine 0 CA--C 1.533 1.206 0 N-CA-C 110.412 -1.075 . . . . 0.0 110.412 176.728 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.403 ' CZ ' ' CE2' ' A' ' 49' ' ' TYR . 15.4 m-85 -68.17 -31.33 70.81 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.066 0.546 . . . . 0.0 111.694 179.241 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.06 -59.93 2.51 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 124.154 0.982 . . . . 0.0 110.511 -177.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -145.16 29.65 1.17 Allowed 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 -175.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -131.42 19.02 4.87 Favored Glycine 0 CA--C 1.527 0.796 0 CA-C-N 119.902 1.228 . . . . 0.0 113.057 -179.387 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.7 t 37.86 40.29 0.27 Allowed 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 127.933 2.493 . . . . 0.0 112.496 179.16 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.403 ' CE2' ' CZ ' ' A' ' 44' ' ' TYR . 1.8 t80 . . . . . 0 C--N 1.333 -0.15 0 N-CA-C 106.651 -1.611 . . . . 0.0 106.651 177.429 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.435 -1.196 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.02 -51.29 68.31 Favored 'General case' 0 CA--C 1.532 0.269 0 O-C-N 120.94 -1.1 . . . . 0.0 109.351 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 26.0 mmt -57.47 -49.86 74.92 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 178.415 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 32.1 mmm -50.51 -53.7 28.01 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.416 1.086 . . . . 0.0 111.749 179.456 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 28.2 m -52.07 -54.98 23.69 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -58.07 -37.55 74.67 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 179.226 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.11 -54.07 39.74 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 123.055 0.542 . . . . 0.0 111.644 -178.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.1 m -80.33 -23.07 11.43 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 C-N-CA 119.613 -0.835 . . . . 0.0 111.734 -174.047 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -49.84 -33.05 15.69 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -177.371 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -76.69 -7.89 56.2 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 -178.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -92.99 178.79 5.64 Favored 'General case' 0 N--CA 1.441 -0.899 0 N-CA-C 107.721 -1.215 . . . . 0.0 107.721 179.459 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.8 m -127.07 157.1 40.54 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 126.984 2.113 . . . . 0.0 109.446 -177.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -39.47 -50.86 2.16 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.176 1.39 . . . . 0.0 114.202 -179.054 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -63.74 -39.39 94.18 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 121.22 0.533 . . . . 0.0 110.21 -178.36 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -67.07 -44.9 78.93 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 179.026 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.5 mt -57.27 -46.23 83.27 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 122.993 0.517 . . . . 0.0 109.91 177.467 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -59.69 -49.51 77.45 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 178.405 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.54 -45.81 88.12 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 -179.534 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.4 mt -54.91 -59.86 4.16 Favored 'General case' 0 N--CA 1.441 -0.906 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 178.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.03 -46.13 78.95 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 117.985 0.357 . . . . 0.0 110.874 -177.653 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -52.45 -47.06 66.65 Favored 'General case' 0 N--CA 1.457 -0.077 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 179.135 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -65.71 -65.21 0.7 Allowed 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 119.103 -0.475 . . . . 0.0 109.883 177.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.1 mtp -46.05 -32.11 2.66 Favored 'General case' 0 C--N 1.34 0.18 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 -179.578 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.6 t -63.38 -35.18 79.54 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 121.699 -0.625 . . . . 0.0 110.266 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 38.2 mmtm -83.05 -48.38 10.67 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 176.316 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.099 0 C-N-CA 128.781 2.832 . . . . 0.0 110.018 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.7 t0 . . . . . 0 CA--C 1.533 0.321 0 CA-C-O 120.915 0.388 . . . . 0.0 111.878 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.52 -44.4 90.56 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 109.938 -1.265 . . . . 0.0 109.938 177.516 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.3 -7.68 20.26 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 112.902 0.704 . . . . 0.0 112.902 179.465 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -99.07 -52.02 3.67 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 106.753 -1.573 . . . . 0.0 106.753 175.485 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 32.7 mt -56.14 -41.25 75.09 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-O 119.0 -0.524 . . . . 0.0 110.952 -179.123 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.439 ' N ' HD21 ' A' ' 72' ' ' LEU . 4.3 t80 -67.96 -16.11 63.91 Favored 'General case' 0 C--N 1.345 0.41 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 -177.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.1 mmpt? -61.29 -25.19 66.94 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 120.761 -1.212 . . . . 0.0 110.458 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.95 -5.89 38.09 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.318 1.047 . . . . 0.0 112.304 177.721 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.9 m -112.38 -36.05 5.39 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 128.034 2.533 . . . . 0.0 110.708 -175.428 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -44.5 -30.25 0.64 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 C-N-CA 126.363 1.865 . . . . 0.0 110.638 177.166 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -50.6 -41.88 43.13 Favored Glycine 0 CA--C 1.536 1.375 0 CA-C-N 118.764 0.711 . . . . 0.0 111.546 176.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.2 m -97.47 -50.22 4.6 Favored 'General case' 0 C--N 1.341 0.235 0 CA-C-N 117.689 0.745 . . . . 0.0 109.927 178.508 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.432 ' CE1' HG21 ' A' ' 29' ' ' VAL . 69.4 m-70 -67.11 -19.25 65.59 Favored 'General case' 0 N--CA 1.433 -1.308 0 C-N-CA 126.701 2.0 . . . . 0.0 115.23 -175.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 83.95 155.69 21.81 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.346 -1.102 . . . . 0.0 110.346 -178.799 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -29.31 -58.69 0.15 Allowed 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 127.37 2.268 . . . . 0.0 113.769 -178.541 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -111.91 41.12 2.0 Favored 'General case' 0 N--CA 1.439 -0.988 0 C-N-CA 126.343 1.857 . . . . 0.0 111.571 -179.285 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 49.63 31.39 15.1 Favored Glycine 0 CA--C 1.531 1.052 0 CA-C-N 118.901 0.773 . . . . 0.0 114.384 178.446 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.6 p -87.73 -31.74 19.51 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 126.213 1.805 . . . . 0.0 112.772 -177.201 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -73.43 137.95 44.9 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 121.484 0.659 . . . . 0.0 109.285 -179.181 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.43 75.82 3.18 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 106.369 -1.715 . . . . 0.0 106.369 178.118 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -21.46 69.52 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 130.921 3.688 . . . . 0.0 119.897 -173.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 24.0 mmt 63.93 -67.27 0.1 Allowed 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 126.505 1.922 . . . . 0.0 109.898 178.739 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.61 36.21 1.83 Allowed Glycine 0 CA--C 1.526 0.763 0 O-C-N 121.493 -0.754 . . . . 0.0 111.855 178.088 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 27.3 m 52.23 49.89 19.58 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 125.997 1.719 . . . . 0.0 111.871 178.317 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.71 136.82 57.8 Favored 'General case' 0 C--N 1.346 0.448 0 C-N-CA 117.399 -1.72 . . . . 0.0 114.102 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -59.67 120.02 45.6 Favored Pre-proline 0 CA--C 1.54 0.59 0 N-CA-C 103.564 -2.754 . . . . 0.0 103.564 174.037 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -26.02 105.73 0.02 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.593 1 C-N-CA 125.501 4.134 . . . . 0.0 114.173 -175.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.432 HG21 ' CE1' ' A' ' 14' ' ' HIS . 47.2 t -61.24 -30.3 47.6 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -58.72 88.45 0.01 OUTLIER 'General case' 0 C--N 1.343 0.288 0 C-N-CA 124.897 1.279 . . . . 0.0 110.75 177.338 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 119.95 -2.53 13.21 Favored Glycine 0 CA--C 1.521 0.427 0 CA-C-N 114.59 -1.186 . . . . 0.0 113.317 177.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -62.36 146.71 50.51 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 106.12 -1.808 . . . . 0.0 106.12 176.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -77.57 143.27 27.91 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 120.844 -1.16 . . . . 0.0 113.947 -175.195 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.98 -48.28 16.56 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 119.621 1.71 . . . . 0.0 111.824 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -59.97 -44.06 94.68 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -59.89 -63.08 1.43 Allowed 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.196 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 42.1 mt -46.29 -48.38 18.12 Favored 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 126.814 2.046 . . . . 0.0 110.187 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -68.93 -49.76 55.24 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 118.882 -0.58 . . . . 0.0 112.049 -179.158 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 66.1 tttp -57.65 -40.19 78.74 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 118.806 0.73 . . . . 0.0 109.38 -179.51 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -67.18 -51.9 47.98 Favored 'General case' 0 N--CA 1.437 -1.119 0 C-N-CA 124.125 0.97 . . . . 0.0 110.257 -178.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 66.7 mtm -63.31 -35.99 82.19 Favored 'General case' 0 C--O 1.219 -0.53 0 CA-C-O 118.57 -0.729 . . . . 0.0 110.068 178.626 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -60.99 -46.98 88.58 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 177.298 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.57 -53.86 30.34 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.221 -1.152 . . . . 0.0 110.221 176.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -63.94 -41.86 97.48 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.23 1.015 . . . . 0.0 111.348 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.83 -50.11 61.52 Favored 'General case' 0 CA--C 1.527 0.092 0 C-N-CA 125.658 1.583 . . . . 0.0 108.434 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -86.5 7.84 24.37 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.515 1.126 . . . . 0.0 112.278 -179.181 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 52.51 34.5 42.67 Favored Glycine 0 CA--C 1.534 1.256 0 CA-C-N 119.204 0.911 . . . . 0.0 112.709 -179.18 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.8 t -118.21 34.77 5.02 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 125.656 1.582 . . . . 0.0 111.24 -178.42 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 27.3 t80 . . . . . 0 N--CA 1.454 -0.241 0 N-CA-C 106.594 -1.632 . . . . 0.0 106.594 179.887 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.0 pttm . . . . . 0 C--O 1.225 -0.215 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.78 -50.99 70.12 Favored 'General case' 0 N--CA 1.457 -0.118 0 O-C-N 122.365 -0.209 . . . . 0.0 110.681 -178.353 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 38.7 mmt -59.76 -43.11 94.46 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 179.089 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 36.2 mmm -57.92 -60.77 3.21 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.232 179.56 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 19.9 m -52.73 -42.16 64.63 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 118.82 0.736 . . . . 0.0 109.679 177.637 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.84 -38.99 90.26 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 119.624 1.102 . . . . 0.0 110.506 178.737 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.78 -36.14 65.02 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.93 0.892 . . . . 0.0 112.318 -178.563 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 53.8 t -87.28 -50.94 13.43 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 C-N-CA 126.671 1.989 . . . . 0.0 114.631 -175.437 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -54.91 -26.68 37.67 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 124.033 0.933 . . . . 0.0 112.975 -176.52 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -70.17 -18.64 63.21 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 118.836 0.743 . . . . 0.0 111.234 178.3 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -89.3 -178.49 5.64 Favored 'General case' 0 N--CA 1.437 -1.078 0 CA-C-O 122.556 1.17 . . . . 0.0 108.878 178.584 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.2 m -122.94 158.58 30.1 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 127.385 2.274 . . . . 0.0 109.46 -178.444 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -42.54 -47.28 5.12 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.873 1.269 . . . . 0.0 112.374 179.573 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -58.87 -49.56 77.32 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.172 0.989 . . . . 0.0 110.003 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -62.06 -44.06 97.5 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 81.3 mt -60.67 -43.43 97.69 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 122.826 0.45 . . . . 0.0 110.307 178.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.53 -45.65 89.61 Favored 'General case' 0 N--CA 1.433 -1.32 0 C-N-CA 123.781 0.832 . . . . 0.0 109.227 178.562 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.66 -45.09 95.53 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 -179.505 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.439 HD21 ' N ' ' A' ' 7' ' ' TYR . 14.3 mt -57.32 -60.47 3.58 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-O 118.891 -0.576 . . . . 0.0 109.708 178.541 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.94 -42.43 72.3 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.31 -177.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -54.45 -52.47 61.75 Favored 'General case' 0 C--N 1.34 0.164 0 N-CA-C 108.469 -0.938 . . . . 0.0 108.469 178.148 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -58.95 -62.03 2.19 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 178.133 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.5 mtp -48.73 -34.67 12.52 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 113.839 1.051 . . . . 0.0 113.839 -179.397 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.9 t -57.8 -30.86 66.04 Favored 'General case' 0 CA--C 1.534 0.362 0 O-C-N 121.48 -0.762 . . . . 0.0 110.02 179.039 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -117.71 42.94 2.5 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.468 1.907 . . . . 0.0 107.589 176.109 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.211 0 C-N-CA 127.739 2.415 . . . . 0.0 112.302 -178.077 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 56.2 t0 . . . . . 0 CA--C 1.514 -0.433 1 N-CA-C 98.406 -4.664 . . . . 0.0 98.406 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 85.41 95.52 0.75 Allowed Glycine 0 N--CA 1.421 -2.337 1 N-CA-C 95.558 -7.017 . . . . 0.0 95.558 -162.32 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 99.95 -30.8 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 128.504 2.722 . . . . 0.0 109.173 -174.78 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -86.15 -36.55 19.47 Favored 'General case' 0 C--N 1.351 0.632 0 CA-C-N 120.525 1.512 . . . . 0.0 108.916 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.41 ' CB ' HD21 ' A' ' 72' ' ' LEU . 62.9 mt -74.86 -37.9 62.09 Favored 'General case' 0 N--CA 1.442 -0.847 0 C-N-CA 118.606 -1.238 . . . . 0.0 108.983 -178.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -62.09 -18.29 60.29 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 -177.466 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? -51.74 -38.67 56.3 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 119.399 0.999 . . . . 0.0 111.289 178.178 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.1 p -66.72 -29.24 69.17 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.7 m -83.9 -35.09 24.35 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 126.841 2.057 . . . . 0.0 109.937 -175.599 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -48.55 -31.87 3.8 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 C-N-CA 125.038 1.335 . . . . 0.0 110.253 178.638 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -52.48 -40.87 55.09 Favored Glycine 0 CA--C 1.534 1.281 0 CA-C-O 119.616 -0.547 . . . . 0.0 112.233 178.07 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 12.8 m -98.36 -47.3 5.47 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 117.898 0.849 . . . . 0.0 110.687 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 55.3 m80 -74.13 -22.07 59.61 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 114.727 1.38 . . . . 0.0 114.727 -175.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.98 151.61 10.57 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.237 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.99 64.32 5.7 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 106.346 -1.724 . . . . 0.0 106.346 176.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.1 p30 179.6 -16.81 0.0 OUTLIER 'General case' 0 N--CA 1.437 -1.105 0 C-N-CA 130.098 3.359 . . . . 0.0 111.958 -174.47 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 56.56 19.4 26.98 Favored Glycine 0 C--N 1.342 0.908 0 CA-C-N 119.367 0.985 . . . . 0.0 113.694 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.3 m -104.73 -19.48 13.92 Favored 'General case' 0 N--CA 1.445 -0.695 0 C-N-CA 125.671 1.588 . . . . 0.0 109.971 -178.515 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -67.49 112.17 4.52 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 105.864 -1.902 . . . . 0.0 105.864 177.28 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.62 86.09 0.2 Allowed 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 -179.606 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -43.53 130.25 5.19 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 125.27 1.428 . . . . 0.0 113.572 -176.527 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 24.8 mmt 24.28 -79.7 0.0 OUTLIER 'General case' 0 C--N 1.342 0.275 0 C-N-CA 130.867 3.667 . . . . 0.0 114.871 179.278 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -52.91 -40.42 57.62 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 111.56 -0.616 . . . . 0.0 111.56 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 71.0 m 126.78 62.85 0.0 OUTLIER 'General case' 0 C--O 1.232 0.163 0 C-N-CA 131.7 4.0 . . . . 0.0 107.633 179.308 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.19 128.41 33.79 Favored 'General case' 0 C--N 1.345 0.388 0 C-N-CA 119.323 -0.951 . . . . 0.0 112.551 179.58 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.4 mmtm -64.64 120.61 67.32 Favored Pre-proline 0 N--CA 1.45 -0.435 0 N-CA-C 103.799 -2.667 . . . . 0.0 103.799 176.623 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 0.5 OUTLIER -19.5 97.92 0.01 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.698 1 C-N-CA 126.22 4.613 . . . . 0.0 115.1 -175.895 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.6 t -56.93 -30.22 33.0 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 N-CA-C 107.57 -1.271 . . . . 0.0 107.57 178.482 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -42.88 90.86 0.0 OUTLIER 'General case' 0 C--N 1.344 0.351 0 C-N-CA 126.688 1.995 . . . . 0.0 113.792 177.546 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 68.58 42.3 81.25 Favored Glycine 0 N--CA 1.443 -0.846 0 CA-C-N 113.327 -1.76 . . . . 0.0 110.258 177.729 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.475 ' HB2' HD21 ' A' ' 37' ' ' LEU . 1.6 mt-30 -52.71 -41.46 63.96 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 178.51 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -173.67 -108.36 0.21 Allowed Glycine 0 CA--C 1.534 1.234 0 C-N-CA 127.317 2.389 . . . . 0.0 108.181 173.402 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 173.9 -57.87 0.01 OUTLIER 'General case' 0 CA--C 1.515 -0.369 0 C-N-CA 131.391 3.876 . . . . 0.0 101.806 176.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.1 tp10 -64.4 -42.13 96.27 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 105.797 -1.927 . . . . 0.0 105.797 173.284 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -57.58 -65.75 0.58 Allowed 'General case' 0 C--N 1.344 0.331 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 177.634 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.475 HD21 ' HB2' ' A' ' 32' ' ' GLN . 29.1 mt -44.51 -47.51 10.12 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.692 1.597 . . . . 0.0 110.946 179.048 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -62.79 -53.7 50.34 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 124.171 0.988 . . . . 0.0 111.395 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -58.24 -40.33 81.48 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 -179.507 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 65.3 mmtt -63.12 -52.8 61.13 Favored 'General case' 0 N--CA 1.441 -0.905 0 C-N-CA 123.767 0.827 . . . . 0.0 109.37 -179.337 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 66.2 mtm -64.72 -36.64 84.95 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-O 118.263 -0.875 . . . . 0.0 111.029 178.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -60.29 -43.67 96.07 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 106.638 -1.615 . . . . 0.0 106.638 177.591 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -55.21 -53.4 40.86 Favored Glycine 0 CA--C 1.528 0.902 0 N-CA-C 110.191 -1.164 . . . . 0.0 110.191 176.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -61.17 -46.83 88.9 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 118.515 1.157 . . . . 0.0 110.031 179.23 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.24 -43.49 61.5 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 125.678 1.591 . . . . 0.0 109.712 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -93.47 7.89 42.79 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.893 0.877 . . . . 0.0 112.101 -178.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 53.82 32.08 47.46 Favored Glycine 0 CA--C 1.532 1.151 0 C-N-CA 124.304 0.954 . . . . 0.0 112.474 -178.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.2 t -118.3 33.86 5.45 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.613 1.565 . . . . 0.0 111.458 -178.1 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 35.9 t80 . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 106.618 -1.623 . . . . 0.0 106.618 179.768 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.225 -0.236 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.42 -54.08 48.22 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 118.267 0.485 . . . . 0.0 109.986 -179.404 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 26.6 mmt -59.17 -48.41 81.7 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 108.534 -0.914 . . . . 0.0 108.534 179.511 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 22.4 mmm -55.74 -51.23 68.07 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 120.971 0.415 . . . . 0.0 111.103 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 89.5 m -56.9 -49.7 74.76 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 178.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -56.95 -35.68 69.38 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 118.444 0.565 . . . . 0.0 110.301 178.811 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.55 -38.75 77.58 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 118.152 -0.928 . . . . 0.0 112.878 -178.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.9 m -98.13 -35.0 4.88 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-N 119.5 1.046 . . . . 0.0 113.535 -176.587 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 41.1 tttp -68.06 70.93 0.16 Allowed 'General case' 0 C--N 1.341 0.239 0 C-N-CA 126.342 1.857 . . . . 0.0 110.887 -176.734 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -169.56 -34.71 0.02 OUTLIER 'General case' 0 N--CA 1.44 -0.938 0 C-N-CA 129.399 3.08 . . . . 0.0 107.841 -179.132 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -78.86 171.38 15.26 Favored 'General case' 0 N--CA 1.433 -1.304 0 CA-C-O 122.93 1.348 . . . . 0.0 108.648 178.089 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 99.0 p -108.77 166.48 10.77 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 128.045 2.538 . . . . 0.0 109.706 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -48.81 -48.23 41.6 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.395 0.678 . . . . 0.0 111.932 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -58.34 -52.43 65.64 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.071 0.548 . . . . 0.0 109.809 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -59.11 -42.2 89.95 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 123.242 0.617 . . . . 0.0 110.613 179.649 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 40.7 mt -60.28 -46.88 88.28 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 177.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.6 tmtt? -59.76 -43.45 94.32 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 178.124 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.88 -48.2 82.24 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.72 0.808 . . . . 0.0 109.467 179.53 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' A' ' 72' ' ' LEU . 13.1 mt -57.93 -52.27 66.17 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-O 119.32 -0.372 . . . . 0.0 110.862 178.718 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.23 -48.12 82.79 Favored 'General case' 0 N--CA 1.454 -0.273 0 O-C-N 123.121 0.263 . . . . 0.0 110.422 -177.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -53.67 -44.77 69.95 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 177.139 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -64.95 -53.87 39.59 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 120.105 -0.638 . . . . 0.0 109.645 178.693 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 53.4 mtm -48.34 -38.89 20.33 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 119.405 1.002 . . . . 0.0 111.481 176.735 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.9 t -54.75 -30.11 55.54 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.231 -0.918 . . . . 0.0 110.676 177.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -99.75 32.36 2.89 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 126.38 1.872 . . . . 0.0 111.997 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 25.1 mt . . . . . 0 C--O 1.249 1.067 0 CA-C-O 117.717 -1.135 . . . . 0.0 108.513 174.284 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.427 ' HB3' ' HB3' ' A' ' 5' ' ' ALA . 12.3 t70 . . . . . 0 CA--C 1.529 0.162 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.3 -54.64 35.53 Favored Glycine 0 CA--C 1.527 0.838 0 N-CA-C 111.802 -0.519 . . . . 0.0 111.802 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.66 -46.98 74.1 Favored 'General case' 0 N--CA 1.457 -0.108 0 CA-C-N 117.633 0.716 . . . . 0.0 111.176 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.427 ' HB3' ' HB3' ' A' ' 2' ' ' ASP . . . -61.95 -52.36 64.35 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 -179.721 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 70.8 mt -53.09 -48.45 67.76 Favored 'General case' 0 N--CA 1.441 -0.913 0 CA-C-N 118.284 0.493 . . . . 0.0 110.584 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -60.63 -17.42 47.08 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 -177.488 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -56.83 -35.0 68.31 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 119.904 1.229 . . . . 0.0 109.567 177.532 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.45 -7.0 21.93 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.526 1.131 . . . . 0.0 112.799 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.5 m -115.23 -36.62 4.3 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 127.563 2.345 . . . . 0.0 110.739 -175.576 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.2 tp -46.5 -31.39 1.46 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 C-N-CA 125.786 1.634 . . . . 0.0 111.405 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -53.0 -42.45 60.79 Favored Glycine 0 CA--C 1.535 1.285 0 N-CA-C 111.58 -0.608 . . . . 0.0 111.58 177.601 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.0 m -92.56 -46.0 7.83 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 117.491 0.646 . . . . 0.0 110.05 178.784 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.497 ' CE1' HG21 ' A' ' 29' ' ' VAL . 86.1 m-70 -69.65 -21.59 63.53 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 115.64 1.719 . . . . 0.0 115.64 -175.39 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.57 149.2 11.76 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 109.501 -1.439 . . . . 0.0 109.501 -178.341 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.84 67.24 2.86 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 121.876 0.846 . . . . 0.0 110.046 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.6 p30 169.39 -10.34 0.0 OUTLIER 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 131.178 3.791 . . . . 0.0 112.802 -178.288 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 55.22 22.82 30.93 Favored Glycine 0 CA--C 1.53 0.987 0 CA-C-N 119.75 1.159 . . . . 0.0 111.859 -177.446 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.0 m -110.36 -24.48 10.61 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 125.783 1.633 . . . . 0.0 110.346 -178.499 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -78.32 70.76 4.72 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 179.211 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -11.55 93.23 0.01 OUTLIER 'General case' 0 C--N 1.342 0.275 0 C-N-CA 129.281 3.032 . . . . 0.0 111.925 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -43.51 132.52 4.7 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 114.311 1.226 . . . . 0.0 114.311 -175.042 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 26.3 mmt 16.99 -77.04 0.0 OUTLIER 'General case' 0 C--N 1.343 0.305 0 C-N-CA 130.272 3.429 . . . . 0.0 113.527 179.356 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.1 40.94 1.25 Allowed Glycine 0 CA--C 1.533 1.184 0 CA-C-N 118.722 0.692 . . . . 0.0 112.334 178.121 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.6 m 49.96 54.5 10.96 Favored 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 126.731 2.012 . . . . 0.0 111.541 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.29 140.8 43.77 Favored 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -59.35 119.37 38.7 Favored Pre-proline 0 N--CA 1.452 -0.374 0 N-CA-C 103.567 -2.753 . . . . 0.0 103.567 175.061 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_exo -29.47 102.05 0.02 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 124.8 3.666 . . . . 0.0 113.456 -177.201 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.497 HG21 ' CE1' ' A' ' 14' ' ' HIS . 61.8 t -57.03 -29.47 31.56 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 51.5 tptt -40.68 91.79 0.0 OUTLIER 'General case' 0 C--N 1.341 0.207 0 C-N-CA 128.368 2.667 . . . . 0.0 113.122 175.031 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 64.05 44.08 96.37 Favored Glycine 0 N--CA 1.444 -0.81 0 CA-C-N 112.137 -2.301 . . . . 0.0 109.892 178.166 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -53.9 -42.36 68.61 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 179.331 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.32 -109.01 0.24 Allowed Glycine 0 CA--C 1.531 1.088 0 C-N-CA 127.734 2.588 . . . . 0.0 107.563 173.246 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 178.71 -60.26 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 130.555 3.542 . . . . 0.0 101.949 176.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.4 tp10 -63.82 -39.54 94.47 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 105.552 -2.018 . . . . 0.0 105.552 173.029 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -57.18 -64.36 0.91 Allowed 'General case' 0 C--N 1.343 0.318 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 177.156 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 17.1 mt -47.53 -44.56 25.87 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.245 1.418 . . . . 0.0 111.128 179.332 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -65.84 -50.33 64.96 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 123.127 0.571 . . . . 0.0 111.101 179.544 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -58.5 -41.1 84.6 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.542 0.737 . . . . 0.0 109.128 179.401 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -62.22 -53.82 49.77 Favored 'General case' 0 N--CA 1.439 -0.997 0 C-N-CA 123.994 0.918 . . . . 0.0 109.072 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 56.7 mtm -60.1 -50.12 74.97 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-O 117.898 -1.049 . . . . 0.0 110.021 178.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -51.72 -42.17 62.07 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 119.772 1.169 . . . . 0.0 108.625 178.701 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -53.11 -48.68 58.22 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 110.172 -1.171 . . . . 0.0 110.172 176.636 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -70.32 -54.48 12.41 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 120.747 -1.443 . . . . 0.0 109.231 178.364 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -38.38 -56.73 1.21 Allowed 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 129.289 3.036 . . . . 0.0 111.42 -178.476 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -146.57 29.67 1.02 Allowed 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 113.45 0.908 . . . . 0.0 113.45 -175.48 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -145.84 21.4 1.8 Allowed Glycine 0 CA--C 1.529 0.909 0 CA-C-N 120.435 1.471 . . . . 0.0 113.924 -179.105 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 24.2 t 39.82 43.42 1.19 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 127.566 2.346 . . . . 0.0 112.89 179.313 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 27.4 t80 . . . . . 0 CA--C 1.533 0.323 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 175.883 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.3 pttt . . . . . 0 N--CA 1.455 -0.225 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.46 -50.94 65.51 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.447 0.699 . . . . 0.0 110.716 -178.553 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -59.43 -44.15 92.96 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 179.201 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 27.2 mmm -57.91 -58.98 6.02 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.839 178.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 64.1 m -51.43 -41.36 60.75 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 123.703 0.801 . . . . 0.0 110.135 177.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -62.63 -48.8 77.79 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 119.801 1.182 . . . . 0.0 110.186 178.056 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.09 -34.73 75.4 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 123.979 0.912 . . . . 0.0 112.471 -179.046 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 61.1 t -88.69 -50.83 13.08 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 C-N-CA 125.805 1.642 . . . . 0.0 114.625 -175.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 34.3 ttmt -54.85 -27.51 42.92 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.456 1.103 . . . . 0.0 112.599 -177.046 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.0 ptpp? -66.94 -19.74 65.78 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 118.545 0.611 . . . . 0.0 111.091 177.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -96.71 -176.99 3.76 Favored 'General case' 0 N--CA 1.438 -1.04 0 C-N-CA 125.048 1.339 . . . . 0.0 108.884 178.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.3 t -132.54 167.98 19.04 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 125.839 1.656 . . . . 0.0 109.812 178.599 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.8 p-10 -35.96 -51.22 0.71 Allowed 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 127.202 2.201 . . . . 0.0 113.264 -179.618 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -60.59 -54.25 47.72 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.127 0.571 . . . . 0.0 109.796 -178.662 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.3 mp0 -55.99 -46.94 78.52 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.325 0.65 . . . . 0.0 109.626 178.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.4 mt -60.55 -47.47 86.05 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 117.861 0.3 . . . . 0.0 110.761 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -63.27 -40.21 96.75 Favored 'General case' 0 N--CA 1.452 -0.334 0 O-C-N 121.937 -0.477 . . . . 0.0 110.125 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.07 -44.51 84.27 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.9 mt -56.94 -59.56 4.87 Favored 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 178.14 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -50.77 -50.23 56.41 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 123.596 0.56 . . . . 0.0 110.588 -178.495 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -53.11 -45.18 68.15 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 176.737 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 47.1 t80 -65.17 -53.48 44.28 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 118.074 -0.965 . . . . 0.0 109.641 177.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.8 mpp? -48.66 -36.08 15.22 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 120.454 1.479 . . . . 0.0 111.722 177.154 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.7 t -54.93 -31.05 59.97 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 121.233 -0.917 . . . . 0.0 110.546 177.351 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 38.0 mmtm -96.71 29.44 2.99 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.061 1.744 . . . . 0.0 111.864 179.206 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 27.8 mt . . . . . 0 C--O 1.25 1.104 0 CA-C-O 117.128 -1.415 . . . . 0.0 108.589 174.635 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -47.19 -49.79 18.12 Favored Glycine 0 CA--C 1.528 0.894 0 C-N-CA 123.285 0.469 . . . . 0.0 112.102 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.22 -28.94 44.37 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.437 0.695 . . . . 0.0 112.614 179.29 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.04 -22.73 42.02 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-O 119.199 -0.429 . . . . 0.0 110.383 -178.728 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.438 ' CB ' HD13 ' A' ' 72' ' ' LEU . 7.2 mt -90.5 -29.32 17.98 Favored 'General case' 0 N--CA 1.438 -1.067 0 N-CA-C 106.042 -1.836 . . . . 0.0 106.042 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.444 ' CE1' ' SD ' ' A' ' 76' ' ' MET . 0.8 OUTLIER -69.87 -12.99 62.04 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 178.486 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -51.99 -43.89 63.82 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 121.139 -0.976 . . . . 0.0 111.21 179.271 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.02 -5.85 7.28 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.08 1.352 . . . . 0.0 113.428 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.2 m -113.27 -37.76 4.62 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 127.546 2.338 . . . . 0.0 110.862 -174.74 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -46.49 -27.84 0.85 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 C-N-CA 125.826 1.65 . . . . 0.0 110.631 178.042 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -56.21 -48.49 74.22 Favored Glycine 0 CA--C 1.538 1.515 0 O-C-N 121.263 -0.898 . . . . 0.0 111.545 176.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.8 m -88.54 -39.92 13.79 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 117.854 0.827 . . . . 0.0 110.761 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -80.41 -19.26 46.6 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 -176.217 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 86.54 157.46 30.19 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.353 -1.099 . . . . 0.0 110.353 -178.694 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -30.94 -58.73 0.22 Allowed 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 127.06 2.144 . . . . 0.0 113.9 -178.394 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -112.41 35.7 3.7 Favored 'General case' 0 N--CA 1.442 -0.855 0 C-N-CA 125.813 1.645 . . . . 0.0 111.836 -179.07 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 56.56 24.94 49.04 Favored Glycine 0 CA--C 1.532 1.094 0 N-CA-C 116.763 1.465 . . . . 0.0 116.763 177.393 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 59.3 m -80.18 -27.77 38.86 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 118.206 1.003 . . . . 0.0 113.57 -178.763 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt -71.09 134.92 47.42 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 119.259 0.936 . . . . 0.0 110.694 -178.001 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.71 75.91 2.69 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 105.83 -1.915 . . . . 0.0 105.83 176.157 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -29.27 120.86 0.14 Allowed 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 126.741 2.016 . . . . 0.0 114.913 -175.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 90.9 mmm 16.83 -67.8 0.0 OUTLIER 'General case' 0 C--N 1.345 0.393 1 C-N-CA 132.587 4.355 . . . . 0.0 115.615 179.182 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -52.54 -28.82 30.26 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 123.387 0.517 . . . . 0.0 111.942 178.431 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 33.5 m 111.03 56.92 0.0 OUTLIER 'General case' 0 CA--C 1.523 -0.07 0 C-N-CA 131.62 3.968 . . . . 0.0 106.227 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.03 148.05 50.64 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 114.028 1.121 . . . . 0.0 114.028 -177.53 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.11 120.2 72.74 Favored Pre-proline 0 N--CA 1.451 -0.411 0 N-CA-C 101.583 -3.488 . . . . 0.0 101.583 173.087 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_exo -30.81 108.17 0.04 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 124.369 3.379 . . . . 0.0 112.672 -177.245 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 41.3 t -55.81 -32.96 33.31 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 -179.144 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.433 ' HA ' HD23 ' A' ' 79' ' ' LEU . 51.9 tttp -56.73 97.4 0.02 OUTLIER 'General case' 0 C--N 1.343 0.312 0 CA-C-O 122.423 1.106 . . . . 0.0 111.396 177.492 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 114.57 -3.86 23.2 Favored Glycine 0 C--N 1.32 -0.345 0 CA-C-N 114.295 -1.321 . . . . 0.0 113.03 177.169 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -63.42 147.09 52.19 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 106.556 -1.646 . . . . 0.0 106.556 177.478 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -77.31 141.28 25.67 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 120.755 -1.215 . . . . 0.0 114.186 -174.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.78 -48.68 10.91 Favored 'General case' 0 C--N 1.341 0.231 0 CA-C-N 119.605 1.703 . . . . 0.0 112.169 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.3 tp10 -60.9 -43.41 98.58 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -60.59 -60.23 4.14 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 124.568 1.147 . . . . 0.0 108.348 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 40.0 mt -47.97 -50.7 26.43 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 127.025 2.13 . . . . 0.0 109.592 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -64.99 -52.21 57.46 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 123.498 0.719 . . . . 0.0 112.288 -179.086 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -58.14 -40.79 82.25 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-O 121.565 0.698 . . . . 0.0 109.421 -178.587 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -68.77 -47.03 67.23 Favored 'General case' 0 N--CA 1.438 -1.036 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.434 -178.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 55.7 mtm -64.69 -35.1 79.94 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.001 178.331 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -60.95 -44.72 96.88 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 106.422 -1.696 . . . . 0.0 106.422 176.526 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -55.72 -53.27 42.84 Favored Glycine 0 CA--C 1.529 0.937 0 CA-C-O 119.087 -0.84 . . . . 0.0 111.278 177.215 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.401 ' CZ ' ' CE2' ' A' ' 49' ' ' TYR . 25.0 m-85 -62.13 -47.83 82.83 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 118.722 1.261 . . . . 0.0 109.548 179.661 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.32 -45.6 54.89 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 125.653 1.581 . . . . 0.0 109.858 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -90.5 6.56 42.98 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.634 0.774 . . . . 0.0 112.258 -178.254 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 54.63 32.96 54.35 Favored Glycine 0 CA--C 1.532 1.114 0 CA-C-N 118.976 0.807 . . . . 0.0 112.249 -178.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.6 t -111.73 17.96 19.39 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.234 1.414 . . . . 0.0 111.716 -178.795 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.401 ' CE2' ' CZ ' ' A' ' 44' ' ' TYR . 8.7 t80 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 105.58 -2.008 . . . . 0.0 105.58 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.418 ' HA ' ' HB2' ' A' ' 57' ' ' MET . 28.8 mtmt . . . . . 0 N--CA 1.432 -1.336 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.97 -48.42 45.21 Favored 'General case' 0 C--O 1.232 0.165 0 N-CA-C 106.592 -1.632 . . . . 0.0 106.592 176.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.5 mpp? -55.42 -46.84 76.65 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 177.04 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.418 ' HB2' ' HA ' ' A' ' 54' ' ' LYS . 38.5 mmm -52.91 -57.36 10.54 Favored 'General case' 0 CA--C 1.517 -0.325 0 C-N-CA 124.23 1.012 . . . . 0.0 110.556 178.166 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 97.6 m -48.89 -53.78 18.1 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 179.356 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -56.74 -36.33 69.63 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 122.714 0.406 . . . . 0.0 111.192 178.048 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.35 -43.76 63.59 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 123.853 0.861 . . . . 0.0 112.863 -177.055 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.2 m -91.12 -26.79 5.04 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 CA-C-N 119.051 0.841 . . . . 0.0 111.814 -175.447 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -54.16 -27.33 32.99 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 119.256 0.934 . . . . 0.0 112.386 -177.341 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -77.61 -1.67 32.03 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 118.927 -0.559 . . . . 0.0 112.22 178.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 18.0 m-30 -110.07 149.13 30.46 Favored 'General case' 0 N--CA 1.442 -0.856 0 C-N-CA 126.289 1.836 . . . . 0.0 107.061 178.473 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 92.0 p -97.96 167.18 11.06 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 126.858 2.063 . . . . 0.0 110.286 -179.327 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -45.08 -48.1 11.92 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.196 0.998 . . . . 0.0 113.125 -179.504 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -60.27 -49.36 77.93 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 121.149 0.5 . . . . 0.0 110.085 -179.399 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -60.31 -50.97 71.51 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 46.6 mt -54.47 -49.33 70.33 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 124.398 1.079 . . . . 0.0 110.587 179.113 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -57.84 -45.88 85.58 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.07 -44.55 95.47 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 179.174 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' A' ' 72' ' ' LEU . 12.0 tp -56.8 -51.24 69.7 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 123.76 0.824 . . . . 0.0 109.504 -179.561 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.11 -45.31 89.21 Favored 'General case' 0 C--O 1.226 -0.159 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -50.97 -46.25 61.13 Favored 'General case' 0 C--N 1.34 0.182 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 178.575 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -63.2 -62.63 1.56 Allowed 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 177.476 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.48 ' HA ' HD22 ' A' ' 79' ' ' LEU . 70.6 mtm -48.47 -30.17 4.87 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.1 t -59.71 -34.44 72.92 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 121.792 -0.567 . . . . 0.0 110.439 -179.672 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.4 pttm -97.13 -35.52 10.77 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 176.512 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.48 HD22 ' HA ' ' A' ' 76' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.134 0 C-N-CA 128.54 2.736 . . . . 0.0 110.929 178.555 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 . . . . . 0 CA--C 1.534 0.362 0 N-CA-C 106.562 -1.644 . . . . 0.0 106.562 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 75.61 78.12 0.68 Allowed Glycine 0 N--CA 1.441 -0.998 1 N-CA-C 101.116 -4.793 . . . . 0.0 101.116 -171.253 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 122.5 -38.58 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 130.615 3.566 . . . . 0.0 107.565 -174.026 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -84.79 -22.45 29.56 Favored 'General case' 0 C--N 1.346 0.45 0 C-N-CA 119.204 -0.998 . . . . 0.0 109.882 -177.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.438 ' C ' HD21 ' A' ' 72' ' ' LEU . 32.7 mt -83.29 -31.71 26.76 Favored 'General case' 0 N--CA 1.44 -0.953 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -179.403 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.481 ' HD1' HD22 ' A' ' 72' ' ' LEU . 1.8 t80 -79.82 -12.93 59.74 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 115.344 1.609 . . . . 0.0 115.344 -178.369 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -46.38 -40.41 11.97 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -177.381 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.3 p -70.57 -42.14 71.47 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 122.042 0.925 . . . . 0.0 111.8 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.8 m -62.74 -36.3 82.57 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 126.692 1.997 . . . . 0.0 108.937 -176.467 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -48.74 -30.97 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.591 0 CA-C-N 114.449 -1.25 . . . . 0.0 110.387 178.248 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -58.81 -37.05 89.69 Favored Glycine 0 CA--C 1.532 1.154 0 CA-C-O 119.43 -0.65 . . . . 0.0 113.102 179.303 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.9 t -96.33 -40.84 8.93 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 118.337 1.068 . . . . 0.0 110.893 -178.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.429 ' CE1' HG21 ' A' ' 29' ' ' VAL . 81.5 m-70 -80.09 -17.96 51.24 Favored 'General case' 0 N--CA 1.432 -1.37 0 C-N-CA 126.474 1.91 . . . . 0.0 114.562 -176.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.78 156.75 21.17 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.095 -1.202 . . . . 0.0 110.095 -179.217 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.25 -51.21 6.28 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.878 1.271 . . . . 0.0 112.432 -179.142 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -93.61 10.01 34.47 Favored 'General case' 0 N--CA 1.441 -0.895 0 C-N-CA 126.139 1.776 . . . . 0.0 113.892 -178.263 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 68.96 7.77 56.79 Favored Glycine 0 CA--C 1.529 0.928 0 CA-C-O 118.592 -1.115 . . . . 0.0 115.041 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.6 m -90.52 -11.2 40.89 Favored 'General case' 0 C--N 1.339 0.116 0 CA-C-N 118.902 1.351 . . . . 0.0 112.645 -178.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -71.87 118.68 15.02 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 106.154 -1.795 . . . . 0.0 106.154 179.093 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.98 84.03 0.32 Allowed 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 179.097 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.46 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -32.39 125.07 0.31 Allowed 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 128.587 2.755 . . . . 0.0 110.781 178.693 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 87.8 mmm 5.9 -70.98 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 129.732 3.213 . . . . 0.0 114.724 -177.277 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.74 41.98 0.86 Allowed Glycine 0 CA--C 1.537 1.461 0 CA-C-N 118.792 0.723 . . . . 0.0 112.638 178.029 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 34.8 m 50.24 55.67 9.1 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 127.246 2.219 . . . . 0.0 111.994 179.431 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.46 ' HB2' ' HB3' ' A' ' 22' ' ' ALA . . . -61.79 148.76 42.07 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 117.161 -1.816 . . . . 0.0 112.418 178.738 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.73 153.54 93.25 Favored Pre-proline 0 N--CA 1.445 -0.705 0 N-CA-C 103.494 -2.78 . . . . 0.0 103.494 174.173 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -52.69 114.69 1.81 Allowed 'Trans proline' 0 N--CA 1.454 -0.851 0 C-N-CA 121.438 1.425 . . . . 0.0 108.93 -179.641 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.429 HG21 ' CE1' ' A' ' 14' ' ' HIS . 52.1 t -66.36 -25.11 34.6 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 N-CA-C 107.888 -1.152 . . . . 0.0 107.888 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 51.0 tttp -43.7 86.23 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 127.451 2.3 . . . . 0.0 114.285 177.676 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 73.66 44.18 33.26 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-N 113.317 -1.765 . . . . 0.0 110.572 178.616 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.498 ' HB2' HD21 ' A' ' 37' ' ' LEU . 2.0 tt0 -51.22 -41.91 60.61 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 179.424 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -179.32 -107.25 0.21 Allowed Glycine 0 CA--C 1.534 1.224 0 C-N-CA 127.862 2.648 . . . . 0.0 108.133 172.696 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 172.46 -58.75 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 130.929 3.692 . . . . 0.0 102.322 176.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -63.57 -42.53 98.31 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 105.374 -2.084 . . . . 0.0 105.374 172.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -55.03 -67.0 0.31 Allowed 'General case' 0 C--N 1.342 0.281 0 C-N-CA 124.895 1.278 . . . . 0.0 108.529 177.268 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.498 HD21 ' HB2' ' A' ' 32' ' ' GLN . 39.0 mt -44.7 -49.2 10.58 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 126.154 1.781 . . . . 0.0 110.725 179.336 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -63.76 -52.27 61.14 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 123.639 0.776 . . . . 0.0 112.101 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -58.34 -41.48 84.71 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 -178.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -66.48 -49.68 65.8 Favored 'General case' 0 N--CA 1.438 -1.043 0 C-N-CA 123.382 0.673 . . . . 0.0 110.669 -178.629 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 61.3 mtm -64.1 -39.83 94.9 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-O 118.163 -0.922 . . . . 0.0 110.161 178.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -58.9 -43.19 90.97 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 106.76 -1.57 . . . . 0.0 106.76 176.624 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.01 -55.97 18.74 Favored Glycine 0 CA--C 1.528 0.856 0 N-CA-C 109.775 -1.33 . . . . 0.0 109.775 176.722 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -63.66 -47.03 82.91 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 118.683 1.241 . . . . 0.0 110.856 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -46.41 -50.47 16.64 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 126.177 1.791 . . . . 0.0 109.694 -179.397 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -92.05 14.02 17.12 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.631 1.173 . . . . 0.0 112.745 -178.577 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 52.17 33.52 38.13 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 124.6 1.095 . . . . 0.0 113.53 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.0 t -115.32 29.42 8.02 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.95 1.7 . . . . 0.0 111.641 -178.74 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 56.4 t80 . . . . . 0 C--O 1.232 0.134 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 178.81 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.168 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.76 -58.24 8.15 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 118.633 0.651 . . . . 0.0 109.744 -178.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.15 -48.64 78.21 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 178.842 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.2 mmm -54.36 -50.51 67.28 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 81.7 m -58.01 -48.87 78.75 Favored 'General case' 0 N--CA 1.452 -0.343 0 O-C-N 121.424 -0.797 . . . . 0.0 109.218 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -58.31 -37.09 74.37 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 178.506 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.19 -46.17 85.11 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 123.764 0.826 . . . . 0.0 112.219 -179.175 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.4 m -96.53 -26.2 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -174.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -57.66 -24.15 55.11 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 119.849 1.204 . . . . 0.0 112.314 -176.343 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.9 pttp -74.74 -2.17 25.24 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 119.089 -0.481 . . . . 0.0 111.508 177.34 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.416 ' CE2' HD11 ' A' ' 72' ' ' LEU . 17.6 m-85 -113.23 147.84 36.71 Favored 'General case' 0 N--CA 1.439 -1.002 0 C-N-CA 126.299 1.839 . . . . 0.0 108.311 179.107 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 91.2 p -97.92 167.31 10.99 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 127.558 2.343 . . . . 0.0 110.193 -179.713 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -40.69 -50.41 3.08 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.723 1.209 . . . . 0.0 113.485 -179.476 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -63.0 -47.2 84.17 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 121.055 0.455 . . . . 0.0 110.618 -178.335 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -61.28 -44.82 96.59 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 45.5 mt -59.83 -45.76 91.36 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.638 0.775 . . . . 0.0 109.411 178.442 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -60.57 -45.01 95.53 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.689 -0.632 . . . . 0.0 109.599 178.481 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.01 -45.32 95.31 Favored 'General case' 0 CA--C 1.521 -0.152 0 C-N-CA 123.497 0.719 . . . . 0.0 109.171 179.197 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.481 HD22 ' HD1' ' A' ' 7' ' ' TYR . 12.5 mt -58.94 -51.62 69.26 Favored 'General case' 0 N--CA 1.442 -0.845 0 O-C-N 122.303 -0.248 . . . . 0.0 111.039 178.643 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.0 -48.7 80.63 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 -178.195 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -53.06 -45.64 68.18 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 176.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 55.0 t80 -60.35 -59.85 4.75 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 178.677 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 56.7 mtm -49.34 -32.72 11.83 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.417 0.687 . . . . 0.0 112.543 177.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.1 t -56.96 -34.02 67.63 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 121.255 -0.903 . . . . 0.0 110.508 177.645 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? -113.59 44.78 1.53 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.11 1.364 . . . . 0.0 108.71 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 27.2 tp . . . . . 0 C--O 1.25 1.089 0 C-N-CA 125.19 1.396 . . . . 0.0 110.524 178.566 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.4 t70 . . . . . 0 CA--C 1.529 0.167 0 CA-C-O 120.598 0.237 . . . . 0.0 111.236 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.52 -60.45 7.81 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 109.899 -1.281 . . . . 0.0 109.899 179.22 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -48.0 -46.78 33.23 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 117.522 0.661 . . . . 0.0 111.274 -179.543 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.53 -38.62 69.49 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-O 119.47 -0.3 . . . . 0.0 111.803 -179.505 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.426 ' HB2' HD21 ' A' ' 72' ' ' LEU . 67.5 mt -75.69 -50.99 13.74 Favored 'General case' 0 N--CA 1.435 -1.203 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 178.732 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.435 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 2.6 t80 -57.12 -22.6 41.12 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 -178.066 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -49.21 -34.86 15.73 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 119.232 0.924 . . . . 0.0 111.34 177.241 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.5 p -66.75 -34.48 77.92 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 121.453 -0.779 . . . . 0.0 112.518 179.122 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.435 ' SG ' ' HA ' ' A' ' 7' ' ' TYR . 3.7 m -76.87 -35.64 57.3 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 127.619 2.368 . . . . 0.0 109.875 -175.147 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -45.44 -32.37 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 C-N-CA 125.412 1.485 . . . . 0.0 111.397 179.475 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -53.93 -49.19 59.71 Favored Glycine 0 CA--C 1.533 1.159 0 N-CA-C 111.643 -0.583 . . . . 0.0 111.643 178.345 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.5 m -86.36 -42.64 13.5 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 117.585 0.692 . . . . 0.0 109.76 179.532 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 55.2 m80 -66.92 -21.34 65.99 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -176.704 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 71.22 107.86 0.05 OUTLIER Glycine 0 CA--C 1.527 0.815 0 N-CA-C 115.795 1.078 . . . . 0.0 115.795 175.201 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 62.73 -65.0 0.1 Allowed 'General case' 0 C--N 1.342 0.27 0 C-N-CA 128.064 2.546 . . . . 0.0 111.74 177.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.6 p30 -127.3 -78.65 0.58 Allowed 'General case' 0 N--CA 1.421 -1.889 0 C-N-CA 129.442 3.097 . . . . 0.0 105.97 178.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -162.23 39.14 0.37 Allowed Glycine 0 CA--C 1.52 0.364 0 N-CA-C 107.364 -2.294 . . . . 0.0 107.364 178.727 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 79.2 p -86.74 -37.62 17.73 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.983 0.913 . . . . 0.0 112.288 -177.417 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -77.71 131.98 37.94 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 -179.477 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.09 78.22 1.73 Allowed 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 106.837 -1.542 . . . . 0.0 106.837 178.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -23.63 67.15 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 131.218 3.807 . . . . 0.0 120.457 -173.615 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 82.7 mmm 66.46 -54.15 0.42 Allowed 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 127.016 2.126 . . . . 0.0 112.327 176.547 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -92.06 35.72 3.91 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 109.607 -1.397 . . . . 0.0 109.607 177.073 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.0 m 52.5 49.85 19.53 Favored 'General case' 0 N--CA 1.445 -0.675 0 C-N-CA 124.775 1.23 . . . . 0.0 110.648 179.515 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.01 126.75 29.0 Favored 'General case' 0 C--N 1.345 0.385 0 C-N-CA 118.261 -1.376 . . . . 0.0 112.934 -178.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.71 126.22 82.31 Favored Pre-proline 0 CA--C 1.537 0.466 0 N-CA-C 102.884 -3.006 . . . . 0.0 102.884 174.166 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_endo -31.78 106.12 0.03 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 124.866 3.71 . . . . 0.0 114.014 -172.4 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 76.6 t -57.91 -30.27 37.89 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 178.048 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -47.14 89.67 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 127.021 2.128 . . . . 0.0 113.932 176.528 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 79.57 39.31 18.41 Favored Glycine 0 N--CA 1.444 -0.833 0 CA-C-N 112.083 -2.326 . . . . 0.0 111.296 177.346 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.417 ' HB2' HD21 ' A' ' 37' ' ' LEU . 5.2 mt-30 -57.43 -46.84 83.12 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 179.382 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 143.87 126.16 1.95 Allowed Glycine 0 C--O 1.213 -1.162 0 C-N-CA 127.044 2.259 . . . . 0.0 109.108 175.559 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.06 -51.16 18.26 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 122.077 2.938 . . . . 0.0 112.141 -178.009 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.3 tp10 -58.51 -45.86 87.92 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 179.21 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -56.8 -65.17 0.66 Allowed 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 124.832 1.253 . . . . 0.0 109.089 179.692 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.417 HD21 ' HB2' ' A' ' 32' ' ' GLN . 4.5 mt -51.47 -43.19 62.07 Favored 'General case' 0 N--CA 1.44 -0.927 0 C-N-CA 125.622 1.569 . . . . 0.0 111.096 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -67.11 -45.36 77.45 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 118.725 0.693 . . . . 0.0 110.873 -178.404 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -64.88 -41.88 95.26 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 -178.501 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -67.03 -50.38 62.21 Favored 'General case' 0 N--CA 1.441 -0.915 0 C-N-CA 123.323 0.649 . . . . 0.0 111.187 -178.437 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -65.27 -39.5 92.68 Favored 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 -179.243 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -60.64 -44.88 95.88 Favored 'General case' 0 C--N 1.34 0.16 0 N-CA-C 106.852 -1.536 . . . . 0.0 106.852 175.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -53.13 -50.18 52.8 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.362 -1.095 . . . . 0.0 110.362 177.102 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -64.94 -42.55 94.55 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 119.061 1.431 . . . . 0.0 109.672 178.196 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.88 -44.56 59.8 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.171 0.988 . . . . 0.0 109.824 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.6 p30 -99.03 10.94 40.44 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.45 0.7 . . . . 0.0 112.667 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.84 20.89 60.33 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 124.86 1.219 . . . . 0.0 115.578 179.301 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.4 t -104.89 36.47 2.44 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 119.616 1.708 . . . . 0.0 111.683 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 31.3 t80 . . . . . 0 CA--C 1.528 0.107 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 178.261 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt . . . . . 0 N--CA 1.439 -0.984 0 N-CA-C 112.659 0.614 . . . . 0.0 112.659 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.55 -53.64 39.24 Favored 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 123.258 0.623 . . . . 0.0 110.131 -179.29 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 89.2 mmm -57.49 -44.49 85.0 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 179.009 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.9 mmm -55.98 -61.0 2.67 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.676 178.561 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 85.9 m -48.11 -46.38 33.96 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.864 1.266 . . . . 0.0 109.513 177.21 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -43.28 88.73 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 118.339 0.518 . . . . 0.0 110.482 178.088 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.49 -31.06 66.7 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.0 0.52 . . . . 0.0 112.185 -178.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 53.3 t -89.95 -47.94 14.58 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 N-CA-C 116.88 2.178 . . . . 0.0 116.88 -174.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -48.42 -29.95 4.57 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 -174.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -65.59 -19.43 65.91 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -79.75 -169.81 2.12 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-O 123.961 1.839 . . . . 0.0 110.643 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 51.3 m -152.72 158.41 42.28 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 127.597 2.359 . . . . 0.0 107.575 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -34.04 -51.84 0.43 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 126.262 1.825 . . . . 0.0 114.244 -176.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.32 -52.14 66.92 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.231 0.539 . . . . 0.0 109.865 -179.5 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -58.25 -46.45 85.96 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 123.671 0.788 . . . . 0.0 109.375 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 48.2 mt -58.13 -48.0 81.56 Favored 'General case' 0 N--CA 1.457 -0.087 0 C-N-CA 122.698 0.399 . . . . 0.0 110.535 178.601 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -60.97 -44.03 97.92 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 122.911 0.485 . . . . 0.0 109.739 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.94 -44.24 93.43 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.463 HD23 ' HA ' ' A' ' 72' ' ' LEU . 11.4 mt -59.35 -60.81 3.26 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-O 118.499 -0.762 . . . . 0.0 109.485 178.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.39 -42.12 73.57 Favored 'General case' 0 C--O 1.226 -0.162 0 CA-C-N 118.751 0.705 . . . . 0.0 110.493 -178.061 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -53.59 -49.75 67.11 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 178.141 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -62.39 -58.74 6.57 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 177.651 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.9 mtp -50.13 -29.38 8.99 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 114.065 1.135 . . . . 0.0 114.065 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.1 t -65.06 -29.68 70.59 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 120.832 -1.168 . . . . 0.0 110.75 178.729 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.7 pttm -114.95 38.73 3.07 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.606 1.562 . . . . 0.0 109.81 178.513 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.4 tp . . . . . 0 C--O 1.249 1.078 0 C-N-CA 126.836 2.055 . . . . 0.0 111.048 179.97 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.5 t70 . . . . . 0 CA--C 1.532 0.284 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.18 -51.87 55.91 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.771 -0.932 . . . . 0.0 110.771 178.791 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.47 -44.52 69.02 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 118.209 1.004 . . . . 0.0 110.791 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.35 -50.49 71.39 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 119.624 -0.227 . . . . 0.0 110.615 179.499 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 46.5 mt -57.32 -45.39 84.29 Favored 'General case' 0 N--CA 1.439 -0.986 0 CA-C-N 118.577 0.626 . . . . 0.0 110.036 -179.39 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.467 ' N ' HD21 ' A' ' 72' ' ' LEU . 2.5 t80 -61.33 -13.2 17.56 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 114.135 1.161 . . . . 0.0 114.135 -177.65 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 61.3 mttm -56.49 -34.03 66.56 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 120.938 -1.101 . . . . 0.0 110.499 177.519 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.0 p -68.99 -6.64 29.06 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 179.201 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.6 m -109.63 -38.3 5.45 Favored 'General case' 0 CA--C 1.516 -0.346 0 C-N-CA 126.491 1.916 . . . . 0.0 110.818 -174.769 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.1 mp -45.93 -31.11 1.16 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 C-N-CA 125.187 1.395 . . . . 0.0 111.173 178.574 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -52.31 -42.85 56.9 Favored Glycine 0 CA--C 1.536 1.358 0 CA-C-N 118.677 0.671 . . . . 0.0 111.916 177.387 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.2 m -96.59 -46.35 6.36 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 117.736 0.768 . . . . 0.0 109.967 179.043 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.417 ' CE1' HG21 ' A' ' 29' ' ' VAL . 84.0 m-70 -63.81 -25.0 67.98 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.882 0.873 . . . . 0.0 112.872 -177.174 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 70.76 107.52 0.04 OUTLIER Glycine 0 CA--C 1.526 0.747 0 C-N-CA 123.983 0.801 . . . . 0.0 115.056 176.108 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 58.94 -67.35 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 127.801 2.44 . . . . 0.0 113.442 177.131 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -157.39 68.54 0.54 Allowed 'General case' 0 N--CA 1.438 -1.028 0 C-N-CA 127.151 2.18 . . . . 0.0 107.289 179.148 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 56.04 28.16 53.0 Favored Glycine 0 CA--C 1.526 0.765 0 C-N-CA 123.976 0.798 . . . . 0.0 113.938 179.307 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 89.2 p -76.19 -29.58 57.7 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 118.132 0.966 . . . . 0.0 111.016 -179.059 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -94.52 132.53 39.1 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 121.126 0.489 . . . . 0.0 110.473 -178.717 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.44 82.07 1.44 Allowed 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 104.791 -2.3 . . . . 0.0 104.791 175.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -37.35 130.36 0.94 Allowed 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 115.117 1.525 . . . . 0.0 115.117 -175.024 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 22.2 mmt 14.91 -49.74 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.648 1 C-N-CA 134.554 5.142 . . . . 0.0 118.239 178.252 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.01 -28.5 70.37 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 176.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.0 m 109.86 53.8 0.0 OUTLIER 'General case' 0 N--CA 1.455 -0.175 1 C-N-CA 132.019 4.128 . . . . 0.0 104.224 -177.279 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.22 138.77 37.82 Favored 'General case' 0 N--CA 1.444 -0.755 0 N-CA-C 115.228 1.566 . . . . 0.0 115.228 -175.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.7 mtmm -60.48 117.52 25.42 Favored Pre-proline 0 N--CA 1.449 -0.478 0 N-CA-C 102.16 -3.274 . . . . 0.0 102.16 173.516 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -32.73 104.34 0.03 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.732 0 C-N-CA 123.97 3.113 . . . . 0.0 113.011 -176.477 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.417 HG21 ' CE1' ' A' ' 14' ' ' HIS . 95.9 t -54.99 -33.03 27.97 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.732 0 N-CA-C 107.053 -1.462 . . . . 0.0 107.053 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.5 tttp -58.55 80.36 0.01 OUTLIER 'General case' 0 C--N 1.344 0.36 0 C-N-CA 127.497 2.319 . . . . 0.0 111.522 176.379 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 131.84 -6.33 5.47 Favored Glycine 0 CA--C 1.521 0.447 0 CA-C-N 114.356 -1.293 . . . . 0.0 113.205 177.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -64.45 147.92 51.66 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 119.07 1.435 . . . . 0.0 107.441 178.396 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -40.07 -101.99 0.01 OUTLIER Glycine 0 CA--C 1.541 1.697 0 N-CA-C 118.983 2.353 . . . . 0.0 118.983 -174.174 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.444 ' HA ' HD12 ' A' ' 37' ' ' LEU . . . 177.68 -60.83 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 128.539 2.735 . . . . 0.0 105.481 179.108 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -59.92 -38.62 82.87 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 107.14 -1.43 . . . . 0.0 107.14 175.818 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -56.79 -65.19 0.66 Allowed 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 126.627 1.971 . . . . 0.0 107.936 177.52 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' A' ' 34' ' ' ALA . 19.5 mt -46.42 -49.31 18.28 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 125.997 1.719 . . . . 0.0 109.954 179.641 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -62.23 -52.94 61.74 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 125.275 1.43 . . . . 0.0 112.532 -179.561 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.9 mttp -59.19 -41.82 89.41 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-N 118.77 0.714 . . . . 0.0 109.433 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -67.29 -44.72 78.56 Favored 'General case' 0 N--CA 1.438 -1.036 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.991 -178.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 57.2 mtm -64.08 -40.76 96.96 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-O 118.518 -0.753 . . . . 0.0 109.334 177.22 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -58.46 -44.0 89.11 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 177.299 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.63 -40.59 94.89 Favored Glycine 0 CA--C 1.532 1.142 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 177.165 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -75.85 -32.96 59.98 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 119.029 1.414 . . . . 0.0 111.265 178.419 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.14 -50.47 20.24 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 125.417 1.487 . . . . 0.0 108.581 -179.291 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -89.23 -40.11 13.07 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 122.919 0.487 . . . . 0.0 109.73 177.775 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 116.02 14.64 7.71 Favored Glycine 0 CA--C 1.532 1.148 0 C-N-CA 124.967 1.27 . . . . 0.0 112.71 179.721 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.2 t -75.0 -23.54 58.25 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 118.417 1.109 . . . . 0.0 110.986 179.029 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 33.7 t80 . . . . . 0 N--CA 1.464 0.252 0 N-CA-C 107.133 -1.432 . . . . 0.0 107.133 177.544 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt . . . . . 0 C--O 1.222 -0.372 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.13 -48.47 79.99 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 118.302 0.501 . . . . 0.0 110.674 -179.096 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -61.71 -43.33 99.06 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 179.092 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 31.5 mmm -58.08 -59.56 5.09 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 109.641 -0.504 . . . . 0.0 109.641 178.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 30.8 m -48.9 -46.6 43.01 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.278 1.031 . . . . 0.0 109.532 176.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -58.81 -42.37 88.99 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 118.886 0.766 . . . . 0.0 110.927 178.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.35 -30.86 65.11 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -179.562 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 76.1 t -90.73 -43.46 14.4 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 N-CA-C 115.433 1.642 . . . . 0.0 115.433 -174.607 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -51.44 -28.83 14.11 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.366 1.066 . . . . 0.0 113.003 -176.823 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -64.8 -22.01 66.9 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 178.776 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -88.64 -168.95 2.36 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-O 123.37 1.557 . . . . 0.0 110.678 -179.385 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 25.2 m -159.56 160.48 34.51 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 127.473 2.309 . . . . 0.0 107.825 -177.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -27.53 -54.83 0.09 Allowed 'General case' 0 C--O 1.225 -0.187 0 C-N-CA 126.702 2.001 . . . . 0.0 115.234 -177.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.05 -52.94 62.82 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-O 121.395 0.616 . . . . 0.0 110.009 -178.036 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -59.12 -47.58 84.76 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 123.866 0.866 . . . . 0.0 109.869 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 62.5 mt -60.3 -47.29 86.64 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.2 0.6 . . . . 0.0 110.703 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -61.81 -45.61 93.08 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 179.244 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.45 -44.46 97.08 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 -179.517 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.467 HD21 ' N ' ' A' ' 7' ' ' TYR . 12.6 mt -57.14 -60.32 3.79 Favored 'General case' 0 N--CA 1.442 -0.834 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 178.16 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.62 -46.65 63.7 Favored 'General case' 0 N--CA 1.453 -0.298 0 O-C-N 123.042 0.214 . . . . 0.0 110.978 -178.278 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -54.43 -41.28 69.17 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 176.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -67.43 -55.88 11.89 Favored 'General case' 0 C--N 1.34 0.171 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 176.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.7 mpp? -50.78 -30.91 15.35 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 119.074 0.852 . . . . 0.0 112.577 178.395 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.5 t -55.48 -30.75 61.18 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 120.65 -1.281 . . . . 0.0 111.516 177.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 44.3 mttp -103.67 28.81 6.23 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.972 1.309 . . . . 0.0 110.324 -179.226 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 14.4 tp . . . . . 0 C--O 1.25 1.08 0 C-N-CA 124.963 1.305 . . . . 0.0 110.636 -178.327 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 CA--C 1.53 0.196 0 N-CA-C 111.442 0.164 . . . . 0.0 111.442 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -48.11 -52.01 18.5 Favored Glycine 0 CA--C 1.524 0.598 0 C-N-CA 123.83 0.728 . . . . 0.0 111.474 -179.102 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.43 -30.59 41.29 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 113.124 0.786 . . . . 0.0 113.124 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -84.11 -16.38 43.87 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 118.417 0.553 . . . . 0.0 110.906 -178.11 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 78.0 mt -91.53 -49.23 6.42 Favored 'General case' 0 N--CA 1.438 -1.038 0 N-CA-C 106.59 -1.633 . . . . 0.0 106.59 177.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.419 ' HD1' HD22 ' A' ' 72' ' ' LEU . 1.6 t80 -62.08 -17.89 58.96 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 114.387 1.255 . . . . 0.0 114.387 -177.221 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.4 pttm -52.41 -35.36 51.67 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 119.356 0.98 . . . . 0.0 110.407 177.139 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.67 -10.11 59.41 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.679 1.592 . . . . 0.0 112.962 -178.789 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.3 m -107.6 -33.68 7.24 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 127.728 2.411 . . . . 0.0 110.144 -177.061 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -45.92 -30.3 1.04 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 126.096 1.759 . . . . 0.0 110.301 177.591 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -56.13 -44.93 88.61 Favored Glycine 0 CA--C 1.537 1.433 0 O-C-N 121.446 -0.784 . . . . 0.0 111.843 177.513 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.3 m -90.68 -39.11 12.64 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 117.859 0.83 . . . . 0.0 110.669 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 -83.88 -16.46 44.29 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 115.565 1.691 . . . . 0.0 115.565 -175.616 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.86 156.05 26.72 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 110.36 -1.096 . . . . 0.0 110.36 -178.475 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -29.37 -61.94 0.13 Allowed 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 127.429 2.292 . . . . 0.0 114.129 -178.251 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.8 p-10 -111.31 47.83 0.98 Allowed 'General case' 0 N--CA 1.431 -1.376 0 C-N-CA 127.285 2.234 . . . . 0.0 109.31 -179.292 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 38.07 31.05 0.09 OUTLIER Glycine 0 CA--C 1.532 1.13 0 C-N-CA 126.863 2.173 . . . . 0.0 115.437 179.536 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.8 p -82.39 -26.16 33.09 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 127.168 2.187 . . . . 0.0 113.335 -178.079 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.5 ttmm -72.7 130.41 40.46 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 121.245 0.545 . . . . 0.0 110.594 -177.791 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.43 80.47 1.91 Allowed 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 104.999 -2.223 . . . . 0.0 104.999 175.355 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -40.3 133.55 1.8 Allowed 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 115.067 1.506 . . . . 0.0 115.067 -175.236 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.4 mmt 20.31 -75.2 0.0 OUTLIER 'General case' 0 C--N 1.342 0.282 1 C-N-CA 131.781 4.033 . . . . 0.0 115.723 179.089 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -52.73 -36.61 49.61 Favored Glycine 0 CA--C 1.528 0.89 0 N-CA-C 111.611 -0.595 . . . . 0.0 111.611 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 73.6 m 122.18 57.36 0.0 OUTLIER 'General case' 0 CA--C 1.528 0.105 1 C-N-CA 131.933 4.093 . . . . 0.0 106.348 -179.276 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.19 145.94 16.26 Favored 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 114.743 1.386 . . . . 0.0 114.743 -177.74 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -65.8 115.05 19.0 Favored Pre-proline 0 N--CA 1.447 -0.619 0 N-CA-C 100.395 -3.928 . . . . 0.0 100.395 172.449 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -34.1 119.64 0.12 Allowed 'Trans proline' 0 N--CA 1.456 -0.716 0 C-N-CA 123.469 2.78 . . . . 0.0 112.416 -175.167 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.7 t -57.09 -46.13 84.34 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 N-CA-C 105.231 -2.137 . . . . 0.0 105.231 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.1 tttp -51.21 113.78 1.03 Allowed 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 123.844 0.858 . . . . 0.0 110.917 173.475 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 113.53 -24.24 12.51 Favored Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 109.979 -1.249 . . . . 0.0 109.979 178.439 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -66.46 142.13 57.67 Favored 'General case' 0 N--CA 1.437 -1.104 0 N-CA-C 106.85 -1.537 . . . . 0.0 106.85 178.321 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -84.15 148.05 24.01 Favored Glycine 0 CA--C 1.526 0.759 0 CA-C-O 118.953 -0.915 . . . . 0.0 112.655 -176.368 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.48 -49.26 13.74 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-N 119.329 1.565 . . . . 0.0 112.291 -179.173 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.9 tp10 -59.9 -41.68 92.17 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 120.869 0.366 . . . . 0.0 110.048 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -60.97 -61.86 2.27 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 125.374 1.47 . . . . 0.0 108.295 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 34.7 mt -48.63 -45.96 39.16 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 126.874 2.07 . . . . 0.0 110.003 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -70.03 -47.49 61.88 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 123.641 0.776 . . . . 0.0 111.891 -178.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -60.21 -42.0 94.24 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 179.281 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -65.27 -52.3 55.23 Favored 'General case' 0 N--CA 1.436 -1.15 0 C-N-CA 123.517 0.727 . . . . 0.0 110.057 -179.443 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 43.6 mtm -60.57 -42.63 97.06 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 118.732 -0.651 . . . . 0.0 110.368 178.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.2 ttpm? -56.76 -44.03 81.36 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 178.101 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -60.85 -48.17 87.61 Favored Glycine 0 CA--C 1.529 0.952 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 176.701 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -63.85 -33.06 74.83 Favored 'General case' 0 C--N 1.342 0.249 0 CA-C-N 118.947 1.373 . . . . 0.0 110.634 179.126 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.12 -44.41 71.29 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.907 1.283 . . . . 0.0 107.767 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -88.64 -35.69 16.68 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 119.444 -0.312 . . . . 0.0 110.892 179.204 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 118.3 -2.56 16.28 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 125.588 1.566 . . . . 0.0 115.138 178.226 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 59.6 p -67.52 -58.71 4.23 Favored 'General case' 0 N--CA 1.431 -1.417 0 CA-C-N 120.071 1.936 . . . . 0.0 112.522 -178.768 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 36.4 t80 . . . . . 0 CA--C 1.53 0.188 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 179.948 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt . . . . . 0 C--O 1.223 -0.326 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.95 -49.19 78.67 Favored 'General case' 0 N--CA 1.456 -0.146 0 O-C-N 122.109 -0.369 . . . . 0.0 110.648 -178.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -60.37 -42.69 96.34 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 179.393 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.0 mmm -58.45 -60.49 3.71 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.765 178.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 31.3 m -47.43 -46.87 26.83 Favored 'General case' 0 C--O 1.224 -0.253 0 C-N-CA 124.337 1.055 . . . . 0.0 109.109 176.425 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -56.25 -36.58 68.69 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 118.447 0.567 . . . . 0.0 111.432 178.258 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -81.41 -35.18 31.02 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 118.476 0.58 . . . . 0.0 112.33 -178.7 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 77.1 t -82.72 -49.08 17.37 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 C-N-CA 127.295 2.238 . . . . 0.0 114.729 -176.262 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -63.69 71.93 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 126.752 2.021 . . . . 0.0 112.027 -176.364 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -173.46 -37.32 0.01 OUTLIER 'General case' 0 N--CA 1.44 -0.952 0 C-N-CA 128.924 2.89 . . . . 0.0 108.356 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -74.8 142.77 44.21 Favored 'General case' 0 N--CA 1.434 -1.256 0 CA-C-O 122.909 1.337 . . . . 0.0 109.219 179.159 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 63.4 p -78.39 167.78 20.82 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 112.466 -2.152 . . . . 0.0 108.658 177.479 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -55.47 -37.72 68.13 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 122.708 0.403 . . . . 0.0 110.21 177.782 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -65.6 -55.85 15.41 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.714 1.206 . . . . 0.0 109.311 178.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -56.05 -46.53 78.89 Favored 'General case' 0 CA--C 1.531 0.234 0 O-C-N 122.161 -0.337 . . . . 0.0 110.273 179.44 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 28.2 mt -58.64 -46.77 86.38 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.189 0.595 . . . . 0.0 109.53 178.671 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -60.63 -43.77 97.12 Favored 'General case' 0 CA--C 1.53 0.188 0 O-C-N 121.961 -0.462 . . . . 0.0 109.978 179.144 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.59 -44.11 97.13 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 -179.654 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.467 HD23 ' HA ' ' A' ' 72' ' ' LEU . 12.3 mt -59.9 -52.12 66.77 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 178.866 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.6 -43.14 89.44 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 -179.302 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -55.02 -51.04 67.52 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 178.164 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -59.32 -57.07 14.6 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 119.086 -0.483 . . . . 0.0 110.017 179.019 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 58.9 mtm -49.14 -39.91 30.6 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 118.992 0.815 . . . . 0.0 112.163 177.636 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.9 t -64.24 -8.56 13.04 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 117.938 -1.03 . . . . 0.0 113.254 -179.058 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -86.39 -13.3 46.75 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 119.523 1.056 . . . . 0.0 110.175 177.045 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.2 mp . . . . . 0 C--O 1.249 1.063 0 CA-C-O 117.657 -1.164 . . . . 0.0 109.297 178.089 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 CA--C 1.533 0.323 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -52.81 -56.01 20.52 Favored Glycine 0 C--N 1.337 0.589 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.502 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -50.16 -46.59 54.27 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 117.457 0.629 . . . . 0.0 111.351 179.758 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.23 -48.56 81.23 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 119.483 -0.294 . . . . 0.0 110.611 -179.341 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.4 mt -61.82 -47.83 83.31 Favored 'General case' 0 N--CA 1.44 -0.959 0 CA-C-N 118.54 0.609 . . . . 0.0 109.379 179.732 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -57.26 -19.4 21.33 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 113.944 1.09 . . . . 0.0 113.944 -177.879 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.6 mtpt -50.33 -41.11 50.76 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 119.663 1.119 . . . . 0.0 110.954 177.878 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.2 p -63.67 -29.45 70.68 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -179.84 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.4 m -85.39 -36.05 20.95 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 126.884 2.073 . . . . 0.0 109.903 -175.821 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -46.83 -32.94 1.97 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 C-N-CA 125.907 1.683 . . . . 0.0 110.692 179.512 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -53.87 -41.08 66.52 Favored Glycine 0 CA--C 1.534 1.276 0 O-C-N 121.911 -0.493 . . . . 0.0 112.139 178.183 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.8 m -96.58 -47.51 5.9 Favored 'General case' 0 N--CA 1.463 0.175 0 C-N-CA 123.663 0.785 . . . . 0.0 110.138 179.476 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 87.5 m-70 -70.4 -13.47 62.15 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 124.503 1.121 . . . . 0.0 114.002 -177.09 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 78.69 165.15 27.84 Favored Glycine 0 N--CA 1.446 -0.691 0 CA-C-O 122.221 0.901 . . . . 0.0 112.279 179.065 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.22 101.84 0.06 Allowed 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 114.158 -1.021 . . . . 0.0 110.812 -179.496 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.9 t70 78.77 37.77 0.15 Allowed 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 127.111 2.164 . . . . 0.0 110.116 176.73 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 60.12 20.48 54.21 Favored Glycine 0 CA--C 1.527 0.813 0 C-N-CA 124.241 0.924 . . . . 0.0 114.529 178.214 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.0 m -71.4 -25.04 62.18 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 -177.569 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 41.5 tttp -90.79 140.87 29.38 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 122.282 1.039 . . . . 0.0 112.224 -177.456 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.81 88.97 1.8 Allowed 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 103.568 -2.753 . . . . 0.0 103.568 173.439 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -42.63 132.84 3.59 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 -175.567 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 26.0 mmt 16.93 -77.66 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 131.19 3.796 . . . . 0.0 115.593 179.423 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -49.08 -35.53 19.09 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 123.6 0.619 . . . . 0.0 111.99 179.784 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 68.6 m 120.15 59.39 0.0 OUTLIER 'General case' 0 N--CA 1.457 -0.098 1 C-N-CA 132.532 4.333 . . . . 0.0 106.895 179.379 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.3 152.22 17.92 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 -178.901 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.1 mtmm -64.88 118.09 45.36 Favored Pre-proline 0 N--CA 1.45 -0.474 0 N-CA-C 100.594 -3.854 . . . . 0.0 100.594 171.514 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -33.48 110.62 0.05 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 123.715 2.943 . . . . 0.0 111.406 -176.805 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 42.5 t -54.51 -39.51 45.72 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 N-CA-C 106.329 -1.73 . . . . 0.0 106.329 -178.376 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.6 tttp -59.62 94.51 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 122.251 1.024 . . . . 0.0 109.534 173.554 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 138.25 -32.4 2.34 Favored Glycine 0 N--CA 1.444 -0.803 0 CA-C-N 113.825 -1.534 . . . . 0.0 112.173 179.044 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . 0.274 0.6 OUTLIER -69.77 148.21 49.46 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 119.589 1.694 . . . . 0.0 110.092 -178.851 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -86.96 150.22 22.81 Favored Glycine 0 CA--C 1.526 0.753 0 C-N-CA 124.559 1.076 . . . . 0.0 115.122 -174.178 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -46.08 -50.66 14.98 Favored 'General case' 0 CA--C 1.515 -0.382 0 C-N-CA 127.303 2.241 . . . . 0.0 112.495 -178.084 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -56.22 -47.82 77.66 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 -179.684 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -59.59 -60.66 3.49 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 124.086 0.954 . . . . 0.0 108.587 179.687 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 15.7 mt -50.97 -42.94 60.38 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 125.324 1.449 . . . . 0.0 112.087 -179.232 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -72.18 -44.13 63.48 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 123.732 0.813 . . . . 0.0 110.637 -178.58 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -61.8 -42.23 98.74 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 -179.517 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -69.85 -44.9 68.94 Favored 'General case' 0 N--CA 1.436 -1.175 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.532 -178.366 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 56.7 mtm -65.36 -40.62 93.81 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 118.929 0.786 . . . . 0.0 109.871 177.389 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -58.84 -39.33 80.93 Favored 'General case' 0 CA--C 1.528 0.115 0 N-CA-C 107.011 -1.477 . . . . 0.0 107.011 176.776 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.78 -64.18 4.6 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 109.057 -1.617 . . . . 0.0 109.057 176.073 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -55.1 -36.06 65.29 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 118.132 0.966 . . . . 0.0 112.127 -179.19 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -48.64 -41.77 32.21 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.813 1.245 . . . . 0.0 109.097 179.376 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -114.04 25.52 11.07 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.575 1.15 . . . . 0.0 111.134 179.538 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 50.95 27.14 12.68 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 125.043 1.306 . . . . 0.0 113.988 -179.836 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 33.9 t -100.7 32.12 3.25 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.684 1.594 . . . . 0.0 111.719 -178.151 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 35.2 t80 . . . . . 0 C--O 1.232 0.172 0 N-CA-C 105.931 -1.878 . . . . 0.0 105.931 177.139 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? . . . . . 0 CA--C 1.535 0.377 0 N-CA-C 111.675 0.25 . . . . 0.0 111.675 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.81 -50.68 67.98 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.664 1.186 . . . . 0.0 110.707 -179.124 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -44.0 95.03 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 178.828 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 20.4 mmm -56.42 -58.76 6.64 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.375 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 92.8 m -47.82 -43.66 28.18 Favored 'General case' 0 C--O 1.222 -0.36 0 C-N-CA 125.257 1.423 . . . . 0.0 109.32 176.114 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -63.59 -40.09 96.05 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 119.116 0.871 . . . . 0.0 110.542 179.039 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.8 -33.17 68.34 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.096 0.558 . . . . 0.0 112.014 -179.571 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 73.3 t -87.33 -48.96 15.09 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 C-N-CA 126.674 1.99 . . . . 0.0 114.618 -176.065 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.8 ttpp -68.89 70.12 0.19 Allowed 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 126.25 1.82 . . . . 0.0 111.134 -177.466 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.9 ptmm? -167.16 -30.69 0.02 OUTLIER 'General case' 0 N--CA 1.441 -0.885 0 C-N-CA 130.197 3.399 . . . . 0.0 107.866 179.787 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -76.04 -169.13 1.05 Allowed 'General case' 0 N--CA 1.44 -0.958 0 CA-C-O 123.935 1.826 . . . . 0.0 109.107 176.367 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.9 m -153.02 162.27 41.53 Favored 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 128.232 2.613 . . . . 0.0 106.924 179.274 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -33.09 -52.36 0.34 Allowed 'General case' 0 C--O 1.226 -0.171 0 C-N-CA 125.753 1.621 . . . . 0.0 114.217 -177.724 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -60.39 -50.96 71.53 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-O 120.774 0.321 . . . . 0.0 110.561 -178.023 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.2 mp0 -61.05 -46.26 91.41 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.327 0.651 . . . . 0.0 109.532 178.981 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 57.1 mt -59.12 -48.81 80.25 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-N 118.185 0.448 . . . . 0.0 110.339 179.806 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 24.4 ttpp -61.45 -41.89 97.91 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 123.621 0.768 . . . . 0.0 109.909 179.56 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.1 -46.21 82.0 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 -179.468 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.8 mt -58.44 -59.23 5.69 Favored 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 178.635 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.38 -39.9 67.64 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 118.763 -0.637 . . . . 0.0 110.318 -178.234 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -57.87 -49.49 76.53 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 177.476 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -59.97 -60.02 4.5 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 178.169 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.3 mpp? -50.1 -35.16 24.43 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.258 -0.901 . . . . 0.0 113.228 178.297 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.2 t -69.76 -20.81 63.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 117.322 -1.323 . . . . 0.0 113.144 -179.927 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -90.61 3.38 54.27 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 119.99 1.268 . . . . 0.0 110.376 178.209 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 84.0 mt . . . . . 0 C--O 1.251 1.16 0 CA-C-O 117.215 -1.374 . . . . 0.0 109.465 177.679 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.0 t70 . . . . . 0 CA--C 1.532 0.287 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.52 -54.38 37.63 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 179.156 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.91 -45.34 67.52 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 117.769 0.784 . . . . 0.0 110.91 -179.738 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.91 -50.14 74.61 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 110.345 -0.243 . . . . 0.0 110.345 179.94 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 46.9 mt -58.02 -46.52 85.17 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-N 118.37 0.532 . . . . 0.0 109.931 -179.816 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.416 ' N ' HD21 ' A' ' 72' ' ' LEU . 2.1 t80 -60.19 -15.89 28.24 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 114.185 1.18 . . . . 0.0 114.185 -177.868 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.2 mtpt -52.58 -40.58 62.76 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 119.73 1.15 . . . . 0.0 110.872 178.51 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.5 p -63.39 -23.27 67.33 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 113.129 0.789 . . . . 0.0 113.129 179.649 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.6 m -93.01 -36.34 12.78 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 127.105 2.162 . . . . 0.0 110.398 -175.282 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -46.61 -29.52 1.14 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 C-N-CA 125.791 1.636 . . . . 0.0 111.231 179.126 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -55.12 -50.75 57.99 Favored Glycine 0 CA--C 1.536 1.361 0 CA-C-N 118.785 0.72 . . . . 0.0 111.375 177.409 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.0 m -86.97 -45.1 11.1 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 117.604 0.702 . . . . 0.0 110.118 179.911 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 87.5 m-70 -69.42 -20.87 63.78 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 -176.827 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.11 159.79 25.72 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.218 -1.153 . . . . 0.0 110.218 -178.745 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -14.85 -57.65 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 129.216 3.007 . . . . 0.0 113.72 -178.982 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -147.17 65.8 1.15 Allowed 'General case' 0 N--CA 1.439 -1.019 0 C-N-CA 124.398 1.079 . . . . 0.0 108.378 177.193 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 60.58 22.84 59.87 Favored Glycine 0 CA--C 1.525 0.689 0 C-N-CA 123.184 0.421 . . . . 0.0 112.896 178.739 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.3 p -71.2 -32.4 68.79 Favored 'General case' 0 N--CA 1.441 -0.895 0 C-N-CA 125.382 1.473 . . . . 0.0 112.485 -177.718 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.3 mtmm -94.81 136.83 34.65 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 118.542 0.61 . . . . 0.0 110.119 179.722 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.65 86.57 1.21 Allowed 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 104.127 -2.546 . . . . 0.0 104.127 175.195 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -35.93 130.81 0.59 Allowed 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 115.449 1.648 . . . . 0.0 115.449 -174.85 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 11.1 tpt 25.62 -79.43 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 131.168 3.787 . . . . 0.0 115.142 178.578 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.81 -35.79 58.77 Favored Glycine 0 CA--C 1.526 0.759 0 CA-C-O 119.582 -0.566 . . . . 0.0 112.414 -179.347 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 70.4 m 124.63 56.91 0.0 OUTLIER 'General case' 0 CA--C 1.528 0.13 0 C-N-CA 131.301 3.84 . . . . 0.0 106.147 -178.623 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.44 146.21 30.3 Favored 'General case' 0 N--CA 1.443 -0.815 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 -177.295 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.2 mtmt -61.59 116.14 18.91 Favored Pre-proline 0 N--CA 1.448 -0.547 0 N-CA-C 102.275 -3.231 . . . . 0.0 102.275 173.623 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -32.89 105.34 0.04 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 124.065 3.176 . . . . 0.0 113.007 -176.736 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.0 t -56.41 -32.06 34.92 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 N-CA-C 107.386 -1.339 . . . . 0.0 107.386 -179.86 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.3 tttm -58.51 80.9 0.01 OUTLIER 'General case' 0 C--N 1.346 0.432 0 C-N-CA 126.714 2.005 . . . . 0.0 111.718 176.834 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 133.21 -8.17 5.08 Favored Glycine 0 CA--C 1.521 0.466 0 CA-C-N 114.515 -1.221 . . . . 0.0 113.103 178.112 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -63.92 146.85 53.29 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 119.004 1.402 . . . . 0.0 107.348 178.409 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -39.1 -101.95 0.01 OUTLIER Glycine 0 CA--C 1.54 1.65 0 N-CA-C 119.19 2.436 . . . . 0.0 119.19 -173.849 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 176.38 -59.56 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 128.975 2.91 . . . . 0.0 104.888 179.469 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -59.86 -41.86 92.4 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 106.173 -1.788 . . . . 0.0 106.173 175.488 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -52.94 -66.46 0.38 Allowed 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 126.117 1.767 . . . . 0.0 108.965 177.149 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 32.8 mt -45.56 -49.95 13.47 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 113.177 -1.828 . . . . 0.0 110.008 -179.962 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -65.45 -49.98 67.1 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 123.935 0.894 . . . . 0.0 112.611 -179.098 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -60.52 -39.71 88.82 Favored 'General case' 0 N--CA 1.427 -1.596 0 CA-C-N 119.485 1.039 . . . . 0.0 109.514 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -67.89 -48.65 65.45 Favored 'General case' 0 N--CA 1.437 -1.106 0 C-N-CA 122.861 0.464 . . . . 0.0 109.821 -179.319 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 61.3 mtm -62.87 -42.1 99.63 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-O 118.811 -0.614 . . . . 0.0 109.999 177.999 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -58.43 -42.97 88.51 Favored 'General case' 0 CA--C 1.529 0.147 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 177.496 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -56.56 -52.04 52.74 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 109.305 -1.518 . . . . 0.0 109.305 176.408 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -65.08 -32.3 73.95 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.94 1.37 . . . . 0.0 111.739 179.127 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -48.82 -51.31 30.1 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.827 1.251 . . . . 0.0 109.677 -178.577 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -93.38 -33.47 13.85 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.064 0.546 . . . . 0.0 110.95 178.928 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.96 17.65 6.27 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 125.938 1.733 . . . . 0.0 112.831 179.941 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 33.4 t -90.41 35.06 0.87 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.745 1.218 . . . . 0.0 111.426 -179.761 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 29.7 t80 . . . . . 0 C--O 1.232 0.147 0 N-CA-C 106.476 -1.675 . . . . 0.0 106.476 177.176 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.531 0.232 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.87 -50.43 66.61 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 123.133 0.573 . . . . 0.0 110.323 -179.714 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 26.4 mmt -59.53 -44.76 93.09 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.054 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 30.1 mmm -58.07 -58.03 10.21 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.318 178.9 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 68.4 m -47.83 -47.44 31.31 Favored 'General case' 0 C--O 1.222 -0.39 0 C-N-CA 124.59 1.156 . . . . 0.0 109.134 177.096 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -60.92 -46.06 92.2 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 118.861 0.755 . . . . 0.0 111.073 178.722 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.95 90.96 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.635 0.774 . . . . 0.0 111.46 -179.629 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 77.1 t -82.07 -31.19 10.24 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 C-N-CA 127.372 2.269 . . . . 0.0 113.468 -176.774 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.71 -36.23 57.11 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 125.212 1.405 . . . . 0.0 111.895 -178.236 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -75.2 -3.0 30.51 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -179.901 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 21.8 m-30 -107.95 -172.31 2.04 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 125.226 1.41 . . . . 0.0 108.936 179.357 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 28.0 m -160.8 159.86 30.47 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 126.812 2.045 . . . . 0.0 107.901 -177.395 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -30.92 -48.55 0.11 Allowed 'General case' 0 C--O 1.225 -0.203 0 C-N-CA 126.646 1.978 . . . . 0.0 115.416 -177.107 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.02 -55.02 37.77 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 119.446 1.021 . . . . 0.0 109.32 179.896 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -56.59 -50.82 70.82 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 124.369 1.068 . . . . 0.0 109.363 179.863 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 74.2 mt -57.33 -46.53 83.16 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.969 0.908 . . . . 0.0 111.374 179.791 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -65.46 -40.28 93.01 Favored 'General case' 0 N--CA 1.452 -0.361 0 O-C-N 121.656 -0.653 . . . . 0.0 109.697 179.565 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.89 -45.5 89.07 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.822 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.416 HD21 ' N ' ' A' ' 7' ' ' TYR . 13.3 mt -56.25 -59.83 4.37 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 177.56 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -50.66 -47.38 58.66 Favored 'General case' 0 N--CA 1.449 -0.51 0 O-C-N 123.447 0.467 . . . . 0.0 110.708 -178.29 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -54.39 -43.45 71.43 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 176.52 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -64.84 -57.71 8.13 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 177.026 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.9 mpp? -51.38 -28.47 12.73 Favored 'General case' 0 CA--C 1.539 0.519 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 178.581 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 17.1 t -55.86 -32.65 63.83 Favored 'General case' 0 CA--C 1.534 0.351 0 O-C-N 120.659 -1.276 . . . . 0.0 111.083 177.351 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 32.1 mmtt -103.62 32.04 4.08 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.579 0.752 . . . . 0.0 110.083 -178.508 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 14.8 tp . . . . . 0 C--O 1.251 1.151 0 C-N-CA 125.505 1.522 . . . . 0.0 110.318 -178.76 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 24.2 t0 . . . . . 0 N--CA 1.46 0.054 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.96 -50.45 67.58 Favored Glycine 0 CA--C 1.528 0.845 0 N-CA-C 110.301 -1.12 . . . . 0.0 110.301 178.042 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.29 -49.85 71.07 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 118.204 1.002 . . . . 0.0 111.591 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.25 -51.39 69.16 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 -179.811 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 74.3 mt -54.21 -48.06 71.45 Favored 'General case' 0 N--CA 1.44 -0.933 0 CA-C-N 118.121 0.419 . . . . 0.0 110.787 -179.825 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.425 ' OH ' HG11 ' A' ' 29' ' ' VAL . 3.1 t80 -62.0 -13.99 31.07 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 114.556 1.317 . . . . 0.0 114.556 -177.331 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -58.44 -30.84 67.23 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 120.845 -1.16 . . . . 0.0 110.788 178.468 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.2 p -70.9 -6.2 36.52 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 112.759 0.651 . . . . 0.0 112.759 178.677 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.3 m -109.55 -37.32 5.73 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 126.624 1.97 . . . . 0.0 110.688 -174.684 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.1 mp -43.05 -35.91 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 C-N-CA 125.775 1.63 . . . . 0.0 110.173 177.442 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -50.1 -43.93 41.89 Favored Glycine 0 CA--C 1.536 1.366 0 O-C-N 121.693 -0.629 . . . . 0.0 112.714 178.171 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.6 m -96.05 -43.92 7.56 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 117.796 0.798 . . . . 0.0 110.421 179.463 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 61.4 m80 -72.13 -6.65 44.12 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.11 0.964 . . . . 0.0 113.526 -177.585 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 63.9 -158.21 41.37 Favored Glycine 0 N--CA 1.445 -0.742 0 N-CA-C 111.481 -0.648 . . . . 0.0 111.481 178.61 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.24 96.12 0.1 Allowed 'General case' 0 N--CA 1.445 -0.69 0 CA-C-O 121.899 0.857 . . . . 0.0 111.092 -179.307 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 48.22 61.27 3.1 Favored 'General case' 0 N--CA 1.436 -1.141 0 C-N-CA 127.156 2.182 . . . . 0.0 111.144 175.847 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.96 5.69 41.18 Favored Glycine 0 CA--C 1.525 0.663 0 CA-C-O 118.183 -1.343 . . . . 0.0 115.389 177.18 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 52.2 m -68.15 -27.12 66.15 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 119.549 1.675 . . . . 0.0 111.231 179.508 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -88.51 127.87 35.54 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 118.878 0.763 . . . . 0.0 109.584 -179.693 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.55 85.88 0.87 Allowed 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 105.411 -2.07 . . . . 0.0 105.411 176.086 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -36.81 126.71 0.89 Allowed 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 125.384 1.474 . . . . 0.0 114.859 -175.69 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 24.7 mmt 22.27 -76.28 0.0 OUTLIER 'General case' 0 C--N 1.342 0.275 0 C-N-CA 131.665 3.986 . . . . 0.0 115.391 178.863 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -52.95 -33.34 43.64 Favored Glycine 0 CA--C 1.529 0.919 0 C-N-CA 123.305 0.479 . . . . 0.0 112.086 179.504 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 70.5 m 119.95 56.86 0.0 OUTLIER 'General case' 0 C--O 1.23 0.076 1 C-N-CA 131.718 4.007 . . . . 0.0 107.158 179.717 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.58 146.4 30.44 Favored 'General case' 0 N--CA 1.445 -0.698 0 N-CA-C 114.641 1.349 . . . . 0.0 114.641 -178.292 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.7 mtmm -60.43 127.58 86.78 Favored Pre-proline 0 CA--C 1.538 0.514 0 N-CA-C 102.817 -3.031 . . . . 0.0 102.817 172.872 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_exo -41.95 100.94 0.04 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 123.95 3.1 . . . . 0.0 112.62 -177.967 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.425 HG11 ' OH ' ' A' ' 7' ' ' TYR . 12.3 t -52.3 -33.82 17.65 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 123.075 0.55 . . . . 0.0 109.726 -177.975 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.7 tttm -42.47 81.07 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 127.543 2.337 . . . . 0.0 116.072 176.534 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.55 14.79 57.94 Favored Glycine 0 N--CA 1.439 -1.131 0 CA-C-O 117.318 -1.823 . . . . 0.0 112.945 175.73 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . 0.325 7.0 pt20 -75.64 95.2 3.33 Favored 'General case' 0 C--N 1.349 0.571 0 CA-C-N 120.289 2.044 . . . . 0.0 110.014 179.9 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 50.36 -148.57 6.9 Favored Glycine 0 CA--C 1.542 1.722 0 C-N-CA 128.866 3.127 . . . . 0.0 110.831 -173.557 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -148.72 -61.56 0.24 Allowed 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 102.316 -3.216 . . . . 0.0 102.316 175.057 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 47.0 tt0 -56.53 -34.97 67.55 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 174.464 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -55.59 -70.53 0.11 Allowed 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 107.632 -1.247 . . . . 0.0 107.632 177.662 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -53.26 -37.49 62.18 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -178.831 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -65.61 -43.44 89.61 Favored 'General case' 0 N--CA 1.452 -0.364 0 O-C-N 121.922 -0.486 . . . . 0.0 110.656 -179.256 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.7 ttmm -69.51 -41.3 76.21 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 -178.856 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -63.41 -47.72 80.77 Favored 'General case' 0 N--CA 1.438 -1.054 0 C-N-CA 123.625 0.77 . . . . 0.0 109.125 -179.951 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 64.4 mtm -65.66 -39.37 91.31 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-O 117.59 -1.195 . . . . 0.0 109.577 178.068 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 58.1 tttp -58.31 -42.91 87.72 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 106.843 -1.539 . . . . 0.0 106.843 176.231 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -53.33 -58.21 12.77 Favored Glycine 0 CA--C 1.528 0.858 0 N-CA-C 109.796 -1.322 . . . . 0.0 109.796 176.934 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -60.89 -44.86 96.52 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 118.522 1.161 . . . . 0.0 111.167 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.95 -48.15 52.17 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 125.934 1.694 . . . . 0.0 108.896 179.686 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -90.86 13.1 17.36 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.702 1.201 . . . . 0.0 112.398 -179.24 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 51.42 35.69 36.52 Favored Glycine 0 CA--C 1.533 1.177 0 C-N-CA 124.545 1.069 . . . . 0.0 113.274 -179.861 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.6 t -120.87 31.8 6.25 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.904 1.682 . . . . 0.0 112.258 -178.121 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 31.3 t80 . . . . . 0 C--O 1.231 0.102 0 N-CA-C 107.147 -1.427 . . . . 0.0 107.147 178.041 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.4 pttm . . . . . 0 CA--C 1.53 0.186 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.18 -49.47 69.67 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.22 0.608 . . . . 0.0 110.642 -178.586 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 25.4 mmt -60.61 -42.91 97.76 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 179.095 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 37.6 mmm -57.98 -61.53 2.48 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 116.015 -0.538 . . . . 0.0 109.631 178.742 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 88.6 m -48.05 -45.47 32.29 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.209 1.004 . . . . 0.0 109.672 177.312 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -61.66 -40.42 94.86 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 121.695 -0.628 . . . . 0.0 111.531 179.159 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.72 -32.73 64.03 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.793 -0.567 . . . . 0.0 111.808 -179.769 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 67.4 t -85.0 -40.86 15.32 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 C-N-CA 125.893 1.677 . . . . 0.0 114.306 -176.072 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 56.9 pttt -52.48 -30.72 31.38 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 -176.626 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.2 pttm -72.63 -10.97 60.43 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.39 0.541 . . . . 0.0 112.194 -179.419 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -97.11 -169.9 1.94 Allowed 'General case' 0 N--CA 1.441 -0.922 0 CA-C-O 123.263 1.506 . . . . 0.0 109.11 178.721 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.3 m -153.42 161.32 42.41 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 127.064 2.145 . . . . 0.0 108.33 -179.44 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -29.43 -53.01 0.13 Allowed 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 126.792 2.037 . . . . 0.0 114.827 -177.728 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -60.91 -51.2 70.31 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 120.964 0.411 . . . . 0.0 110.268 -178.546 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.4 mp0 -58.87 -45.15 90.87 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 178.507 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 47.9 mt -58.12 -50.15 74.47 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 118.493 0.588 . . . . 0.0 110.676 179.036 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -59.46 -45.74 90.78 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 122.894 0.478 . . . . 0.0 110.402 -179.578 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.99 -43.57 95.32 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 -179.125 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.463 HD23 ' HA ' ' A' ' 72' ' ' LEU . 11.3 mt -57.95 -60.46 3.69 Favored 'General case' 0 N--CA 1.44 -0.952 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 178.473 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.18 -46.36 62.09 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 118.143 0.429 . . . . 0.0 111.195 -177.717 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -52.23 -47.73 65.53 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 176.67 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -62.37 -53.76 50.27 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 177.424 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.1 mpp? -49.5 -38.06 28.88 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 119.471 1.032 . . . . 0.0 112.382 178.492 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.3 t -60.12 -27.99 67.5 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 121.449 -0.782 . . . . 0.0 112.191 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -103.55 19.76 19.18 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.853 0.861 . . . . 0.0 111.827 -177.828 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 86.5 mt . . . . . 0 C--O 1.249 1.078 0 CA-C-O 117.692 -1.147 . . . . 0.0 110.524 177.522 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 17.8 t0 . . . . . 0 CA--C 1.532 0.278 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -54.87 -42.87 80.98 Favored Glycine 0 CA--C 1.527 0.824 0 N-CA-C 110.626 -0.99 . . . . 0.0 110.626 177.691 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.6 -23.87 67.27 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 118.395 1.097 . . . . 0.0 112.18 -179.907 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -85.97 -47.66 9.4 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 108.123 -1.065 . . . . 0.0 108.123 179.548 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 38.3 mt -58.31 -43.29 88.1 Favored 'General case' 0 N--CA 1.442 -0.865 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -179.441 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.501 ' HD1' HD22 ' A' ' 72' ' ' LEU . 2.0 t80 -64.76 -11.06 32.43 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 114.01 1.115 . . . . 0.0 114.01 -178.304 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -54.68 -37.33 65.64 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 120.012 1.278 . . . . 0.0 110.332 178.211 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.1 p -63.47 -23.0 67.21 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 179.227 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.1 m -98.29 -34.44 10.69 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 127.034 2.133 . . . . 0.0 111.462 -175.025 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.3 tp -46.39 -35.45 2.48 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 125.596 1.558 . . . . 0.0 111.322 -179.224 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -56.22 -36.68 69.6 Favored Glycine 0 CA--C 1.532 1.134 0 CA-C-O 119.451 -0.638 . . . . 0.0 112.856 179.081 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.8 t -95.19 -41.88 8.85 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-N 118.19 0.995 . . . . 0.0 111.732 -179.024 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.416 ' CE1' HG21 ' A' ' 29' ' ' VAL . 62.5 m-70 -79.52 -31.18 42.09 Favored 'General case' 0 N--CA 1.435 -1.218 0 C-N-CA 126.78 2.032 . . . . 0.0 116.058 -175.675 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 96.61 157.52 31.3 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 109.333 -1.507 . . . . 0.0 109.333 -177.169 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.22 -37.48 35.64 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 124.588 1.155 . . . . 0.0 112.8 -179.418 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 57.4 p30 -100.56 10.91 40.54 Favored 'General case' 0 N--CA 1.434 -1.23 0 C-N-CA 128.046 2.538 . . . . 0.0 112.334 -178.293 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.59 ' HA3' HD21 ' A' ' 79' ' ' LEU . . . 44.59 31.51 2.53 Favored Glycine 0 CA--C 1.529 0.968 0 C-N-CA 125.029 1.3 . . . . 0.0 113.434 -177.094 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.0 m -118.64 -6.04 10.68 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.819 0.847 . . . . 0.0 111.266 -179.914 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -83.41 67.06 9.17 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 106.472 -1.677 . . . . 0.0 106.472 178.661 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -12.31 93.12 0.01 OUTLIER 'General case' 0 C--N 1.342 0.246 0 C-N-CA 129.097 2.959 . . . . 0.0 113.248 -177.902 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.44 133.24 10.04 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 124.291 1.037 . . . . 0.0 111.817 -178.719 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 11.2 ptm -10.83 -51.33 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 131.148 3.779 . . . . 0.0 117.242 -176.754 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -53.26 -42.55 63.56 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 110.4 -1.08 . . . . 0.0 110.4 178.379 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 69.4 p 128.47 54.91 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.249 1 C-N-CA 134.014 4.926 . . . . 0.0 107.165 178.589 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.3 121.06 10.46 Favored 'General case' 0 C--N 1.348 0.506 0 C-N-CA 118.045 -1.462 . . . . 0.0 114.203 -176.656 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.49 120.48 48.98 Favored Pre-proline 0 N--CA 1.449 -0.51 0 N-CA-C 101.696 -3.446 . . . . 0.0 101.696 173.767 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -26.59 110.03 0.03 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.741 0 C-N-CA 124.938 3.759 . . . . 0.0 112.831 -175.089 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.416 HG21 ' CE1' ' A' ' 14' ' ' HIS . 73.7 t -59.67 -35.22 58.45 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 N-CA-C 107.382 -1.34 . . . . 0.0 107.382 -178.695 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.603 ' HA ' HD23 ' A' ' 79' ' ' LEU . 63.1 tttp -41.37 102.77 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 125.328 1.451 . . . . 0.0 114.55 177.39 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 64.58 40.56 97.69 Favored Glycine 0 N--CA 1.44 -1.043 0 CA-C-N 112.689 -2.05 . . . . 0.0 110.166 177.118 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -60.65 -36.14 77.94 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 107.347 -1.353 . . . . 0.0 107.347 179.608 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 132.16 121.11 2.22 Favored Glycine 0 C--O 1.217 -0.934 0 C-N-CA 128.0 2.714 . . . . 0.0 108.583 176.442 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.76 -46.04 10.3 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 121.091 2.446 . . . . 0.0 112.816 -177.64 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -63.22 -40.84 98.61 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 179.435 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -60.88 -64.12 1.06 Allowed 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 125.866 1.667 . . . . 0.0 107.952 179.253 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 33.3 mt -46.1 -50.83 14.9 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 127.091 2.156 . . . . 0.0 109.514 179.29 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -65.16 -51.65 59.87 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 123.388 0.675 . . . . 0.0 112.201 -179.8 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -57.22 -39.42 75.43 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 -178.885 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -70.95 -44.7 65.53 Favored 'General case' 0 N--CA 1.436 -1.135 0 C-N-CA 123.082 0.553 . . . . 0.0 110.195 -178.839 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 2.0 mtm -62.19 -44.3 96.91 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 118.8 0.727 . . . . 0.0 109.594 177.486 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -58.09 -45.74 86.67 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 107.044 -1.465 . . . . 0.0 107.044 177.864 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -53.41 -54.57 29.16 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 110.244 -1.142 . . . . 0.0 110.244 177.025 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -62.72 -43.12 99.64 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 118.628 1.214 . . . . 0.0 110.595 179.684 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.31 -50.31 59.61 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 125.643 1.577 . . . . 0.0 108.855 -179.837 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -90.53 11.21 22.54 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.455 1.102 . . . . 0.0 112.177 -179.299 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 51.08 31.92 26.88 Favored Glycine 0 CA--C 1.535 1.323 0 C-N-CA 124.326 0.965 . . . . 0.0 113.582 -179.22 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.8 t -114.94 33.48 5.38 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 125.966 1.706 . . . . 0.0 111.593 -178.439 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 37.0 t80 . . . . . 0 C--O 1.233 0.2 0 N-CA-C 106.19 -1.782 . . . . 0.0 106.19 179.262 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.172 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.47 -51.8 67.9 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 122.658 0.383 . . . . 0.0 110.886 -178.552 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 61.9 mtt -61.09 -40.56 94.19 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 179.215 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 21.8 mmm -57.21 -60.9 2.93 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 178.966 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 45.1 m -51.51 -44.67 62.62 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.544 0.738 . . . . 0.0 109.498 177.256 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.14 -36.58 70.89 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.021 0.528 . . . . 0.0 110.667 179.341 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.89 -59.51 2.75 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 122.251 1.024 . . . . 0.0 108.658 178.763 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 72.5 t -49.72 -40.62 15.82 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 C-N-CA 126.926 2.09 . . . . 0.0 113.767 -176.651 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -57.04 -21.42 31.09 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 119.6 1.091 . . . . 0.0 113.088 -179.099 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 47.9 tttp -64.79 -30.78 71.8 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.645 0.657 . . . . 0.0 111.397 178.545 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -91.79 -177.22 4.69 Favored 'General case' 0 N--CA 1.436 -1.137 0 C-N-CA 125.488 1.515 . . . . 0.0 111.202 -175.937 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.6 t -136.82 169.14 18.25 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 128.023 2.529 . . . . 0.0 108.371 179.465 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -43.28 -49.68 6.71 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 125.632 1.573 . . . . 0.0 113.275 -176.944 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.45 -53.22 60.61 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 -179.13 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -57.07 -43.5 82.13 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 123.27 0.628 . . . . 0.0 109.614 179.187 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.7 mt -60.45 -49.52 77.26 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 118.981 0.81 . . . . 0.0 109.714 178.728 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -57.51 -46.21 84.06 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 121.951 -0.468 . . . . 0.0 109.784 179.421 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.09 -44.58 95.32 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 -179.744 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.501 HD22 ' HD1' ' A' ' 7' ' ' TYR . 15.0 mt -59.52 -48.25 82.37 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.432 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.95 -41.74 96.89 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 -179.552 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -55.59 -49.0 73.93 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 177.565 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -58.78 -61.32 2.71 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 178.379 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.402 ' SD ' ' CE1' ' A' ' 7' ' ' TYR . 68.6 mtm -49.78 -32.77 14.67 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 178.204 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.6 t -71.18 -30.8 66.87 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-O 118.442 -0.789 . . . . 0.0 111.248 -179.626 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 44.8 pttt -107.83 26.7 10.01 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.6 0.76 . . . . 0.0 109.996 179.044 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.603 HD23 ' HA ' ' A' ' 30' ' ' LYS . 39.4 tp . . . . . 0 C--O 1.252 1.218 0 C-N-CA 125.804 1.641 . . . . 0.0 110.435 179.295 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 CA--C 1.529 0.161 0 N-CA-C 112.527 0.566 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -49.48 -49.13 33.47 Favored Glycine 0 CA--C 1.527 0.808 0 N-CA-C 111.335 -0.706 . . . . 0.0 111.335 179.154 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.3 -25.63 15.55 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 112.891 0.701 . . . . 0.0 112.891 179.548 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -89.86 -22.17 22.18 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 118.908 0.776 . . . . 0.0 110.72 -179.58 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 67.6 mt -85.5 -34.88 21.47 Favored 'General case' 0 N--CA 1.435 -1.179 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 179.808 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.43 ' CD1' HD22 ' A' ' 72' ' ' LEU . 1.1 t80 -76.31 -8.22 56.62 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 115.932 1.827 . . . . 0.0 115.932 -177.887 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.3 mtmm -52.18 -45.8 65.27 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.056 -1.027 . . . . 0.0 112.377 -178.405 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.3 m -68.5 -6.81 27.26 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 -179.407 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 10.4 m -100.81 -37.36 8.73 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 126.672 1.989 . . . . 0.0 109.959 -177.228 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -47.32 -30.16 1.71 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 C-N-CA 125.198 1.399 . . . . 0.0 109.717 177.011 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -49.61 -47.09 37.83 Favored Glycine 0 CA--C 1.536 1.389 0 C-N-CA 123.939 0.781 . . . . 0.0 112.823 177.64 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.5 m -91.25 -45.65 8.51 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 118.666 1.233 . . . . 0.0 110.157 179.594 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 69.3 m-70 -70.33 -16.91 63.05 Favored 'General case' 0 N--CA 1.431 -1.412 0 C-N-CA 126.195 1.798 . . . . 0.0 115.684 -175.565 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.37 154.74 23.38 Favored Glycine 0 CA--C 1.528 0.867 0 N-CA-C 109.356 -1.498 . . . . 0.0 109.356 -178.112 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -34.93 -59.71 0.48 Allowed 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 126.139 1.776 . . . . 0.0 113.184 -178.339 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.1 p-10 -102.69 38.23 1.76 Allowed 'General case' 0 N--CA 1.438 -1.066 0 C-N-CA 125.861 1.665 . . . . 0.0 111.512 -179.429 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 47.48 30.22 6.02 Favored Glycine 0 CA--C 1.532 1.115 0 C-N-CA 124.904 1.24 . . . . 0.0 114.984 178.149 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.1 p -89.88 -29.71 18.37 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 126.728 2.011 . . . . 0.0 113.702 -176.216 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.88 131.92 41.98 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 -177.838 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.7 80.75 0.85 Allowed 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 179.905 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -37.94 133.07 0.9 Allowed 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 126.5 1.92 . . . . 0.0 115.255 -176.991 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 38.7 tpp 21.85 -82.23 0.0 OUTLIER 'General case' 0 C--N 1.345 0.376 0 C-N-CA 129.938 3.295 . . . . 0.0 113.107 179.468 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.0 46.26 2.08 Favored Glycine 0 CA--C 1.53 1.026 0 CA-C-O 119.644 -0.531 . . . . 0.0 112.141 179.133 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.9 m 47.16 53.39 10.77 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 126.852 2.061 . . . . 0.0 111.097 178.716 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.31 138.6 56.29 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 114.446 1.276 . . . . 0.0 114.446 -177.898 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.9 pttm -63.1 114.09 11.48 Favored Pre-proline 0 CA--C 1.542 0.638 0 N-CA-C 102.377 -3.194 . . . . 0.0 102.377 172.344 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -32.13 119.56 0.09 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.525 0 C-N-CA 124.568 3.512 . . . . 0.0 114.061 -175.374 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.436 HG23 HD21 ' A' ' 79' ' ' LEU . 28.9 m -66.17 -18.22 23.68 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.733 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 179.163 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 43.5 tptt -54.19 85.36 0.0 OUTLIER 'General case' 0 C--N 1.346 0.43 0 C-N-CA 126.856 2.062 . . . . 0.0 112.018 175.908 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 112.48 2.98 25.84 Favored Glycine 0 C--N 1.318 -0.438 0 CA-C-N 114.258 -1.337 . . . . 0.0 113.521 177.01 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -63.92 147.02 52.97 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 105.382 -2.081 . . . . 0.0 105.382 176.271 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -76.06 141.11 26.65 Favored Glycine 0 CA--C 1.529 0.913 0 O-C-N 120.674 -1.267 . . . . 0.0 114.097 -175.065 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -46.06 -48.43 16.93 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 119.797 1.798 . . . . 0.0 112.378 179.821 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.5 tm-20 -59.64 -44.1 93.62 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 -179.93 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -59.09 -63.3 1.35 Allowed 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 125.355 1.462 . . . . 0.0 107.846 179.694 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 49.1 mt -45.86 -49.62 15.21 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 126.925 2.09 . . . . 0.0 109.681 -179.87 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -66.54 -50.05 64.43 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 123.014 0.526 . . . . 0.0 112.323 -179.482 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -59.37 -40.71 87.38 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 121.525 0.679 . . . . 0.0 109.82 -178.918 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -69.97 -50.74 38.73 Favored 'General case' 0 N--CA 1.439 -1.017 0 C-N-CA 123.113 0.565 . . . . 0.0 110.174 -178.307 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 60.5 mtm -61.81 -37.08 83.07 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 118.481 -0.771 . . . . 0.0 109.638 178.574 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -58.33 -47.56 83.36 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 177.698 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.01 -45.52 92.28 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.313 -0.715 . . . . 0.0 111.313 177.458 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -66.54 -33.14 75.02 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 118.302 1.051 . . . . 0.0 109.905 177.669 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.22 -49.4 69.87 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 124.348 1.059 . . . . 0.0 109.518 -179.017 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.5 p30 -88.12 -15.94 34.8 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -177.528 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.98 5.4 62.58 Favored Glycine 0 CA--C 1.531 1.036 0 C-N-CA 124.029 0.823 . . . . 0.0 113.346 179.181 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.0 t -76.27 -8.76 57.77 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 118.722 1.261 . . . . 0.0 111.097 178.972 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 9.2 t80 . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 105.55 -2.019 . . . . 0.0 105.55 177.873 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.426 -1.665 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.54 -51.07 60.55 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 177.596 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 26.3 mmt -56.23 -47.81 77.73 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 177.61 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 35.7 mmm -50.99 -60.59 2.93 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.819 0.847 . . . . 0.0 110.509 178.579 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 33.1 m -52.65 -51.98 57.74 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 122.715 0.406 . . . . 0.0 109.915 -179.562 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -58.03 -33.4 68.93 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 111.655 0.243 . . . . 0.0 111.655 179.578 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -80.19 -60.55 2.29 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 -177.53 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.2 m -59.43 -30.19 43.81 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.104 0 CA-C-O 118.435 -0.793 . . . . 0.0 112.708 -169.993 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.55 -16.42 6.0 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 119.336 0.971 . . . . 0.0 112.575 179.947 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -65.1 -24.22 67.37 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 119.182 0.901 . . . . 0.0 110.491 176.403 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -98.19 144.63 27.44 Favored 'General case' 0 N--CA 1.432 -1.338 0 C-N-CA 126.955 2.102 . . . . 0.0 108.049 -179.596 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 58.1 p -90.82 169.45 10.93 Favored 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 127.43 2.292 . . . . 0.0 108.558 177.971 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -49.39 -44.02 44.74 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.817 0.735 . . . . 0.0 112.783 -179.294 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -60.62 -53.5 56.68 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 118.574 0.625 . . . . 0.0 109.799 179.408 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -55.64 -48.31 75.19 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.983 0.913 . . . . 0.0 109.843 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 66.1 mt -60.74 -46.06 91.89 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 124.367 1.067 . . . . 0.0 110.59 179.088 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.4 tptp -61.97 -42.77 99.5 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 179.184 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.23 -45.86 91.44 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.949 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.464 ' HA ' HD23 ' A' ' 72' ' ' LEU . 9.9 mt -54.86 -54.34 43.65 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 177.61 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.69 -45.84 88.59 Favored 'General case' 0 N--CA 1.452 -0.347 0 O-C-N 123.154 0.284 . . . . 0.0 110.511 -178.266 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -54.73 -49.23 71.28 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.213 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -59.87 -60.78 3.29 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 178.123 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 62.1 mtm -49.59 -35.87 22.22 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -179.743 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.6 t -56.7 -28.0 60.06 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.471 -0.768 . . . . 0.0 110.238 179.62 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -123.22 52.02 1.41 Allowed 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 105.197 -2.149 . . . . 0.0 105.197 175.12 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.436 HD21 HG23 ' A' ' 29' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.229 0 C-N-CA 127.05 2.14 . . . . 0.0 111.583 -178.374 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 CA--C 1.533 0.309 0 N-CA-C 112.16 0.429 . . . . 0.0 112.16 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -51.8 -49.37 47.97 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.661 -0.975 . . . . 0.0 110.661 179.618 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.76 -27.27 59.2 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 121.735 -0.862 . . . . 0.0 112.797 179.499 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.85 -48.66 10.52 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 179.715 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 79.3 mt -56.75 -41.86 78.3 Favored 'General case' 0 N--CA 1.442 -0.825 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 179.928 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.49 ' N ' HD21 ' A' ' 72' ' ' LEU . 2.0 t80 -67.94 -8.82 40.14 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 114.746 1.387 . . . . 0.0 114.746 -178.056 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 61.7 mtpt -50.03 -46.56 53.09 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 119.7 1.136 . . . . 0.0 111.954 -179.793 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.3 m -78.09 23.9 0.26 Allowed 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 113.547 0.943 . . . . 0.0 113.547 -178.178 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.1 m -128.36 -33.91 2.1 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 125.743 1.617 . . . . 0.0 109.335 -177.51 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.8 mm -44.85 -38.5 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.478 0 C-N-CA 126.219 1.808 . . . . 0.0 110.355 177.736 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -47.73 -37.8 14.8 Favored Glycine 0 CA--C 1.533 1.215 0 CA-C-O 119.42 -0.656 . . . . 0.0 113.131 178.846 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.0 m -105.19 -43.51 5.0 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 117.96 0.88 . . . . 0.0 111.524 179.867 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.496 ' CE1' HG21 ' A' ' 29' ' ' VAL . 93.3 m-70 -80.7 -29.47 36.47 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 115.024 1.49 . . . . 0.0 115.024 -175.635 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 89.08 151.78 24.74 Favored Glycine 0 CA--C 1.527 0.83 0 N-CA-C 109.732 -1.347 . . . . 0.0 109.732 -177.511 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.97 -26.11 24.13 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.465 1.106 . . . . 0.0 113.084 -178.939 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.0 p-10 -115.65 16.37 16.45 Favored 'General case' 0 N--CA 1.432 -1.35 0 C-N-CA 129.663 3.185 . . . . 0.0 112.331 -177.454 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.416 ' HA3' ' CD2' ' A' ' 79' ' ' LEU . . . 51.74 24.28 12.46 Favored Glycine 0 C--N 1.339 0.71 0 N-CA-C 116.633 1.413 . . . . 0.0 116.633 177.104 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 72.0 p -93.8 -19.18 21.27 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 118.156 0.978 . . . . 0.0 111.789 -178.56 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.7 mptt -75.54 116.38 16.2 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 106.617 -1.623 . . . . 0.0 106.617 -178.736 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.51 80.91 0.57 Allowed 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 -179.485 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -33.68 123.96 0.44 Allowed 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 126.381 1.872 . . . . 0.0 114.289 -176.71 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 22.4 mmt 13.48 -71.43 0.0 OUTLIER 'General case' 0 C--N 1.346 0.435 0 C-N-CA 131.246 3.818 . . . . 0.0 113.674 -179.35 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.38 44.08 1.62 Allowed Glycine 0 CA--C 1.534 1.28 0 CA-C-N 118.694 0.679 . . . . 0.0 111.53 176.963 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 27.9 m 46.34 51.43 11.52 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 127.382 2.273 . . . . 0.0 112.283 178.897 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.2 129.82 43.75 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 117.987 -1.485 . . . . 0.0 111.685 179.639 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -57.9 135.19 83.52 Favored Pre-proline 0 CA--C 1.542 0.66 0 N-CA-C 103.632 -2.729 . . . . 0.0 103.632 173.998 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_endo -39.6 106.56 0.06 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 124.067 3.178 . . . . 0.0 113.09 -174.099 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.496 HG21 ' CE1' ' A' ' 14' ' ' HIS . 52.9 t -55.96 -23.86 16.2 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 C-N-CA 123.863 0.865 . . . . 0.0 110.131 -179.188 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -43.95 90.97 0.0 OUTLIER 'General case' 0 C--N 1.341 0.214 0 CA-C-O 123.39 1.566 . . . . 0.0 113.525 175.404 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 71.75 48.33 28.76 Favored Glycine 0 N--CA 1.443 -0.868 0 CA-C-N 112.062 -2.335 . . . . 0.0 110.24 179.083 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.407 ' HB2' HD21 ' A' ' 37' ' ' LEU . 0.8 OUTLIER -53.78 -36.24 62.19 Favored 'General case' 0 CA--C 1.554 1.103 0 N-CA-C 107.357 -1.349 . . . . 0.0 107.357 179.36 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.18 -110.58 0.32 Allowed Glycine 0 CA--C 1.534 1.275 0 C-N-CA 129.653 3.502 . . . . 0.0 107.669 172.879 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -179.98 -63.76 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 130.349 3.46 . . . . 0.0 102.515 176.15 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 -62.06 -40.1 94.63 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 105.038 -2.208 . . . . 0.0 105.038 172.777 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -53.98 -66.38 0.41 Allowed 'General case' 0 C--N 1.342 0.28 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 176.817 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.407 HD21 ' HB2' ' A' ' 32' ' ' GLN . 8.9 mt -48.83 -42.16 35.29 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 124.921 1.288 . . . . 0.0 111.873 -179.376 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -71.94 -41.22 68.07 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 123.425 0.69 . . . . 0.0 111.566 -178.77 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -66.24 -41.18 90.37 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 -179.544 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 63.3 mmtt -64.53 -51.95 60.23 Favored 'General case' 0 N--CA 1.437 -1.116 0 C-N-CA 124.14 0.976 . . . . 0.0 108.515 -179.715 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 49.4 mtm -62.35 -38.2 88.6 Favored 'General case' 0 C--O 1.214 -0.801 0 CA-C-O 117.784 -1.103 . . . . 0.0 110.319 178.153 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -60.01 -46.39 89.65 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 120.935 1.698 . . . . 0.0 107.583 178.014 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -55.23 -42.59 82.72 Favored Glycine 0 CA--C 1.528 0.884 0 N-CA-C 111.784 -0.526 . . . . 0.0 111.784 177.437 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -74.85 -31.31 61.61 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 117.783 0.792 . . . . 0.0 110.145 177.413 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.56 -45.72 88.36 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 106.66 -1.607 . . . . 0.0 106.66 179.278 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -79.39 -39.39 32.62 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 177.074 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.21 -4.48 22.0 Favored Glycine 0 CA--C 1.53 0.994 0 C-N-CA 125.257 1.408 . . . . 0.0 114.128 177.219 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 27.0 t -72.86 -32.37 65.38 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 118.674 1.237 . . . . 0.0 111.94 -178.517 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 24.3 t80 . . . . . 0 C--N 1.342 0.268 0 CA-C-N 120.239 1.381 . . . . 0.0 108.4 179.627 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.438 -1.027 0 N-CA-C 112.434 0.531 . . . . 0.0 112.434 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.99 -54.2 29.19 Favored 'General case' 0 N--CA 1.456 -0.139 0 CA-C-N 118.259 0.481 . . . . 0.0 109.961 -179.468 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 17.0 tpt -56.95 -47.08 81.52 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 178.711 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 41.3 mmm -54.6 -61.44 2.31 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.704 179.056 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 52.4 m -47.5 -47.87 27.41 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 124.613 1.165 . . . . 0.0 109.969 177.961 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.6 -42.81 97.51 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 118.527 0.603 . . . . 0.0 110.921 179.678 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.27 -31.92 66.19 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.373 0.669 . . . . 0.0 112.669 -178.651 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 79.5 t -87.75 -47.52 15.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 126.169 1.787 . . . . 0.0 114.295 -175.533 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -52.16 -30.1 25.2 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.164 0.986 . . . . 0.0 112.39 -177.505 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.0 ptpp? -70.5 -14.69 62.62 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 118.914 -0.565 . . . . 0.0 112.516 179.288 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -102.41 156.73 17.4 Favored 'General case' 0 N--CA 1.437 -1.09 0 C-N-CA 124.998 1.319 . . . . 0.0 108.755 179.839 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 86.0 p -96.8 162.13 13.56 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 127.207 2.203 . . . . 0.0 109.645 179.519 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -49.44 -40.19 35.84 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 122.921 0.488 . . . . 0.0 112.093 179.885 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -60.65 -54.83 40.6 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 178.945 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -56.64 -48.13 78.22 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.445 0.698 . . . . 0.0 110.067 179.348 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 77.7 mt -58.86 -47.31 85.35 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.816 0.846 . . . . 0.0 110.509 179.346 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -63.32 -38.24 90.39 Favored 'General case' 0 N--CA 1.453 -0.302 0 O-C-N 121.395 -0.815 . . . . 0.0 109.93 179.727 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.41 -44.83 81.92 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 179.035 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.49 HD21 ' N ' ' A' ' 7' ' ' TYR . 9.9 mt -56.44 -50.08 72.71 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 177.815 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.08 -50.51 73.22 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 123.112 0.565 . . . . 0.0 109.86 -179.672 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -52.01 -44.55 64.19 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 176.861 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -63.5 -58.81 5.83 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 178.208 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 56.3 mtm -47.84 -31.24 4.78 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 176.66 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.6 t -59.62 -37.35 78.4 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.205 -0.934 . . . . 0.0 110.749 178.693 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -105.56 33.09 3.89 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.61 1.164 . . . . 0.0 110.415 -179.632 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.416 ' CD2' ' HA3' ' A' ' 18' ' ' GLY . 40.5 tp . . . . . 0 C--O 1.249 1.054 0 C-N-CA 125.261 1.424 . . . . 0.0 110.787 179.463 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 16.3 t0 . . . . . 0 CA--C 1.533 0.292 0 CA-C-O 120.739 0.304 . . . . 0.0 111.714 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -55.06 -43.04 83.16 Favored Glycine 0 CA--C 1.528 0.845 0 N-CA-C 110.383 -1.087 . . . . 0.0 110.383 177.894 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.0 -21.36 66.09 Favored 'General case' 0 N--CA 1.455 -0.191 0 O-C-N 121.788 -0.831 . . . . 0.0 112.374 179.519 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.16 -47.81 8.18 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 107.583 -1.266 . . . . 0.0 107.583 178.342 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 58.4 mt -57.71 -44.48 85.96 Favored 'General case' 0 N--CA 1.441 -0.925 0 CA-C-O 119.289 -0.386 . . . . 0.0 110.233 -179.325 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.413 ' N ' HD21 ' A' ' 72' ' ' LEU . 1.8 t80 -71.53 -8.94 57.13 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 115.568 1.692 . . . . 0.0 115.568 -177.447 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.51 -37.21 72.62 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 119.995 1.271 . . . . 0.0 111.531 -178.47 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.9 m -70.82 -10.58 59.83 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 121.484 -0.76 . . . . 0.0 112.789 179.269 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.5 m -99.47 -34.13 10.39 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 126.607 1.963 . . . . 0.0 110.165 -178.161 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.2 tp -46.52 -30.32 1.25 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 C-N-CA 126.151 1.78 . . . . 0.0 110.773 179.001 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -57.87 -46.69 92.11 Favored Glycine 0 CA--C 1.535 1.324 0 O-C-N 121.514 -0.742 . . . . 0.0 111.514 177.72 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.2 m -83.64 -44.13 14.87 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 117.72 0.76 . . . . 0.0 110.251 -179.758 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 47.1 m80 -79.67 -12.25 59.82 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 115.057 1.503 . . . . 0.0 115.057 -176.167 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.48 157.6 32.57 Favored Glycine 0 CA--C 1.524 0.637 0 O-C-N 120.904 -1.122 . . . . 0.0 110.996 -179.764 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -32.82 -58.99 0.35 Allowed 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 127.037 2.135 . . . . 0.0 113.658 -178.459 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -110.97 33.96 4.3 Favored 'General case' 0 N--CA 1.444 -0.731 0 C-N-CA 125.801 1.641 . . . . 0.0 111.226 -179.647 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 58.77 28.89 63.69 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 121.63 -0.669 . . . . 0.0 112.953 179.642 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.9 p -91.18 -26.58 18.99 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 126.155 1.782 . . . . 0.0 113.204 -177.462 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.05 128.9 37.17 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 -178.663 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.9 84.61 1.24 Allowed 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 105.917 -1.882 . . . . 0.0 105.917 176.824 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -41.72 128.83 3.35 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 124.974 1.309 . . . . 0.0 114.334 -175.374 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 88.8 mmm 22.66 -76.72 0.0 OUTLIER 'General case' 0 C--N 1.342 0.281 0 C-N-CA 131.483 3.913 . . . . 0.0 115.552 178.821 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -53.68 -34.58 50.52 Favored Glycine 0 CA--C 1.528 0.874 0 N-CA-C 111.766 -0.534 . . . . 0.0 111.766 179.564 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 68.1 m 120.12 57.61 0.0 OUTLIER 'General case' 0 N--CA 1.456 -0.15 1 C-N-CA 132.033 4.133 . . . . 0.0 107.354 179.639 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.29 136.85 53.11 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 119.422 -0.911 . . . . 0.0 112.444 -179.723 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.9 pttp -59.28 139.03 88.54 Favored Pre-proline 0 CA--C 1.545 0.772 0 N-CA-C 103.386 -2.82 . . . . 0.0 103.386 172.005 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_endo -46.37 109.38 0.2 Allowed 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 122.985 2.457 . . . . 0.0 113.575 -174.399 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.6 t -55.61 -26.31 19.58 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 C-N-CA 123.964 0.906 . . . . 0.0 109.05 179.414 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.4 tptt -49.55 88.02 0.0 OUTLIER 'General case' 0 C--N 1.343 0.316 0 C-N-CA 126.455 1.902 . . . . 0.0 112.292 176.854 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 76.18 43.72 20.22 Favored Glycine 0 N--CA 1.444 -0.811 0 CA-C-N 112.636 -2.074 . . . . 0.0 110.403 179.296 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -54.06 -35.02 61.57 Favored 'General case' 0 CA--C 1.551 0.986 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 178.516 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 163.21 -129.21 1.98 Allowed Glycine 0 CA--C 1.531 1.078 1 C-N-CA 130.864 4.078 . . . . 0.0 104.469 176.725 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -155.75 -61.6 0.11 Allowed 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 102.406 -3.183 . . . . 0.0 102.406 173.497 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -56.85 -35.74 69.22 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 106.716 -1.586 . . . . 0.0 106.716 173.746 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.7 tp10 -54.65 -73.53 0.05 OUTLIER 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 125.427 1.491 . . . . 0.0 107.873 177.838 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mp -51.76 -38.4 55.28 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.216 -177.746 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -66.62 -42.24 87.12 Favored 'General case' 0 N--CA 1.447 -0.625 0 CA-C-N 118.127 0.421 . . . . 0.0 110.972 179.63 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -67.82 -41.98 82.19 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 -179.343 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.7 mmtp -65.85 -44.68 84.76 Favored 'General case' 0 N--CA 1.436 -1.174 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 -179.14 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 61.4 mtm -67.18 -37.52 83.85 Favored 'General case' 0 C--O 1.218 -0.569 0 CA-C-O 118.246 -0.883 . . . . 0.0 109.711 177.804 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -58.54 -42.88 88.83 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 106.734 -1.58 . . . . 0.0 106.734 176.704 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.39 -56.42 25.18 Favored Glycine 0 CA--C 1.532 1.104 0 N-CA-C 110.275 -1.13 . . . . 0.0 110.275 176.648 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -61.71 -33.33 73.82 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.869 1.334 . . . . 0.0 112.156 -179.686 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.24 -52.7 42.23 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 124.889 1.275 . . . . 0.0 109.36 -178.838 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.25 -40.04 17.07 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 178.757 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 119.06 26.19 2.56 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 126.218 1.866 . . . . 0.0 112.316 -179.791 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.3 t -100.15 35.51 2.06 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.892 1.277 . . . . 0.0 111.485 -179.672 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 27.3 t80 . . . . . 0 C--O 1.231 0.092 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 177.349 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.0 pttp . . . . . 0 N--CA 1.441 -0.886 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.4 -50.5 63.23 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 123.482 0.713 . . . . 0.0 110.392 -178.532 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -59.51 -44.29 93.16 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 107.329 -1.36 . . . . 0.0 107.329 178.757 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 33.6 mmm -56.32 -62.82 1.46 Allowed 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.409 178.595 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 53.0 m -44.82 -51.39 9.54 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 125.419 1.487 . . . . 0.0 109.675 177.47 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -58.88 -45.32 90.47 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 122.081 -0.387 . . . . 0.0 111.564 179.793 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.7 -26.44 62.5 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -178.247 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 56.3 t -89.37 -49.41 13.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 C-N-CA 125.623 1.569 . . . . 0.0 113.135 -177.264 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 25.7 tttp -49.73 -29.04 6.91 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.386 1.475 . . . . 0.0 112.96 -177.429 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.0 -25.23 66.99 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 179.309 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -88.82 165.48 14.64 Favored 'General case' 0 N--CA 1.436 -1.159 0 CA-C-O 123.605 1.669 . . . . 0.0 110.989 -178.756 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 89.8 p -100.83 161.43 13.6 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 128.208 2.603 . . . . 0.0 108.548 178.614 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -52.34 -41.66 63.22 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 111.902 0.334 . . . . 0.0 111.902 -179.199 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -59.4 -53.84 53.61 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.346 0.658 . . . . 0.0 109.352 178.877 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -56.8 -46.06 81.8 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 122.897 0.479 . . . . 0.0 109.834 179.073 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 47.9 mt -58.14 -48.52 80.0 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.361 0.664 . . . . 0.0 110.565 178.992 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.4 ttpp -60.9 -47.26 87.19 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.327 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.92 -43.69 94.74 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 -178.832 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.413 HD21 ' N ' ' A' ' 7' ' ' TYR . 11.1 mt -56.92 -60.24 3.86 Favored 'General case' 0 N--CA 1.441 -0.918 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 177.877 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -50.01 -48.22 52.61 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 118.211 0.46 . . . . 0.0 111.223 -178.568 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -52.17 -46.83 65.67 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 108.739 -0.838 . . . . 0.0 108.739 177.297 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -63.96 -53.89 43.15 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-O 118.38 -0.819 . . . . 0.0 109.22 177.466 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.5 mpp? -48.89 -32.85 9.61 Favored 'General case' 0 C--N 1.346 0.419 0 CA-C-N 119.637 1.108 . . . . 0.0 112.659 178.415 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.5 t -55.52 -32.7 63.13 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.805 -0.559 . . . . 0.0 111.819 178.66 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.1 ttpp -141.44 67.82 1.34 Allowed 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 123.945 0.898 . . . . 0.0 108.728 179.174 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.251 1.169 0 CA-C-O 117.225 -1.369 . . . . 0.0 111.793 178.47 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 . . . . . 0 CA--C 1.523 -0.066 0 N-CA-C 107.232 -1.395 . . . . 0.0 107.232 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.8 73.06 0.97 Allowed Glycine 0 N--CA 1.439 -1.155 1 N-CA-C 100.713 -4.955 . . . . 0.0 100.713 -170.281 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 131.2 -50.88 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.4 1 C-N-CA 131.971 4.109 . . . . 0.0 106.476 -174.827 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.25 -26.12 60.99 Favored 'General case' 0 C--N 1.345 0.401 0 C-N-CA 119.493 -0.883 . . . . 0.0 111.13 -178.026 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.426 ' C ' HD21 ' A' ' 72' ' ' LEU . 17.5 mt -81.12 -34.31 32.62 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 118.8 0.727 . . . . 0.0 110.081 -179.925 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.485 ' N ' HD21 ' A' ' 72' ' ' LEU . 1.9 t80 -75.34 -10.87 59.85 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 115.177 1.547 . . . . 0.0 115.177 -177.766 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -49.21 -43.18 42.17 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.378 -0.826 . . . . 0.0 112.745 -179.217 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.4 m -74.68 -5.29 42.35 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 113.542 0.941 . . . . 0.0 113.542 -177.852 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.7 m -101.28 -36.88 8.74 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 126.767 2.027 . . . . 0.0 109.595 -177.26 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -46.3 -31.72 1.44 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 C-N-CA 125.659 1.584 . . . . 0.0 109.516 176.889 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -52.1 -44.31 56.79 Favored Glycine 0 CA--C 1.537 1.408 0 CA-C-O 119.387 -0.674 . . . . 0.0 112.546 177.655 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.6 m -96.48 -44.92 6.97 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 118.344 1.072 . . . . 0.0 110.526 179.547 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.409 ' HB3' ' HA2' ' A' ' 18' ' ' GLY . 95.4 m-70 -74.86 -17.39 60.6 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 114.193 1.183 . . . . 0.0 114.193 -175.726 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.13 159.78 34.28 Favored Glycine 0 CA--C 1.529 0.917 0 N-CA-C 110.518 -1.033 . . . . 0.0 110.518 -179.302 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -32.89 -58.45 0.36 Allowed 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 127.027 2.131 . . . . 0.0 113.873 -178.311 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.9 p-10 -110.73 43.57 1.4 Allowed 'General case' 0 N--CA 1.437 -1.113 0 C-N-CA 127.27 2.228 . . . . 0.0 109.59 -179.151 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.409 ' HA2' ' HB3' ' A' ' 14' ' ' HIS . . . 37.67 29.89 0.05 OUTLIER Glycine 0 CA--C 1.535 1.299 0 C-N-CA 127.177 2.322 . . . . 0.0 115.622 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.1 p -79.36 -31.35 42.91 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 126.442 1.897 . . . . 0.0 113.305 -178.454 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -71.65 129.9 39.84 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 121.734 0.778 . . . . 0.0 110.094 -178.457 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.52 83.79 0.42 Allowed 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 106.04 -1.837 . . . . 0.0 106.04 176.158 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -43.25 140.35 1.59 Allowed 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 126.264 1.826 . . . . 0.0 115.679 -176.859 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 11.1 tpt 29.49 -89.63 0.0 OUTLIER 'General case' 0 C--N 1.339 0.137 0 C-N-CA 129.066 2.946 . . . . 0.0 113.574 178.573 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.61 42.38 1.75 Allowed Glycine 0 CA--C 1.528 0.902 0 CA-C-N 118.708 0.685 . . . . 0.0 112.361 -179.757 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.9 m 51.65 57.95 6.01 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 125.295 1.438 . . . . 0.0 109.774 -178.868 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.38 151.65 9.73 Favored 'General case' 0 N--CA 1.442 -0.858 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 -178.545 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm -56.01 124.75 60.61 Favored Pre-proline 0 CA--C 1.537 0.462 0 N-CA-C 102.722 -3.066 . . . . 0.0 102.722 172.445 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_endo -47.75 115.66 1.54 Allowed 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 121.946 1.764 . . . . 0.0 110.158 -176.707 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 71.8 t -59.6 -40.87 83.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 N-CA-C 107.173 -1.417 . . . . 0.0 107.173 -178.228 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.4 tmtm? -58.09 101.66 0.08 Allowed 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 121.784 0.802 . . . . 0.0 109.679 172.33 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 122.47 -17.75 8.33 Favored Glycine 0 N--CA 1.45 -0.411 0 CA-C-N 113.759 -1.564 . . . . 0.0 111.625 178.786 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -66.13 142.7 57.67 Favored 'General case' 0 N--CA 1.44 -0.953 0 N-CA-C 106.481 -1.674 . . . . 0.0 106.481 178.216 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -82.46 141.96 21.64 Favored Glycine 0 CA--C 1.525 0.715 0 CA-C-O 119.061 -0.855 . . . . 0.0 112.741 -176.076 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -43.94 -55.55 4.53 Favored 'General case' 0 CA--C 1.518 -0.287 0 C-N-CA 126.354 1.862 . . . . 0.0 111.403 -179.113 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -53.85 -48.78 69.64 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 -179.453 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -58.88 -54.94 41.46 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 123.654 0.781 . . . . 0.0 109.861 -179.312 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 24.5 mt -51.6 -48.71 63.11 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 125.152 1.381 . . . . 0.0 110.22 179.693 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.79 -53.26 58.32 Favored 'General case' 0 C--O 1.223 -0.309 0 C-N-CA 124.235 1.014 . . . . 0.0 110.177 -179.397 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -54.31 -53.07 58.79 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 124.979 1.312 . . . . 0.0 109.926 -178.265 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -58.47 -49.76 76.16 Favored 'General case' 0 N--CA 1.435 -1.179 0 C-N-CA 125.471 1.508 . . . . 0.0 109.505 179.188 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 56.7 mtm -61.72 -38.39 87.72 Favored 'General case' 0 C--O 1.219 -0.528 0 CA-C-O 118.307 -0.854 . . . . 0.0 110.364 178.281 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.1 tptp -60.01 -42.32 94.06 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 107.328 -1.36 . . . . 0.0 107.328 178.55 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -56.36 -55.09 31.38 Favored Glycine 0 CA--C 1.527 0.837 0 N-CA-C 110.592 -1.003 . . . . 0.0 110.592 177.086 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.425 ' CE1' ' CD2' ' A' ' 49' ' ' TYR . 19.8 m-85 -61.31 -45.73 93.24 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 118.419 1.109 . . . . 0.0 109.998 179.759 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.08 -45.47 61.45 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 125.88 1.672 . . . . 0.0 109.566 179.658 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -89.91 3.53 52.77 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.518 0.727 . . . . 0.0 112.288 -178.331 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 60.1 27.87 65.62 Favored Glycine 0 CA--C 1.535 1.286 0 CA-C-N 119.123 0.874 . . . . 0.0 111.548 -177.888 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.7 t -107.25 20.04 19.51 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.724 1.61 . . . . 0.0 111.006 -179.509 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.425 ' CD2' ' CE1' ' A' ' 44' ' ' TYR . 7.8 t80 . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 103.859 -2.645 . . . . 0.0 103.859 179.196 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.425 -1.722 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.87 -43.41 94.71 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 120.321 1.419 . . . . 0.0 108.29 176.941 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 65.0 mtt -60.64 -46.79 88.97 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 178.492 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 43.3 mmm -54.85 -58.73 6.42 Favored 'General case' 0 C--O 1.223 -0.303 0 C-N-CA 123.182 0.593 . . . . 0.0 109.85 178.402 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 41.2 m -46.09 -48.25 17.1 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 125.079 1.352 . . . . 0.0 109.534 177.744 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.53 -42.74 99.72 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 118.082 0.401 . . . . 0.0 110.65 178.831 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.75 -27.57 66.03 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.42 1.088 . . . . 0.0 112.604 -179.498 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 60.3 t -92.54 -42.98 13.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 125.947 1.699 . . . . 0.0 113.737 -175.967 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 55.0 mttm -55.37 -27.6 48.48 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 119.61 1.095 . . . . 0.0 113.056 -178.144 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.6 ptpp? -69.73 -13.48 62.31 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 178.104 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -103.17 -173.89 2.42 Favored 'General case' 0 N--CA 1.441 -0.892 0 C-N-CA 125.936 1.694 . . . . 0.0 107.995 178.728 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 28.9 t -156.44 166.31 33.78 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 126.205 1.802 . . . . 0.0 107.749 -178.565 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -29.43 -52.82 0.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 127.313 2.245 . . . . 0.0 114.701 -176.549 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -62.17 -52.02 65.48 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 121.603 0.716 . . . . 0.0 110.88 -178.65 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 33.9 mp0 -63.47 -43.44 97.3 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 123.679 0.792 . . . . 0.0 109.371 -179.777 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 87.5 mt -59.88 -46.6 88.8 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.137 0.575 . . . . 0.0 109.685 179.083 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.6 ttpp -58.41 -49.75 76.16 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 177.755 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.87 -45.73 82.3 Favored 'General case' 0 C--N 1.341 0.2 0 C-N-CA 123.431 0.693 . . . . 0.0 109.587 -179.866 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.485 HD21 ' N ' ' A' ' 7' ' ' TYR . 16.4 mt -61.49 -49.4 76.93 Favored 'General case' 0 N--CA 1.443 -0.818 0 O-C-N 121.964 -0.46 . . . . 0.0 111.416 179.542 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.22 -41.68 93.57 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 -179.653 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -56.43 -45.92 80.52 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 177.408 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -60.69 -61.44 2.58 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 178.112 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.4 ' SD ' ' CE1' ' A' ' 7' ' ' TYR . 56.0 mtm -48.7 -41.95 33.36 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 178.97 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.1 t -65.32 -13.42 58.45 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 117.629 -1.177 . . . . 0.0 113.174 -178.649 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 37.4 mtmm -90.75 -3.71 57.24 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 119.729 1.149 . . . . 0.0 111.017 177.67 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.9 mp . . . . . 0 C--O 1.252 1.207 0 CA-C-O 117.202 -1.38 . . . . 0.0 109.236 176.875 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 63.7 t0 . . . . . 0 C--O 1.226 -0.175 0 CA-C-O 119.478 -0.296 . . . . 0.0 111.452 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -51.28 -39.38 43.0 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 109.061 -1.615 . . . . 0.0 109.061 176.177 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.405 ' HB2' ' CE1' ' A' ' 75' ' ' TYR . . . -55.8 -22.5 24.97 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 117.577 -1.202 . . . . 0.0 113.376 179.244 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -95.2 -14.92 23.66 Favored 'General case' 0 C--N 1.345 0.408 0 CA-C-N 120.613 1.551 . . . . 0.0 109.946 -178.146 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.43 -40.62 11.93 Favored 'General case' 0 N--CA 1.428 -1.559 0 C-N-CA 125.117 1.367 . . . . 0.0 107.613 -178.342 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -67.84 -12.99 61.76 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 -179.765 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -49.95 -47.06 52.77 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 119.723 1.147 . . . . 0.0 112.833 -179.629 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.0 p -65.25 -24.07 67.23 Favored 'General case' 0 CA--C 1.533 0.31 0 O-C-N 121.546 -0.721 . . . . 0.0 112.662 -179.586 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.2 m -85.22 -37.82 19.65 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 126.68 1.992 . . . . 0.0 109.702 -176.26 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -45.97 -31.43 1.24 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 C-N-CA 126.463 1.905 . . . . 0.0 110.736 179.32 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -58.02 -42.45 94.97 Favored Glycine 0 CA--C 1.535 1.34 0 O-C-N 121.114 -0.991 . . . . 0.0 112.292 178.163 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.5 t -93.11 -44.72 8.23 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 123.831 0.852 . . . . 0.0 110.044 -179.392 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 -73.96 -9.31 58.51 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.435 1.094 . . . . 0.0 112.937 -178.951 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 71.85 179.67 32.92 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 111.423 -0.671 . . . . 0.0 111.423 179.75 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.35 99.24 0.04 OUTLIER 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 114.426 -0.887 . . . . 0.0 110.122 179.944 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.401 ' HB3' HD22 ' A' ' 79' ' ' LEU . 54.4 m-20 59.56 62.56 1.72 Allowed 'General case' 0 N--CA 1.437 -1.102 0 C-N-CA 126.609 1.964 . . . . 0.0 110.695 175.873 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 57.5 19.14 32.91 Favored Glycine 0 C--N 1.339 0.699 0 C-N-CA 125.925 1.726 . . . . 0.0 116.724 176.327 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.7 m -80.43 -26.77 38.22 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 118.431 1.115 . . . . 0.0 113.712 -178.471 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -91.37 135.99 33.42 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-N 119.272 0.942 . . . . 0.0 110.377 -178.098 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.5 80.67 2.53 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.835 179.937 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.402 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -26.28 118.46 0.07 Allowed 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 128.135 2.574 . . . . 0.0 112.886 179.031 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 20.8 mmt 14.54 -71.38 0.0 OUTLIER 'General case' 0 C--N 1.349 0.562 0 C-N-CA 131.022 3.729 . . . . 0.0 114.503 -178.165 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.08 41.3 1.08 Allowed Glycine 0 CA--C 1.533 1.157 0 CA-C-N 118.892 0.769 . . . . 0.0 111.949 177.706 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 31.2 m 49.63 52.72 14.02 Favored 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 127.099 2.16 . . . . 0.0 111.416 179.467 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.402 ' HB2' ' HB3' ' A' ' 22' ' ' ALA . . . -56.65 135.88 54.91 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 117.778 -1.569 . . . . 0.0 112.231 179.436 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -59.94 118.09 29.3 Favored Pre-proline 0 C--O 1.236 0.344 0 N-CA-C 101.819 -3.4 . . . . 0.0 101.819 173.527 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_exo -31.55 118.29 0.07 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.812 0 C-N-CA 124.123 3.215 . . . . 0.0 112.702 -174.783 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.2 t -59.71 -33.29 51.64 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 N-CA-C 106.171 -1.788 . . . . 0.0 106.171 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 43.8 tttp -61.08 99.92 0.11 Allowed 'General case' 0 N--CA 1.448 -0.549 0 CA-C-O 121.68 0.753 . . . . 0.0 109.899 173.995 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 123.84 -16.26 7.83 Favored Glycine 0 CA--C 1.522 0.491 0 CA-C-N 114.008 -1.451 . . . . 0.0 111.601 178.945 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -67.57 149.04 50.64 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 178.763 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -85.63 146.18 21.4 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 121.208 -0.933 . . . . 0.0 114.516 -175.808 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -49.1 -49.46 41.68 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 118.933 1.366 . . . . 0.0 111.955 -179.347 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -55.9 -48.24 76.01 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 179.734 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -56.37 -64.5 0.84 Allowed 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 124.741 1.216 . . . . 0.0 108.13 179.071 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.3 mt -49.36 -43.38 43.92 Favored 'General case' 0 N--CA 1.444 -0.73 0 C-N-CA 125.736 1.614 . . . . 0.0 112.171 -178.848 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -71.99 -42.11 66.84 Favored 'General case' 0 N--CA 1.445 -0.688 0 O-C-N 121.844 -0.535 . . . . 0.0 110.413 -178.608 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.7 tttp -62.64 -41.28 98.95 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 179.771 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.0 mmtp -67.81 -49.03 64.53 Favored 'General case' 0 N--CA 1.434 -1.228 0 C-N-CA 123.082 0.553 . . . . 0.0 110.231 -178.421 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 69.2 mtm -65.53 -37.29 86.31 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.721 179.44 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -59.47 -45.68 90.96 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 105.971 -1.863 . . . . 0.0 105.971 176.251 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -53.6 -56.63 19.17 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 110.646 -0.982 . . . . 0.0 110.646 177.339 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -62.12 -46.17 90.24 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 118.852 1.326 . . . . 0.0 110.672 -179.614 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.02 -46.05 52.54 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.995 1.318 . . . . 0.0 109.299 179.244 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -92.13 10.3 29.89 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.45 1.1 . . . . 0.0 112.628 -179.259 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 52.6 36.2 47.43 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 124.55 1.072 . . . . 0.0 113.32 -179.796 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 21.9 t -123.21 33.93 5.25 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.74 1.616 . . . . 0.0 112.286 -178.26 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 41.8 t80 . . . . . 0 C--O 1.231 0.082 0 N-CA-C 107.429 -1.323 . . . . 0.0 107.429 178.756 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.3 pttm . . . . . 0 N--CA 1.441 -0.879 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.87 -53.96 46.18 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 122.908 0.483 . . . . 0.0 109.824 -178.81 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -57.68 -46.38 84.38 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 178.928 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 17.1 mmm -55.73 -51.49 67.15 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 123.55 0.74 . . . . 0.0 111.592 179.428 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 82.4 m -56.63 -51.0 70.37 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 179.008 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.46 -35.6 70.36 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 178.476 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.86 -50.45 64.49 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 123.457 0.703 . . . . 0.0 111.142 -179.442 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.3 m -81.5 -27.49 10.19 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 C-N-CA 119.346 -0.941 . . . . 0.0 112.403 -176.153 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -70.24 77.89 0.53 Allowed 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 122.923 1.344 . . . . 0.0 111.761 -178.526 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.1 pttt -168.44 -35.57 0.02 OUTLIER 'General case' 0 N--CA 1.445 -0.718 1 C-N-CA 132.696 4.399 . . . . 0.0 106.655 177.692 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -78.51 -174.66 3.93 Favored 'General case' 0 N--CA 1.435 -1.205 0 CA-C-O 123.176 1.465 . . . . 0.0 109.037 177.205 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 28.6 t -154.27 169.59 23.3 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 128.515 2.726 . . . . 0.0 106.287 -178.5 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -36.31 -52.18 0.81 Allowed 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 125.563 1.545 . . . . 0.0 114.256 -176.651 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -61.74 -53.71 52.39 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 121.166 0.508 . . . . 0.0 110.51 -178.36 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -59.28 -43.74 92.52 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.391 0.676 . . . . 0.0 109.721 179.961 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 48.6 mt -61.19 -47.29 86.84 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.812 0.845 . . . . 0.0 110.212 179.434 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -62.25 -41.06 98.11 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 179.047 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.1 -46.38 84.49 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.746 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 72' ' ' LEU . 13.3 mt -54.64 -58.64 6.71 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 177.797 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.07 -39.94 69.8 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 118.851 -0.595 . . . . 0.0 110.352 -177.841 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -58.39 -50.12 74.83 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 177.463 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.405 ' CE1' ' HB2' ' A' ' 4' ' ' ALA . 75.9 t80 -57.83 -59.59 5.01 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 178.679 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.2 mtp -51.87 -38.39 55.89 Favored 'General case' 0 CA--C 1.539 0.558 0 O-C-N 121.567 -0.708 . . . . 0.0 112.776 178.282 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.8 t -73.91 -9.5 58.7 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 120.812 -1.18 . . . . 0.0 112.711 179.556 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 24.1 ttpp -94.15 -5.26 47.53 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 177.827 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.401 HD22 ' HB3' ' A' ' 17' ' ' ASP . 91.9 mt . . . . . 0 C--O 1.25 1.107 0 CA-C-O 117.124 -1.417 . . . . 0.0 109.581 178.084 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 CA--C 1.529 0.138 0 CA-C-O 121.87 0.843 . . . . 0.0 112.717 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -50.88 -50.83 36.55 Favored Glycine 0 CA--C 1.526 0.768 0 CA-C-N 115.337 -0.847 . . . . 0.0 112.005 -179.098 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.0 -19.87 63.3 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.717 -0.872 . . . . 0.0 112.986 -179.423 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.81 -49.3 6.91 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 178.608 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.455 ' HB2' HD21 ' A' ' 72' ' ' LEU . 89.4 mt -58.51 -44.68 89.58 Favored 'General case' 0 N--CA 1.439 -0.977 0 CA-C-O 119.245 -0.407 . . . . 0.0 110.384 -179.395 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.488 ' HD1' HD22 ' A' ' 72' ' ' LEU . 1.5 t80 -63.94 -13.82 48.82 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 118.445 -1.302 . . . . 0.0 114.41 -177.912 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -59.32 -31.79 69.48 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 119.804 1.184 . . . . 0.0 110.185 177.915 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.2 m -75.45 -3.13 32.12 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.69 -0.631 . . . . 0.0 112.689 179.094 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.4 m -111.77 -35.46 5.73 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 126.77 2.028 . . . . 0.0 111.162 -176.899 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.8 tp -41.56 -34.51 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 C-N-CA 126.44 1.896 . . . . 0.0 112.523 -179.269 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -50.21 -46.09 43.47 Favored Glycine 0 CA--C 1.533 1.171 0 C-N-CA 123.725 0.679 . . . . 0.0 112.816 179.242 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 10.6 m -85.79 -43.94 12.91 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 118.104 0.952 . . . . 0.0 110.674 -179.5 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 31.3 m80 -74.32 -10.91 60.06 Favored 'General case' 0 N--CA 1.434 -1.25 0 C-N-CA 126.621 1.968 . . . . 0.0 115.768 -176.121 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.15 147.49 3.94 Favored Glycine 0 CA--C 1.527 0.806 0 N-CA-C 109.662 -1.375 . . . . 0.0 109.662 -179.045 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.67 64.25 4.48 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 106.648 -1.612 . . . . 0.0 106.648 176.632 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.6 p30 179.17 -21.38 0.0 OUTLIER 'General case' 0 N--CA 1.435 -1.208 0 C-N-CA 129.915 3.286 . . . . 0.0 112.241 -174.567 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.519 ' HA3' ' CD2' ' A' ' 79' ' ' LEU . . . 69.12 -1.05 12.29 Favored Glycine 0 C--N 1.339 0.75 0 CA-C-N 120.3 1.409 . . . . 0.0 115.521 179.305 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.9 p -89.63 -27.43 20.18 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 123.98 0.912 . . . . 0.0 109.386 179.552 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.0 tttm -58.85 115.82 3.35 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 178.195 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.08 83.39 0.22 Allowed 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 -179.771 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -36.23 128.65 0.73 Allowed 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 126.321 1.848 . . . . 0.0 114.598 -177.181 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 26.4 mmt 24.38 -82.03 0.0 OUTLIER 'General case' 0 C--N 1.343 0.295 0 C-N-CA 130.197 3.399 . . . . 0.0 113.154 179.073 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.95 46.37 2.08 Favored Glycine 0 CA--C 1.532 1.096 0 N-CA-C 111.835 -0.506 . . . . 0.0 111.835 178.749 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.4 m 49.02 54.95 10.05 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 126.419 1.888 . . . . 0.0 111.43 178.207 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.12 146.74 37.65 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 -178.604 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.2 mtmm -60.37 127.26 86.2 Favored Pre-proline 0 CA--C 1.537 0.468 0 N-CA-C 103.737 -2.69 . . . . 0.0 103.737 173.938 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo -46.51 108.34 0.15 Allowed 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 123.167 2.578 . . . . 0.0 110.268 -176.757 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.1 t -57.54 -38.73 65.32 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 C-N-CA 123.956 0.902 . . . . 0.0 109.149 -177.118 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.1 ttmm -38.97 100.29 0.02 OUTLIER 'General case' 0 C--N 1.342 0.251 0 CA-C-O 122.896 1.331 . . . . 0.0 113.821 179.869 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 59.21 45.64 95.05 Favored Glycine 0 N--CA 1.444 -0.78 0 CA-C-N 112.463 -2.153 . . . . 0.0 110.139 177.664 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.424 ' HB2' HD21 ' A' ' 37' ' ' LEU . 2.1 mt-30 -55.34 -44.44 75.9 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 -178.919 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -172.83 -107.27 0.2 Allowed Glycine 0 CA--C 1.531 1.039 0 C-N-CA 128.008 2.718 . . . . 0.0 106.335 174.648 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 174.7 -56.8 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 130.874 3.669 . . . . 0.0 101.946 176.851 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -64.24 -42.21 96.64 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 105.682 -1.97 . . . . 0.0 105.682 173.075 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -57.97 -64.2 0.99 Allowed 'General case' 0 C--N 1.343 0.319 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 177.759 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.424 HD21 ' HB2' ' A' ' 32' ' ' GLN . 24.3 mt -45.76 -48.83 15.38 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 125.213 1.405 . . . . 0.0 110.626 179.008 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -61.37 -55.23 33.87 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 123.959 0.903 . . . . 0.0 111.378 179.668 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -56.55 -42.17 78.08 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.139 0.575 . . . . 0.0 110.007 -179.244 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 57.5 mmtt -64.56 -55.33 21.16 Favored 'General case' 0 N--CA 1.438 -1.055 0 C-N-CA 123.637 0.775 . . . . 0.0 110.176 -178.736 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.52 -39.91 89.56 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 -179.444 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -60.55 -43.6 97.05 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 178.058 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -51.84 -46.66 54.69 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 109.619 -1.392 . . . . 0.0 109.619 176.629 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -69.57 -40.49 76.72 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 118.11 0.955 . . . . 0.0 109.977 177.995 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.09 -52.99 59.24 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 124.568 1.147 . . . . 0.0 110.621 -179.703 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -81.33 -26.68 35.42 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.191 0.597 . . . . 0.0 110.942 179.651 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.45 5.89 55.42 Favored Glycine 0 CA--C 1.53 1.016 0 C-N-CA 124.629 1.109 . . . . 0.0 113.958 178.21 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.2 t -84.9 28.38 0.69 Allowed 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 119.206 1.503 . . . . 0.0 111.492 -179.853 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 13.2 t80 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 105.03 -2.211 . . . . 0.0 105.03 -179.747 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.7 mtmt . . . . . 0 N--CA 1.434 -1.251 0 N-CA-C 110.523 -0.177 . . . . 0.0 110.523 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.13 -47.2 65.72 Favored 'General case' 0 C--O 1.233 0.21 0 O-C-N 120.81 -1.181 . . . . 0.0 108.117 178.062 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.6 mpp? -57.67 -44.55 85.83 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.981 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 31.3 mmm -52.99 -64.11 0.93 Allowed 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 124.066 0.946 . . . . 0.0 109.134 177.801 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 90.4 m -44.28 -50.58 8.89 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.819 1.248 . . . . 0.0 109.856 178.015 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -61.01 -43.89 98.22 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 119.48 -0.295 . . . . 0.0 111.696 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.09 -41.5 86.2 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-O 121.694 0.759 . . . . 0.0 110.971 -178.747 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 66.2 t -71.49 -38.35 67.75 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.631 0 C-N-CA 126.153 1.781 . . . . 0.0 113.16 -177.571 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.0 tppt? -45.39 -34.64 3.17 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -176.428 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 25.7 pttm -74.02 -15.46 61.09 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 -178.235 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -84.37 176.1 8.92 Favored 'General case' 0 N--CA 1.44 -0.969 0 CA-C-O 123.607 1.67 . . . . 0.0 111.397 -178.925 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.2 t -137.56 167.76 21.02 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 128.009 2.524 . . . . 0.0 107.815 178.557 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -40.4 -51.88 2.79 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 126.254 1.822 . . . . 0.0 113.197 -177.406 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -60.19 -47.88 84.07 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-O 121.377 0.608 . . . . 0.0 110.606 -179.042 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -63.79 -45.63 88.87 Favored 'General case' 0 N--CA 1.445 -0.695 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 -178.574 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 47.6 mt -58.85 -50.75 72.84 Favored 'General case' 0 N--CA 1.457 -0.096 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 177.994 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -57.87 -43.2 85.84 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 123.056 0.543 . . . . 0.0 110.001 -179.819 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.78 -47.12 76.24 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 -179.742 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.488 HD22 ' HD1' ' A' ' 7' ' ' TYR . 11.9 mt -58.89 -49.35 78.1 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 179.727 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.49 -49.34 77.95 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 -179.412 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -51.7 -45.54 63.56 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 176.457 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -62.86 -58.99 5.5 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 178.208 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 68.0 mtm -48.21 -30.39 4.65 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 118.911 0.778 . . . . 0.0 112.691 177.551 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.9 t -54.85 -36.58 65.22 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.17 -0.956 . . . . 0.0 109.802 177.457 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -122.37 45.71 2.3 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 127.548 2.339 . . . . 0.0 108.475 179.455 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.519 ' CD2' ' HA3' ' A' ' 18' ' ' GLY . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.105 0 C-N-CA 126.231 1.812 . . . . 0.0 111.26 -178.885 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 . . . . . 0 CA--C 1.535 0.369 0 N-CA-C 106.616 -1.624 . . . . 0.0 106.616 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 75.33 81.43 0.51 Allowed Glycine 0 N--CA 1.441 -1.006 1 N-CA-C 101.472 -4.651 . . . . 0.0 101.472 -171.308 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 119.66 -31.67 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 130.256 3.422 . . . . 0.0 107.517 -174.414 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.63 -19.8 23.26 Favored 'General case' 0 C--N 1.346 0.431 0 C-N-CA 118.753 -1.179 . . . . 0.0 110.352 -177.805 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.663 ' CB ' HD13 ' A' ' 72' ' ' LEU . 16.1 mt -88.68 -21.87 23.69 Favored 'General case' 0 N--CA 1.434 -1.269 0 C-N-CA 118.869 -1.132 . . . . 0.0 108.218 -177.631 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -84.97 -9.21 58.29 Favored 'General case' 0 C--N 1.346 0.431 0 N-CA-C 114.922 1.452 . . . . 0.0 114.922 -178.055 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -51.3 -48.4 62.31 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 119.463 1.028 . . . . 0.0 112.44 -178.253 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.8 m -76.33 27.49 0.12 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.696 1.198 . . . . 0.0 113.267 -178.29 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.0 m -130.5 -36.31 1.45 Allowed 'General case' 0 C--O 1.235 0.322 0 C-N-CA 126.196 1.799 . . . . 0.0 108.931 -177.947 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 23.6 mm -45.46 -33.7 1.38 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 C-N-CA 126.445 1.898 . . . . 0.0 110.607 178.017 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -52.64 -45.19 60.18 Favored Glycine 0 CA--C 1.535 1.341 0 CA-C-N 118.539 0.608 . . . . 0.0 112.191 178.269 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 11.8 m -90.59 -43.29 10.28 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 117.779 0.789 . . . . 0.0 111.233 -179.473 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 23.2 m80 -80.6 -32.41 36.43 Favored 'General case' 0 N--CA 1.436 -1.167 0 N-CA-C 116.618 2.081 . . . . 0.0 116.618 -174.392 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 94.48 158.93 33.59 Favored Glycine 0 CA--C 1.528 0.866 0 N-CA-C 109.421 -1.471 . . . . 0.0 109.421 -177.47 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.74 -43.19 12.74 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 125.089 1.356 . . . . 0.0 113.463 -178.091 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.405 ' HA ' HD22 ' A' ' 79' ' ' LEU . 17.8 p-10 -109.54 26.45 10.63 Favored 'General case' 0 N--CA 1.435 -1.22 0 C-N-CA 127.903 2.481 . . . . 0.0 110.739 -178.634 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 44.14 40.89 6.01 Favored Glycine 0 CA--C 1.528 0.874 0 C-N-CA 124.937 1.256 . . . . 0.0 114.191 179.078 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.1 p -91.08 -32.08 16.01 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 125.217 1.407 . . . . 0.0 112.353 -178.51 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -64.53 121.72 15.09 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 -178.242 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.99 82.08 1.72 Allowed 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 106.464 -1.68 . . . . 0.0 106.464 177.631 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.76 145.93 4.85 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 125.203 1.401 . . . . 0.0 114.68 -176.425 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 13.6 mmt 27.8 -89.34 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 129.634 3.174 . . . . 0.0 114.43 179.154 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.37 -33.76 53.55 Favored Glycine 0 CA--C 1.526 0.767 0 C-N-CA 123.547 0.594 . . . . 0.0 113.272 -178.525 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 41.5 t 122.16 60.2 0.0 OUTLIER 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 130.758 3.623 . . . . 0.0 105.251 -178.642 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.58 134.45 24.23 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 -177.435 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.6 mtmm -60.11 121.12 56.7 Favored Pre-proline 0 N--CA 1.451 -0.41 0 N-CA-C 102.811 -3.033 . . . . 0.0 102.811 174.334 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -31.68 103.14 0.03 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 124.387 3.391 . . . . 0.0 113.039 -177.356 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.4 t -53.98 -34.3 25.8 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 -179.326 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.8 tmtm? -37.17 90.59 0.0 OUTLIER 'General case' 0 CA--C 1.52 -0.178 0 C-N-CA 127.907 2.483 . . . . 0.0 114.547 175.289 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 65.19 44.31 94.1 Favored Glycine 0 N--CA 1.444 -0.795 0 CA-C-N 111.932 -2.395 . . . . 0.0 110.476 177.551 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.496 ' HB2' HD21 ' A' ' 37' ' ' LEU . 2.8 mt-30 -52.51 -43.2 64.94 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 179.408 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.4 -118.94 0.56 Allowed Glycine 0 CA--C 1.531 1.08 0 C-N-CA 128.437 2.922 . . . . 0.0 105.906 173.702 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -167.26 -58.75 0.03 OUTLIER 'General case' 0 C--O 1.222 -0.369 0 C-N-CA 129.518 3.127 . . . . 0.0 102.563 174.831 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -42.45 99.25 Favored 'General case' 0 N--CA 1.422 -1.853 0 C-N-CA 125.995 1.718 . . . . 0.0 106.584 173.229 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -56.36 -65.26 0.64 Allowed 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 125.784 1.634 . . . . 0.0 108.447 177.786 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.496 HD21 ' HB2' ' A' ' 32' ' ' GLN . 20.1 mt -48.84 -48.24 41.93 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.338 1.455 . . . . 0.0 110.982 178.463 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -61.94 -48.96 78.08 Favored 'General case' 0 C--O 1.225 -0.207 0 C-N-CA 124.857 1.263 . . . . 0.0 111.293 -179.649 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.9 ttpp -60.5 -42.5 96.48 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 179.369 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 25.3 mttp -61.71 -52.18 65.35 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 123.264 0.626 . . . . 0.0 109.957 -179.665 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 70.5 mtm -65.52 -37.73 87.62 Favored 'General case' 0 C--O 1.219 -0.552 0 CA-C-O 118.091 -0.957 . . . . 0.0 111.197 179.328 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -60.27 -44.21 95.52 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 106.885 -1.524 . . . . 0.0 106.885 177.637 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -53.24 -56.43 19.37 Favored Glycine 0 CA--C 1.528 0.873 0 N-CA-C 109.586 -1.406 . . . . 0.0 109.586 176.838 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -62.56 -43.14 99.54 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 118.478 1.139 . . . . 0.0 111.252 179.538 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.78 -46.35 59.56 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 125.535 1.534 . . . . 0.0 109.029 -179.824 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -88.82 7.08 35.97 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.879 1.272 . . . . 0.0 112.665 -179.442 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 56.96 39.24 88.79 Favored Glycine 0 CA--C 1.531 1.043 0 CA-C-N 119.258 0.935 . . . . 0.0 112.04 -179.835 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.4 t -131.33 42.15 3.24 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.258 1.423 . . . . 0.0 110.838 -178.487 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 34.0 t80 . . . . . 0 C--O 1.231 0.13 0 N-CA-C 106.952 -1.499 . . . . 0.0 106.952 177.258 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.9 pttm . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.71 -56.3 21.18 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 123.192 0.597 . . . . 0.0 110.542 -179.122 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 26.2 mmt -57.59 -47.9 80.85 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 179.121 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.1 mmm -54.27 -52.18 62.22 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.557 179.67 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 70.0 m -56.08 -50.97 69.52 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 179.557 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -56.45 -39.71 73.61 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 118.164 0.438 . . . . 0.0 110.149 178.89 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.83 -44.82 88.59 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 123.255 0.622 . . . . 0.0 112.595 -179.162 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.5 m -89.75 -31.94 5.46 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 CA-C-N 119.551 1.069 . . . . 0.0 113.516 -176.505 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 36.8 tttp -54.86 -26.85 38.21 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 118.983 0.81 . . . . 0.0 113.109 -175.39 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 47.6 pttt -68.21 -16.02 63.81 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 117.966 0.348 . . . . 0.0 111.703 178.567 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -93.11 -166.38 1.52 Allowed 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 125.289 1.436 . . . . 0.0 109.089 178.609 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 56.7 m -148.56 153.77 38.84 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 126.508 1.923 . . . . 0.0 108.909 179.572 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -29.47 -53.37 0.13 Allowed 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 126.966 2.106 . . . . 0.0 115.318 -176.871 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -62.58 -46.41 88.45 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 121.639 0.733 . . . . 0.0 110.37 -178.734 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -60.52 -44.7 95.75 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 107.629 -1.248 . . . . 0.0 107.629 178.248 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 80.7 mt -56.63 -43.87 80.68 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 118.08 0.4 . . . . 0.0 110.033 178.299 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -60.66 -44.44 96.44 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 122.199 -0.313 . . . . 0.0 110.26 179.124 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.15 -46.4 81.06 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 122.139 0.971 . . . . 0.0 109.575 -179.28 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.663 HD13 ' CB ' ' A' ' 6' ' ' LEU . 30.7 tp -59.5 -47.59 84.93 Favored 'General case' 0 N--CA 1.435 -1.216 0 C-N-CA 124.651 1.18 . . . . 0.0 110.737 -179.084 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.04 -48.04 75.27 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.81 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -51.7 -42.63 62.35 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 176.87 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -62.19 -55.74 25.55 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 177.465 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 47.8 mtm -48.55 -37.08 16.86 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 118.428 0.558 . . . . 0.0 111.597 178.235 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.5 t -55.68 -31.3 62.3 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.331 -0.856 . . . . 0.0 111.862 178.44 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 41.0 mmtm -91.85 10.78 27.25 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.033 0.933 . . . . 0.0 112.992 -178.682 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.405 HD22 ' HA ' ' A' ' 17' ' ' ASP . 78.5 mt . . . . . 0 C--O 1.253 1.261 0 CA-C-O 117.7 -1.143 . . . . 0.0 110.245 178.605 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 21.5 t0 . . . . . 0 CA--C 1.529 0.146 0 CA-C-O 120.9 0.381 . . . . 0.0 110.631 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.7 -36.51 79.23 Favored Glycine 0 N--CA 1.448 -0.511 0 CA-C-O 119.078 -0.846 . . . . 0.0 112.492 178.021 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.49 -23.69 62.98 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-N 118.806 1.303 . . . . 0.0 110.621 177.591 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.87 -29.23 17.64 Favored 'General case' 0 N--CA 1.443 -0.814 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 177.935 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 93.4 mt -73.12 -42.13 63.24 Favored 'General case' 0 N--CA 1.444 -0.73 0 C-N-CA 118.619 -1.232 . . . . 0.0 108.989 -179.383 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.633 ' HD1' HD22 ' A' ' 72' ' ' LEU . 1.8 t80 -64.75 -9.93 23.89 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 114.96 1.467 . . . . 0.0 114.96 -177.623 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -53.32 -33.66 54.34 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 119.167 0.894 . . . . 0.0 109.988 177.759 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.8 p -72.14 8.66 1.2 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.182 0.993 . . . . 0.0 113.073 178.382 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.9 m -130.79 -35.69 1.43 Allowed 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 125.086 1.354 . . . . 0.0 109.904 -173.441 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.0 mm -43.14 -37.22 0.87 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 C-N-CA 125.488 1.515 . . . . 0.0 110.906 177.142 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -47.82 -40.81 19.35 Favored Glycine 0 CA--C 1.535 1.304 0 CA-C-N 118.124 0.42 . . . . 0.0 112.157 178.097 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 34.2 m -99.68 -46.25 5.49 Favored 'General case' 0 C--N 1.339 0.137 0 C-N-CA 123.763 0.825 . . . . 0.0 110.522 178.935 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.433 ' HB3' ' HA2' ' A' ' 18' ' ' GLY . 92.4 m-70 -74.33 -11.22 60.2 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 114.827 1.417 . . . . 0.0 114.827 -175.639 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 72.95 118.67 0.07 OUTLIER Glycine 0 CA--C 1.533 1.187 0 N-CA-C 119.11 2.404 . . . . 0.0 119.11 174.308 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 54.52 -76.64 0.01 OUTLIER 'General case' 0 C--N 1.341 0.215 0 C-N-CA 128.541 2.737 . . . . 0.0 113.375 176.943 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -112.23 -29.33 7.6 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 126.834 2.054 . . . . 0.0 110.645 -179.265 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.433 ' HA2' ' HB3' ' A' ' 14' ' ' HIS . . . 134.35 32.41 0.34 Allowed Glycine 0 CA--C 1.537 1.417 0 C-N-CA 128.707 3.051 . . . . 0.0 111.57 178.982 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.7 m -87.61 -22.41 24.77 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 114.685 1.365 . . . . 0.0 114.685 -176.633 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.7 ttmm -78.42 143.23 36.95 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.864 0.84 . . . . 0.0 111.26 -178.012 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.66 80.65 1.53 Allowed 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 106.309 -1.737 . . . . 0.0 106.309 175.823 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -41.16 136.72 1.51 Allowed 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 116.264 1.95 . . . . 0.0 116.264 -176.037 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 42.3 tpp 17.79 -49.45 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.644 1 C-N-CA 134.72 5.208 . . . . 0.0 118.86 176.526 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.15 -30.8 44.94 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 120.725 -1.234 . . . . 0.0 110.222 177.852 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 60.8 m 117.34 55.19 0.0 OUTLIER 'General case' 0 CA--C 1.528 0.114 1 C-N-CA 132.655 4.382 . . . . 0.0 105.295 -178.218 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.86 156.1 11.96 Favored 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 115.602 1.705 . . . . 0.0 115.602 -176.524 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.6 mtmm -68.33 127.95 93.19 Favored Pre-proline 0 N--CA 1.446 -0.637 0 N-CA-C 100.793 -3.78 . . . . 0.0 100.793 170.924 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -52.45 117.78 3.99 Favored 'Trans proline' 0 N--CA 1.455 -0.742 0 CA-C-N 121.595 1.605 . . . . 0.0 109.243 -178.21 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.1 m -60.29 -23.39 27.67 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 -179.372 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.3 tttp -53.34 93.2 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.525 0 CA-C-O 123.288 1.518 . . . . 0.0 111.91 173.889 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 83.09 31.13 29.4 Favored Glycine 0 N--CA 1.442 -0.908 0 CA-C-N 112.306 -2.225 . . . . 0.0 111.799 177.445 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -65.44 -36.63 84.49 Favored 'General case' 0 N--CA 1.437 -1.124 0 N-CA-C 106.273 -1.751 . . . . 0.0 106.273 177.272 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 123.75 121.94 2.67 Favored Glycine 0 C--O 1.218 -0.852 0 C-N-CA 127.851 2.643 . . . . 0.0 109.708 176.24 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.25 -47.6 12.83 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 120.611 2.206 . . . . 0.0 112.46 -178.454 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -59.49 -44.72 93.01 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 179.375 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.89 -63.76 1.14 Allowed 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 126.209 1.804 . . . . 0.0 108.17 179.886 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 27.6 mt -48.32 -45.58 35.31 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 126.935 2.094 . . . . 0.0 110.503 179.873 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -70.54 -45.7 65.01 Favored 'General case' 0 N--CA 1.45 -0.455 0 O-C-N 122.092 -0.38 . . . . 0.0 111.517 -179.053 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -59.88 -41.1 90.84 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 179.25 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -64.93 -50.06 67.96 Favored 'General case' 0 N--CA 1.438 -1.062 0 C-N-CA 124.015 0.926 . . . . 0.0 109.899 179.939 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 55.6 mtm -62.57 -36.95 84.29 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-O 117.832 -1.08 . . . . 0.0 110.276 178.634 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.29 -48.31 80.89 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 106.818 -1.549 . . . . 0.0 106.818 176.576 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -51.52 -51.7 36.55 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 177.66 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -69.38 -35.48 75.86 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 118.313 1.057 . . . . 0.0 111.477 179.15 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.34 -53.45 57.14 Favored 'General case' 0 CA--C 1.522 -0.099 0 C-N-CA 124.923 1.289 . . . . 0.0 108.796 -178.854 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -76.26 -37.65 57.31 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 177.918 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.96 22.35 8.02 Favored Glycine 0 CA--C 1.532 1.098 0 C-N-CA 125.503 1.525 . . . . 0.0 112.994 178.746 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.3 t -102.97 38.97 1.63 Allowed 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.615 1.166 . . . . 0.0 110.381 -179.885 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 39.1 t80 . . . . . 0 N--CA 1.455 -0.215 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 179.66 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 53.1 pttt . . . . . 0 C--O 1.226 -0.155 0 N-CA-C 113.451 0.908 . . . . 0.0 113.451 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.59 -51.29 63.5 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 122.091 0.156 . . . . 0.0 110.783 -178.368 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 93.9 mmm -57.61 -46.74 83.7 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 179.019 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 39.9 mmm -56.82 -63.09 1.32 Allowed 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.144 179.676 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 99.1 m -47.33 -48.14 25.5 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 124.723 1.209 . . . . 0.0 110.166 178.222 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.74 -42.12 92.47 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 118.339 0.518 . . . . 0.0 110.769 179.967 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.11 -30.55 60.9 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.35 0.523 . . . . 0.0 112.234 -178.648 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 79.6 t -86.07 -51.6 13.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 125.413 1.485 . . . . 0.0 114.079 -176.241 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -48.77 -30.61 5.85 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.86 1.264 . . . . 0.0 113.314 -176.884 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 25.2 pttm -69.26 -21.46 63.9 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 118.846 0.748 . . . . 0.0 112.673 -179.925 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -86.03 167.67 14.81 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-O 123.852 1.787 . . . . 0.0 111.385 -179.091 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 92.4 p -97.3 166.31 11.61 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 128.632 2.773 . . . . 0.0 109.366 178.643 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -57.95 -37.82 74.83 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 177.46 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.24 -54.16 28.32 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.514 1.126 . . . . 0.0 109.201 179.476 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.53 -48.17 72.27 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 178.633 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 83.1 mt -60.48 -42.51 96.41 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 179.11 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 16.6 ttmm -59.88 -48.59 81.09 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 121.678 -0.639 . . . . 0.0 109.402 179.038 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.51 -42.9 97.33 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 -179.728 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.633 HD22 ' HD1' ' A' ' 7' ' ' TYR . 12.4 mt -61.33 -47.98 83.44 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-O 119.203 -0.427 . . . . 0.0 111.181 179.188 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.34 -43.74 96.87 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 -179.292 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -54.34 -50.74 66.73 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 178.044 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -57.59 -59.45 5.16 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 122.941 0.496 . . . . 0.0 109.729 178.586 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.418 ' HA ' HD13 ' A' ' 79' ' ' LEU . 54.6 mtm -49.18 -44.42 43.0 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.665 0.666 . . . . 0.0 112.361 179.05 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.5 t -64.58 -7.12 9.2 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 117.848 -1.072 . . . . 0.0 112.982 -179.051 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -110.83 9.17 22.53 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.841 1.256 . . . . 0.0 111.638 178.963 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.418 HD13 ' HA ' ' A' ' 76' ' ' MET . 0.5 OUTLIER . . . . . 0 C--O 1.253 1.256 0 CA-C-O 117.509 -1.234 . . . . 0.0 109.292 176.498 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.5 t70 . . . . . 0 CA--C 1.53 0.205 0 CA-C-O 120.503 0.192 . . . . 0.0 110.686 . . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.59 -60.81 7.25 Favored Glycine 0 N--CA 1.447 -0.611 0 N-CA-C 109.711 -1.356 . . . . 0.0 109.711 179.558 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -48.05 -44.83 31.56 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 117.25 0.525 . . . . 0.0 110.962 -179.604 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.02 -44.59 78.89 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-O 119.494 -0.289 . . . . 0.0 111.69 -179.616 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 51.9 mt -69.86 -47.28 63.23 Favored 'General case' 0 N--CA 1.439 -1.007 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 179.197 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -53.42 -23.93 11.18 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.375 1.07 . . . . 0.0 113.883 -178.078 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -52.46 -35.47 52.58 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.387 -0.82 . . . . 0.0 110.416 176.719 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 m -69.09 -5.25 20.93 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.36 1.064 . . . . 0.0 113.37 -179.486 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.7 m -112.7 -37.93 4.74 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 127.312 2.245 . . . . 0.0 111.157 -175.203 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.1 mp -45.86 -29.34 0.89 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 125.726 1.611 . . . . 0.0 112.387 -179.903 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -55.31 -45.6 82.62 Favored Glycine 0 CA--C 1.536 1.359 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 177.223 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.3 m -89.47 -41.57 11.98 Favored 'General case' 0 C--N 1.339 0.12 0 O-C-N 122.157 -0.614 . . . . 0.0 110.034 179.187 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 84.7 m-70 -73.89 -9.83 59.04 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 113.539 0.94 . . . . 0.0 113.539 -177.297 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.95 90.37 0.02 OUTLIER Glycine 0 CA--C 1.524 0.606 0 N-CA-C 116.68 1.432 . . . . 0.0 116.68 175.03 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 66.12 -47.54 0.42 Allowed 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 127.069 2.148 . . . . 0.0 114.7 175.96 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 43.6 p-10 -134.81 -74.84 0.46 Allowed 'General case' 0 N--CA 1.436 -1.128 0 C-N-CA 126.474 1.91 . . . . 0.0 109.211 -179.742 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 176.84 26.54 0.03 OUTLIER Glycine 0 CA--C 1.524 0.642 0 C-N-CA 126.015 1.769 . . . . 0.0 109.761 179.917 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.7 p -79.42 -51.86 8.82 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 125.537 1.535 . . . . 0.0 108.297 -179.994 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -56.16 119.95 6.75 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.032 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.15 84.35 0.53 Allowed 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 106.771 -1.566 . . . . 0.0 106.771 178.54 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -35.63 126.91 0.66 Allowed 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 125.593 1.557 . . . . 0.0 114.099 -175.441 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 85.6 mmm 16.74 -74.95 0.0 OUTLIER 'General case' 0 C--N 1.344 0.348 0 C-N-CA 130.883 3.673 . . . . 0.0 113.246 179.727 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.4 46.21 1.89 Allowed Glycine 0 CA--C 1.534 1.258 0 N-CA-C 111.542 -0.623 . . . . 0.0 111.542 176.978 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.1 m 45.78 52.42 9.63 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 126.826 2.05 . . . . 0.0 112.578 178.611 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.97 135.14 56.17 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 118.736 -1.186 . . . . 0.0 112.596 179.887 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 31.9 mmtt -67.08 117.2 43.69 Favored Pre-proline 0 CA--C 1.535 0.403 0 N-CA-C 102.566 -3.124 . . . . 0.0 102.566 176.736 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 0.8 OUTLIER -20.6 103.62 0.01 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.643 1 C-N-CA 125.993 4.462 . . . . 0.0 115.616 -174.873 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 37.7 t -57.24 -35.22 47.9 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 N-CA-C 106.675 -1.602 . . . . 0.0 106.675 177.699 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -65.5 92.82 0.14 Allowed 'General case' 0 CA--C 1.514 -0.406 0 CA-C-O 122.38 1.086 . . . . 0.0 108.291 174.723 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 131.55 -14.31 5.31 Favored Glycine 0 CA--C 1.523 0.565 0 CA-C-N 112.716 -2.038 . . . . 0.0 112.507 179.274 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -66.9 147.41 53.27 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 119.15 1.475 . . . . 0.0 107.483 178.909 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -88.41 146.3 19.44 Favored Glycine 0 CA--C 1.53 1.01 0 CA-C-O 118.951 -0.916 . . . . 0.0 113.982 -175.84 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.62 -49.29 14.39 Favored 'General case' 0 C--N 1.343 0.318 0 CA-C-N 119.309 1.555 . . . . 0.0 112.644 -178.493 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -59.06 -42.98 91.63 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 -179.649 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -60.13 -63.93 1.13 Allowed 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 124.992 1.317 . . . . 0.0 107.755 179.254 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 37.7 mt -46.75 -46.06 20.16 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 126.752 2.021 . . . . 0.0 110.705 -179.273 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -71.0 -47.29 59.64 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 123.287 0.635 . . . . 0.0 111.556 -179.342 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.53 -41.16 89.38 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 179.594 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp -65.15 -51.18 62.72 Favored 'General case' 0 N--CA 1.437 -1.099 0 C-N-CA 124.654 1.181 . . . . 0.0 109.963 -179.457 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 58.2 mtm -62.67 -38.44 90.35 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-O 117.622 -1.18 . . . . 0.0 109.798 178.632 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -59.46 -45.09 92.62 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 120.74 1.609 . . . . 0.0 106.803 176.25 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -50.26 -49.69 36.98 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 124.363 0.983 . . . . 0.0 110.9 177.07 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -71.26 -54.6 10.34 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.247 -1.149 . . . . 0.0 109.842 179.009 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -40.93 -53.85 2.85 Favored 'General case' 0 CA--C 1.527 0.083 0 C-N-CA 128.101 2.56 . . . . 0.0 111.533 -178.795 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -160.44 53.2 0.32 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.02 0.928 . . . . 0.0 110.197 -177.028 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -155.15 20.66 0.56 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 120.556 -1.34 . . . . 0.0 112.339 178.399 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.1 t 39.06 42.28 0.67 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 128.337 2.655 . . . . 0.0 112.931 179.069 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 31.0 t80 . . . . . 0 CA--C 1.535 0.399 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 176.888 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 25.0 pttm . . . . . 0 N--CA 1.437 -1.105 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 . . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.7 -51.69 63.92 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 122.51 0.324 . . . . 0.0 110.588 -178.254 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 42.0 tpp -59.28 -46.59 88.11 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 178.932 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 44.0 mmm -55.16 -59.97 4.03 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.929 -179.738 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 35.1 m -52.98 -43.67 66.6 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 123.656 0.782 . . . . 0.0 110.276 178.195 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.95 -43.7 98.32 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 119.488 1.04 . . . . 0.0 110.634 179.506 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.7 -42.54 73.94 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-O 121.48 0.657 . . . . 0.0 111.706 -178.572 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 76.6 t -74.4 -44.07 48.64 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 C-N-CA 126.16 1.784 . . . . 0.0 113.259 -176.72 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.3 tptm -53.78 -32.95 54.32 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.199 1.0 . . . . 0.0 113.033 -177.132 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.4 pttp -74.64 -8.5 56.57 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 118.84 0.745 . . . . 0.0 112.286 -179.946 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -97.39 -179.41 4.48 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-O 122.622 1.201 . . . . 0.0 108.668 178.506 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 35.2 t -136.06 170.65 15.67 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 126.96 2.104 . . . . 0.0 109.112 179.161 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -41.98 -49.84 4.61 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 125.705 1.602 . . . . 0.0 112.828 -177.413 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -61.87 -48.71 79.29 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.167 0.587 . . . . 0.0 110.63 -178.639 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -61.39 -47.01 87.78 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.444 0.698 . . . . 0.0 109.419 179.882 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 88.2 mt -60.52 -45.04 95.28 Favored 'General case' 0 CA--C 1.528 0.124 0 N-CA-C 109.616 -0.512 . . . . 0.0 109.616 179.267 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -61.0 -42.9 99.33 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 178.889 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.99 -48.15 77.53 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 -179.824 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 72' ' ' LEU . 15.4 mt -58.53 -51.96 67.67 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-O 119.147 -0.454 . . . . 0.0 110.864 179.423 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.44 -41.17 98.53 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-O 118.818 -0.611 . . . . 0.0 110.083 -178.478 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -54.4 -49.54 69.66 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 177.413 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -60.55 -59.31 5.61 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 178.553 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 71.5 mtm -50.83 -29.63 12.24 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 177.825 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.2 t -72.07 -23.28 61.33 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 120.743 -1.223 . . . . 0.0 112.34 -179.803 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -110.54 27.34 9.74 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 118.83 0.741 . . . . 0.0 109.283 177.984 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 21.4 tp . . . . . 0 C--O 1.25 1.094 0 C-N-CA 127.092 2.157 . . . . 0.0 111.273 -179.735 . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 . . . . . 0 CA--C 1.512 -0.497 0 CA-C-O 118.491 -0.766 . . . . 0.0 110.513 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -36.54 -48.22 1.23 Allowed Glycine 0 C--N 1.339 0.721 0 C-N-CA 126.204 1.859 . . . . 0.0 112.78 -179.09 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -49.34 -28.87 5.38 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 179.848 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -85.71 -29.81 23.63 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 119.126 0.875 . . . . 0.0 109.752 -178.415 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.449 ' N ' HD12 ' A' ' 6' ' ' LEU . 5.4 mp -74.61 -39.41 62.17 Favored 'General case' 0 N--CA 1.439 -1.012 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 -179.745 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.484 ' N ' HD21 ' A' ' 72' ' ' LEU . 2.5 t80 -69.15 -14.13 62.82 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 115.738 1.755 . . . . 0.0 115.738 -178.246 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -50.48 -46.15 56.74 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 119.393 0.997 . . . . 0.0 112.91 -177.881 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.31 -23.58 67.35 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.46 0.704 . . . . 0.0 112.757 179.827 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.9 m -85.63 -35.99 20.61 Favored 'General case' 0 CA--C 1.515 -0.369 0 C-N-CA 125.799 1.64 . . . . 0.0 109.838 -177.249 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -48.64 -31.63 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 C-N-CA 124.774 1.23 . . . . 0.0 110.54 179.357 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -58.64 -43.6 96.12 Favored Glycine 0 CA--C 1.535 1.335 0 CA-C-N 118.473 0.579 . . . . 0.0 112.073 177.895 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.3 m -90.38 -39.1 12.88 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 117.939 0.869 . . . . 0.0 111.702 -178.568 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -91.0 -23.54 20.36 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 115.145 1.535 . . . . 0.0 115.145 -176.481 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 86.44 156.24 28.06 Favored Glycine 0 CA--C 1.527 0.796 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.208 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.06 -43.81 63.99 Favored 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 123.642 0.777 . . . . 0.0 110.269 179.656 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 51.8 p30 -87.89 12.62 12.69 Favored 'General case' 0 N--CA 1.437 -1.105 0 C-N-CA 126.631 1.972 . . . . 0.0 113.209 -179.996 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.512 ' HA3' HD21 ' A' ' 79' ' ' LEU . . . 48.24 19.97 1.3 Allowed Glycine 0 CA--C 1.527 0.806 0 C-N-CA 125.49 1.519 . . . . 0.0 115.443 -179.727 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.3 m -95.52 -10.14 30.51 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 117.941 0.871 . . . . 0.0 112.733 -176.309 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -72.36 115.45 11.63 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 178.73 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.78 85.06 0.66 Allowed 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 105.714 -1.958 . . . . 0.0 105.714 177.344 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.26 146.18 3.92 Favored 'General case' 0 N--CA 1.443 -0.775 0 C-N-CA 125.995 1.718 . . . . 0.0 115.413 -176.22 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 46.3 tpp 28.78 -86.7 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 130.409 3.483 . . . . 0.0 114.517 178.166 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.86 -28.67 63.61 Favored Glycine 0 CA--C 1.526 0.729 0 C-N-CA 123.528 0.585 . . . . 0.0 113.608 -178.668 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 42.3 m 114.5 65.28 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.205 1 C-N-CA 131.918 4.087 . . . . 0.0 104.799 -177.823 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.01 146.43 22.55 Favored 'General case' 0 N--CA 1.438 -1.071 0 N-CA-C 116.675 2.102 . . . . 0.0 116.675 -177.731 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.1 mtmm -64.79 115.27 19.18 Favored Pre-proline 0 CA--C 1.537 0.449 0 N-CA-C 102.711 -3.07 . . . . 0.0 102.711 171.69 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -34.74 113.49 0.08 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.506 0 C-N-CA 123.93 3.087 . . . . 0.0 112.538 -177.682 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 33.5 m -64.73 -29.8 48.43 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 -179.609 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 42.2 tptt -54.1 108.49 0.37 Allowed 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 124.235 1.014 . . . . 0.0 110.496 172.777 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 107.65 -13.25 38.92 Favored Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 114.192 -1.367 . . . . 0.0 111.332 177.623 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.416 ' HB2' HD21 ' A' ' 37' ' ' LEU . 76.5 mt-30 -64.95 142.83 58.3 Favored 'General case' 0 N--CA 1.438 -1.025 0 N-CA-C 106.068 -1.827 . . . . 0.0 106.068 177.7 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -83.97 146.17 22.93 Favored Glycine 0 CA--C 1.526 0.774 0 CA-C-O 118.601 -1.111 . . . . 0.0 112.998 -175.694 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.07 -50.83 10.73 Favored 'General case' 0 CA--C 1.517 -0.311 0 C-N-CA 125.862 1.665 . . . . 0.0 112.222 -178.519 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -55.75 -48.5 75.16 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 -179.939 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -59.39 -61.81 2.35 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 124.166 0.986 . . . . 0.0 108.548 179.706 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.416 HD21 ' HB2' ' A' ' 32' ' ' GLN . 14.2 mt -49.08 -41.77 36.6 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 125.71 1.604 . . . . 0.0 112.064 179.866 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -77.12 -40.51 45.52 Favored 'General case' 0 N--CA 1.445 -0.693 0 O-C-N 121.949 -0.47 . . . . 0.0 110.925 -176.852 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -61.49 -43.33 99.06 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 107.376 -1.342 . . . . 0.0 107.376 178.41 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -64.66 -54.39 32.56 Favored 'General case' 0 N--CA 1.436 -1.152 0 C-N-CA 124.179 0.991 . . . . 0.0 110.366 -179.699 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 52.5 mtm -61.75 -37.13 83.11 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-O 118.066 -0.969 . . . . 0.0 110.685 179.704 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -62.97 -44.68 95.38 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 120.207 1.367 . . . . 0.0 107.341 177.318 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -53.01 -45.39 62.14 Favored Glycine 0 CA--C 1.531 1.091 0 N-CA-C 110.236 -1.145 . . . . 0.0 110.236 176.819 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -69.48 -46.36 66.82 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 117.924 0.862 . . . . 0.0 110.127 178.175 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -48.34 -51.79 24.58 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 126.608 1.963 . . . . 0.0 109.853 -178.648 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -88.13 10.25 19.96 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.219 1.008 . . . . 0.0 112.583 -178.689 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 52.92 34.52 45.9 Favored Glycine 0 CA--C 1.532 1.115 0 CA-C-N 119.027 0.83 . . . . 0.0 113.001 -179.899 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.2 t -99.64 -25.05 14.53 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.869 1.268 . . . . 0.0 110.175 -179.841 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 6.5 t80 . . . . . 0 C--N 1.34 0.16 0 N-CA-C 106.943 -1.503 . . . . 0.0 106.943 178.719 . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.416 ' HA ' ' HB2' ' A' ' 57' ' ' MET . 71.8 mttt . . . . . 0 N--CA 1.43 -1.459 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 . . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.8 -46.49 62.73 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 107.096 -1.446 . . . . 0.0 107.096 176.919 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 64.8 mtt -59.62 -42.54 92.91 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 178.025 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.416 ' HB2' ' HA ' ' A' ' 54' ' ' LYS . 51.1 mmm -56.14 -61.46 2.37 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 177.619 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 86.1 m -46.01 -50.59 14.8 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.895 0.878 . . . . 0.0 109.871 177.946 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 15.8 t30 -56.71 -34.17 67.21 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 122.975 0.51 . . . . 0.0 111.847 179.497 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.31 -63.57 1.39 Allowed 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 119.205 0.911 . . . . 0.0 108.866 178.151 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 71.4 t -42.81 -42.88 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 127.95 2.5 . . . . 0.0 112.98 -177.71 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -53.34 -25.1 13.84 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 113.451 0.908 . . . . 0.0 113.451 -178.562 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.58 -10.38 59.47 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 119.815 1.189 . . . . 0.0 112.683 -179.719 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -107.58 142.38 37.59 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-O 122.413 1.101 . . . . 0.0 108.577 -178.607 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 86.7 p -77.91 171.19 15.36 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 126.792 2.037 . . . . 0.0 109.616 178.919 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.7 p-10 -57.58 -39.53 76.98 Favored 'General case' 0 CA--C 1.534 0.363 0 O-C-N 121.838 -0.539 . . . . 0.0 109.944 177.429 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.2 tm-20 -66.77 -51.36 56.72 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.226 1.01 . . . . 0.0 109.401 179.593 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -58.69 -45.95 88.34 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 122.066 -0.396 . . . . 0.0 110.273 179.716 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 55.6 mt -59.16 -42.69 91.35 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 178.175 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -61.86 -40.22 94.62 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.851 -0.53 . . . . 0.0 109.586 178.21 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.95 -46.43 84.71 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 179.487 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.484 HD21 ' N ' ' A' ' 7' ' ' TYR . 13.1 mt -56.56 -51.51 68.3 Favored 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 178.113 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.44 -40.34 90.74 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 118.876 -0.583 . . . . 0.0 109.964 -179.21 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -56.43 -48.42 77.04 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 177.726 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -59.78 -59.6 5.18 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 178.285 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.41 ' O ' ' HB2' ' A' ' 79' ' ' LEU . 70.8 mtm -52.16 -32.71 37.14 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 178.232 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.5 t -70.71 -12.16 61.38 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 120.348 -1.47 . . . . 0.0 111.516 179.727 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -114.74 24.94 11.37 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.99 1.716 . . . . 0.0 108.088 177.61 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.512 HD21 ' HA3' ' A' ' 18' ' ' GLY . 13.7 tp . . . . . 0 C--O 1.253 1.251 0 C-N-CA 125.314 1.446 . . . . 0.0 109.821 -179.36 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -45.43 -52.89 8.5 Favored Glycine 0 CA--C 1.528 0.851 0 C-N-CA 123.949 0.785 . . . . 0.0 112.039 -179.652 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.25 -31.43 43.4 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.578 0.751 . . . . 0.0 112.77 179.382 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.95 -22.97 33.63 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 119.152 -0.452 . . . . 0.0 110.347 -178.745 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.438 ' CB ' HD13 ' A' ' 72' ' ' LEU . 10.9 mt -85.43 -27.51 25.7 Favored 'General case' 0 N--CA 1.437 -1.101 0 N-CA-C 105.61 -1.996 . . . . 0.0 105.61 -179.777 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.446 ' CE1' ' SD ' ' A' ' 76' ' ' MET . 0.6 OUTLIER -74.11 -12.9 60.73 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 178.067 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.4 tptt -50.62 -43.5 56.93 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.689 0.796 . . . . 0.0 112.983 -177.973 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 p -69.03 -19.86 64.12 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.672 1.189 . . . . 0.0 112.909 -179.899 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.5 m -90.59 -38.74 12.95 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 126.861 2.064 . . . . 0.0 109.728 -176.398 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -46.54 -30.91 1.37 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 C-N-CA 125.955 1.702 . . . . 0.0 110.747 178.676 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -56.2 -47.94 78.06 Favored Glycine 0 CA--C 1.535 1.339 0 O-C-N 121.533 -0.73 . . . . 0.0 111.763 177.698 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.6 m -86.15 -42.7 13.64 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 117.902 0.851 . . . . 0.0 110.533 -179.518 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 56.5 m-70 -80.21 -11.69 59.71 Favored 'General case' 0 N--CA 1.431 -1.411 0 N-CA-C 115.437 1.643 . . . . 0.0 115.437 -175.762 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 84.35 154.42 20.05 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 110.306 -1.117 . . . . 0.0 110.306 -179.225 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -32.89 -57.8 0.37 Allowed 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 126.897 2.079 . . . . 0.0 113.512 -178.433 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -109.72 38.51 2.35 Favored 'General case' 0 N--CA 1.436 -1.17 0 C-N-CA 126.172 1.789 . . . . 0.0 111.844 -179.215 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 52.8 29.7 34.38 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 124.26 0.933 . . . . 0.0 114.558 178.143 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.0 p -90.14 -30.73 17.45 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 126.688 1.995 . . . . 0.0 113.246 -177.361 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -72.9 125.53 27.8 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 -178.246 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.36 84.12 0.79 Allowed 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 107.079 -1.452 . . . . 0.0 107.079 178.398 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -38.9 126.21 1.54 Allowed 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 125.636 1.574 . . . . 0.0 114.986 -176.098 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 88.4 mmm 23.68 -76.74 0.0 OUTLIER 'General case' 0 C--N 1.342 0.249 1 C-N-CA 131.822 4.049 . . . . 0.0 115.099 178.336 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -51.27 -40.39 45.15 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 110.627 -0.989 . . . . 0.0 110.627 178.929 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 43.8 t 126.25 55.75 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 130.962 3.705 . . . . 0.0 107.115 179.612 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.06 133.53 48.76 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 113.596 0.961 . . . . 0.0 113.596 -178.908 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -61.57 114.32 10.72 Favored Pre-proline 0 CA--C 1.54 0.589 0 N-CA-C 101.904 -3.369 . . . . 0.0 101.904 172.589 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo -29.82 114.84 0.05 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 124.568 3.512 . . . . 0.0 113.504 -174.801 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.0 m -63.06 -19.81 24.44 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 179.301 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.493 ' HA ' HD23 ' A' ' 79' ' ' LEU . 47.9 tttp -59.85 98.6 0.05 Allowed 'General case' 0 CA--C 1.513 -0.443 0 CA-C-O 122.303 1.049 . . . . 0.0 110.3 175.567 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 112.11 -7.41 27.12 Favored Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 113.037 -1.892 . . . . 0.0 112.027 177.874 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -63.36 145.45 55.56 Favored 'General case' 0 N--CA 1.442 -0.86 0 N-CA-C 105.318 -2.105 . . . . 0.0 105.318 176.582 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.1 145.38 33.4 Favored Glycine 0 CA--C 1.527 0.818 0 O-C-N 120.826 -1.172 . . . . 0.0 113.603 -175.114 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.32 -49.08 24.88 Favored 'General case' 0 C--N 1.34 0.158 0 CA-C-N 120.004 1.902 . . . . 0.0 111.204 179.297 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -56.73 -48.17 78.35 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 109.011 -0.736 . . . . 0.0 109.011 179.178 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -55.84 -65.87 0.52 Allowed 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 178.76 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.9 mt -48.23 -41.51 27.7 Favored 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 125.416 1.486 . . . . 0.0 111.82 -179.294 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -72.88 -40.13 65.86 Favored 'General case' 0 N--CA 1.449 -0.524 0 O-C-N 121.533 -0.73 . . . . 0.0 110.863 -178.163 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.9 tttp -64.36 -42.76 96.04 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 179.024 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 24.9 mmtp -62.48 -52.93 61.54 Favored 'General case' 0 N--CA 1.439 -1.002 0 C-N-CA 124.676 1.19 . . . . 0.0 109.511 -179.442 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 69.1 mtm -64.81 -39.33 93.42 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 117.948 -1.025 . . . . 0.0 111.173 179.711 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.3 tttp -59.09 -44.1 91.88 Favored 'General case' 0 CA--C 1.528 0.107 0 N-CA-C 106.973 -1.492 . . . . 0.0 106.973 177.068 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.47 -45.16 93.32 Favored Glycine 0 CA--C 1.532 1.129 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 177.522 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -74.02 -30.43 62.44 Favored 'General case' 0 C--O 1.225 -0.202 0 O-C-N 121.386 -1.067 . . . . 0.0 112.143 179.705 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -46.69 -52.98 12.66 Favored 'General case' 0 N--CA 1.462 0.132 0 C-N-CA 125.375 1.47 . . . . 0.0 108.148 -179.773 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -86.19 -40.12 15.93 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 176.613 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.77 27.7 4.24 Favored Glycine 0 CA--C 1.528 0.876 0 C-N-CA 124.495 1.045 . . . . 0.0 113.598 178.052 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.5 p -80.78 -46.88 14.72 Favored 'General case' 0 N--CA 1.426 -1.656 0 C-N-CA 125.29 1.436 . . . . 0.0 109.082 179.172 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 36.5 t80 . . . . . 0 CA--C 1.53 0.195 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 178.83 . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.532 0.277 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 . . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.59 -53.22 59.2 Favored 'General case' 0 C--O 1.233 0.2 0 O-C-N 121.954 -0.466 . . . . 0.0 110.12 -179.288 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 26.2 mmt -58.58 -44.42 89.8 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 178.971 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 28.8 mmm -56.54 -56.4 21.78 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 122.808 0.443 . . . . 0.0 110.794 179.309 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 17.8 m -52.44 -50.52 62.43 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 178.236 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -56.64 -35.69 68.65 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 121.512 -0.075 . . . . 0.0 111.013 178.798 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.7 -43.89 62.45 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 123.607 0.763 . . . . 0.0 112.411 -179.087 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.5 m -93.27 -23.7 5.38 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 -174.342 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -50.49 -33.23 20.58 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 120.319 1.418 . . . . 0.0 113.45 -176.521 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 41.4 pttt -69.22 -11.95 61.25 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 112.74 0.644 . . . . 0.0 112.74 -179.866 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 17.4 m-30 -103.11 139.72 38.26 Favored 'General case' 0 N--CA 1.436 -1.157 0 C-N-CA 124.965 1.306 . . . . 0.0 108.423 -179.836 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 77.6 p -82.52 168.49 17.34 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 126.448 1.899 . . . . 0.0 109.638 179.371 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -52.8 -39.61 62.52 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.576 0.75 . . . . 0.0 111.837 179.213 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.2 tm-20 -66.2 -51.94 52.85 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.972 0.909 . . . . 0.0 109.377 179.594 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -57.16 -50.4 72.95 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 179.355 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 37.5 mt -55.55 -44.36 76.71 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 124.386 1.074 . . . . 0.0 110.066 178.682 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -60.9 -45.47 94.51 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.63 -0.508 . . . . 0.0 109.63 179.386 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.94 -43.52 98.56 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 179.813 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.438 HD13 ' CB ' ' A' ' 6' ' ' LEU . 13.8 tp -57.71 -51.77 68.19 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 124.003 0.921 . . . . 0.0 109.922 -179.7 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.16 -46.21 88.25 Favored 'General case' 0 C--N 1.34 0.18 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.542 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -51.72 -48.53 63.56 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 179.093 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 32.1 t80 -59.93 -61.82 2.33 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 177.906 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.446 ' HA ' HD22 ' A' ' 79' ' ' LEU . 66.7 mtm -48.6 -30.55 5.48 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 114.065 1.135 . . . . 0.0 114.065 179.41 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.7 t -60.69 -32.33 71.56 Favored 'General case' 0 CA--C 1.534 0.338 0 O-C-N 121.481 -0.762 . . . . 0.0 110.302 179.615 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.5 tptp -89.67 -46.14 8.84 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 106.968 -1.493 . . . . 0.0 106.968 175.621 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.493 HD23 ' HA ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.254 1.305 0 C-N-CA 128.32 2.648 . . . . 0.0 109.587 -178.725 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 33.6 t0 . . . . . 0 N--CA 1.456 -0.164 0 N-CA-C 107.61 -1.255 . . . . 0.0 107.61 . . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 76.95 80.47 0.63 Allowed Glycine 0 N--CA 1.429 -1.832 1 N-CA-C 100.047 -5.221 . . . . 0.0 100.047 -171.008 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 123.1 -45.62 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 131.44 3.896 . . . . 0.0 106.893 -174.187 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.5 -36.93 71.27 Favored 'General case' 0 C--N 1.346 0.43 0 C-N-CA 118.304 -1.358 . . . . 0.0 111.54 -177.619 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.459 ' CB ' HD21 ' A' ' 72' ' ' LEU . 14.8 mt -75.3 -37.32 60.89 Favored 'General case' 0 N--CA 1.443 -0.785 0 C-N-CA 117.275 -1.77 . . . . 0.0 109.747 -178.864 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.457 ' HD1' HD22 ' A' ' 72' ' ' LEU . 1.3 t80 -59.02 -17.84 29.01 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 -177.058 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -51.63 -38.06 53.0 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 118.855 0.752 . . . . 0.0 111.112 176.506 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 55.5 p -68.79 -14.85 63.28 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -179.651 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.7 m -100.12 -37.18 9.06 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 126.894 2.077 . . . . 0.0 110.23 -174.903 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.1 mp -47.55 -29.68 1.78 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 C-N-CA 125.456 1.502 . . . . 0.0 109.647 176.745 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -54.0 -46.05 70.23 Favored Glycine 0 CA--C 1.536 1.375 0 O-C-N 121.663 -0.648 . . . . 0.0 112.06 177.088 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.4 m -91.73 -45.06 8.64 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 118.335 1.067 . . . . 0.0 110.356 179.832 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -77.21 -15.14 59.62 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 -175.832 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.2 156.76 26.88 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 110.175 -1.17 . . . . 0.0 110.175 -178.652 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -36.02 -58.83 0.64 Allowed 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 126.218 1.807 . . . . 0.0 112.996 -178.833 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.1 p-10 -98.67 33.46 2.28 Favored 'General case' 0 N--CA 1.44 -0.938 0 C-N-CA 126.228 1.811 . . . . 0.0 112.272 -178.767 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 42.6 40.77 3.96 Favored Glycine 0 CA--C 1.533 1.165 0 C-N-CA 125.086 1.327 . . . . 0.0 114.121 178.839 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.8 p -94.83 -34.67 12.38 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 126.981 2.113 . . . . 0.0 113.642 -176.633 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -66.78 134.57 52.42 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-O 121.261 0.553 . . . . 0.0 110.324 -177.407 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.79 77.09 2.73 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 105.679 -1.971 . . . . 0.0 105.679 176.346 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -35.48 122.92 0.64 Allowed 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 126.199 1.8 . . . . 0.0 114.677 -175.945 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.4 mmt 21.62 -68.74 0.0 OUTLIER 'General case' 0 C--N 1.344 0.334 1 C-N-CA 132.469 4.307 . . . . 0.0 115.563 177.906 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.22 -25.35 39.67 Favored Glycine 0 CA--C 1.529 0.958 0 C-N-CA 123.554 0.597 . . . . 0.0 111.818 178.235 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.3 m 106.74 56.38 0.0 OUTLIER 'General case' 0 C--N 1.334 -0.067 0 C-N-CA 131.288 3.835 . . . . 0.0 106.358 -179.402 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.02 144.77 48.52 Favored 'General case' 0 N--CA 1.443 -0.792 0 N-CA-C 116.474 2.027 . . . . 0.0 116.474 -177.306 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.8 pttm -70.79 114.46 27.01 Favored Pre-proline 0 CA--C 1.543 0.688 0 N-CA-C 101.438 -3.542 . . . . 0.0 101.438 171.104 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -31.7 117.57 0.07 OUTLIER 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 124.579 3.519 . . . . 0.0 113.75 -175.626 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 17.3 m -67.35 -22.01 28.44 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 C-N-CA 119.375 -0.93 . . . . 0.0 108.913 -179.49 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.708 ' HA ' HD23 ' A' ' 79' ' ' LEU . 23.7 ttpp -60.03 106.75 0.54 Allowed 'General case' 0 CA--C 1.515 -0.401 0 CA-C-O 122.115 0.959 . . . . 0.0 110.479 176.305 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 105.85 -4.76 39.37 Favored Glycine 0 N--CA 1.448 -0.538 0 CA-C-N 113.289 -1.778 . . . . 0.0 111.731 177.787 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -64.34 146.21 54.78 Favored 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 105.877 -1.897 . . . . 0.0 105.877 177.202 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -76.41 142.94 28.8 Favored Glycine 0 CA--C 1.528 0.846 0 O-C-N 120.865 -1.147 . . . . 0.0 113.695 -175.25 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -46.1 -47.6 17.27 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 119.688 1.744 . . . . 0.0 111.852 179.638 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.3 tm-20 -60.0 -45.09 93.9 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 179.527 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 57.3 tt0 -58.92 -62.85 1.57 Allowed 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.74 1.216 . . . . 0.0 107.98 179.419 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 50.8 mt -45.58 -49.53 13.96 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 126.959 2.103 . . . . 0.0 109.744 179.625 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -65.1 -53.45 45.15 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 123.098 0.559 . . . . 0.0 112.395 -179.925 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.7 tttp -57.38 -41.19 79.71 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 121.533 0.682 . . . . 0.0 109.759 -178.082 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp -68.88 -51.36 41.03 Favored 'General case' 0 N--CA 1.435 -1.204 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.3 -178.647 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 65.6 mtm -62.21 -35.19 78.12 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 118.575 -0.726 . . . . 0.0 110.303 178.989 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -61.05 -45.54 94.34 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 106.864 -1.532 . . . . 0.0 106.864 177.536 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.26 -47.88 84.45 Favored Glycine 0 CA--C 1.534 1.258 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 176.956 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -63.42 -42.21 98.72 Favored 'General case' 0 C--N 1.343 0.289 0 CA-C-N 118.44 1.12 . . . . 0.0 109.467 179.207 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.27 -46.15 76.12 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 125.273 1.429 . . . . 0.0 108.559 179.388 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -72.61 -19.8 61.4 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.833 0.853 . . . . 0.0 111.177 179.826 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.9 -14.1 33.7 Favored Glycine 0 CA--C 1.53 0.979 0 CA-C-N 118.801 0.728 . . . . 0.0 113.544 179.651 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.75 -40.3 79.85 Favored 'General case' 0 N--CA 1.432 -1.364 0 C-N-CA 125.522 1.529 . . . . 0.0 110.926 -179.345 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 11.1 t80 . . . . . 0 N--CA 1.455 -0.186 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 178.979 . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.9 mttm . . . . . 0 N--CA 1.438 -1.067 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 . . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.01 -42.31 76.61 Favored 'General case' 0 C--N 1.34 0.155 0 O-C-N 120.788 -1.195 . . . . 0.0 107.865 178.495 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 88.6 mmm -58.31 -44.74 88.73 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 177.777 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 33.0 mmm -56.44 -56.27 23.3 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.199 178.307 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.2 m -52.03 -49.34 63.6 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 178.273 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.06 -37.5 71.92 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 118.064 0.393 . . . . 0.0 110.43 179.001 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.57 -44.88 66.47 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.487 0.715 . . . . 0.0 112.675 -178.868 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.4 m -92.46 -24.58 5.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 N-CA-C 113.695 0.998 . . . . 0.0 113.695 -174.339 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.4 ttmt -52.11 -28.37 17.51 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 119.895 1.225 . . . . 0.0 113.474 -176.305 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -69.33 -16.11 63.47 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 118.469 0.577 . . . . 0.0 112.196 179.078 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.422 ' CE1' HD22 ' A' ' 6' ' ' LEU . 20.8 m-85 -91.28 -168.82 2.15 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 125.77 1.628 . . . . 0.0 109.358 179.623 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 26.7 m -159.83 161.61 34.55 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 127.361 2.265 . . . . 0.0 106.94 -178.81 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -31.31 -48.14 0.12 Allowed 'General case' 0 C--O 1.224 -0.279 0 C-N-CA 126.654 1.982 . . . . 0.0 115.05 -177.171 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 31.3 tp10 -61.17 -52.87 63.02 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 119.152 0.887 . . . . 0.0 110.751 -179.792 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.3 mp0 -65.14 -43.23 92.56 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 124.169 0.988 . . . . 0.0 109.597 -179.683 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 76.6 mt -60.08 -44.1 95.03 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 178.523 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -61.88 -45.21 94.76 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 177.763 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.45 -47.91 82.45 Favored 'General case' 0 C--N 1.339 0.151 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 178.948 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.459 HD21 ' CB ' ' A' ' 6' ' ' LEU . 16.2 mt -58.76 -52.49 65.5 Favored 'General case' 0 N--CA 1.447 -0.622 0 O-C-N 122.002 -0.436 . . . . 0.0 111.571 179.488 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.54 -43.52 97.1 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 -178.566 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -54.85 -44.95 74.44 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 177.969 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -61.43 -66.75 0.49 Allowed 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 178.17 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.538 ' HA ' HD22 ' A' ' 79' ' ' LEU . 54.6 mtm -46.78 -34.73 5.51 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 179.104 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.8 t -58.48 -36.8 74.31 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 118.617 -0.706 . . . . 0.0 110.261 -179.091 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.8 ptmm? -91.95 -35.08 14.2 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 175.944 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.708 HD23 ' HA ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.254 1.298 0 C-N-CA 130.184 3.394 . . . . 0.0 108.639 -178.414 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.85 0 CA-C-O 116.718 -1.611 . . . . 0.0 107.078 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -62.23 118.82 7.91 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 120.734 1.606 . . . . 0.0 111.524 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.22 -49.52 67.55 Favored Glycine 0 CA--C 1.528 0.858 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.58 -47.62 69.96 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 118.57 1.185 . . . . 0.0 110.854 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.33 -47.61 85.1 Favored 'General case' 0 N--CA 1.454 -0.244 0 O-C-N 122.355 -0.215 . . . . 0.0 110.751 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.3 mt -59.77 -40.65 88.95 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 118.72 0.691 . . . . 0.0 110.303 -179.068 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.481 ' N ' HD21 ' A' ' 72' ' ' LEU . 1.8 t80 -76.4 -7.8 55.81 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 115.266 1.58 . . . . 0.0 115.266 -179.324 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.7 tptm -49.12 -38.36 24.79 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -175.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.8 p -71.16 -40.61 71.19 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 122.132 0.968 . . . . 0.0 112.329 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.2 m -62.89 -36.74 84.33 Favored 'General case' 0 CA--C 1.512 -0.517 0 C-N-CA 127.387 2.275 . . . . 0.0 109.408 -175.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -47.39 -30.99 2.0 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.72 0 CA-C-N 113.583 -1.644 . . . . 0.0 109.646 176.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -56.98 -44.16 92.86 Favored Glycine 0 CA--C 1.534 1.222 0 O-C-N 121.67 -0.644 . . . . 0.0 113.042 178.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 m -90.21 -45.64 8.95 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 118.456 1.128 . . . . 0.0 110.399 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 73.1 m-70 -73.92 -14.9 61.13 Favored 'General case' 0 N--CA 1.431 -1.411 0 C-N-CA 125.834 1.654 . . . . 0.0 114.384 -176.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.16 157.54 32.18 Favored Glycine 0 CA--C 1.527 0.817 0 N-CA-C 109.559 -1.416 . . . . 0.0 109.559 -179.076 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.38 -47.46 26.2 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.34 1.056 . . . . 0.0 111.714 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 51.7 p-10 -90.76 15.86 10.37 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 127.387 2.275 . . . . 0.0 112.892 -179.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.676 ' HA3' HD21 ' A' ' 79' ' ' LEU . . . 44.5 28.52 1.55 Allowed Glycine 0 CA--C 1.533 1.199 0 C-N-CA 125.197 1.38 . . . . 0.0 114.284 -179.146 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.5 m -107.77 -11.53 15.38 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.699 0.799 . . . . 0.0 111.52 -178.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.3 124.01 22.71 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 105.757 -1.942 . . . . 0.0 105.757 178.35 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.04 86.09 0.14 Allowed 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 179.103 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -40.39 126.77 2.3 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 125.504 1.522 . . . . 0.0 114.08 -175.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.7 mmt 22.81 -74.54 0.0 OUTLIER 'General case' 0 C--N 1.341 0.219 1 C-N-CA 131.802 4.041 . . . . 0.0 115.136 178.546 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -51.41 -43.92 52.46 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 110.297 -1.121 . . . . 0.0 110.297 179.057 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 74.4 p 131.39 55.59 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 131.641 3.976 . . . . 0.0 107.708 179.394 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.18 144.62 23.64 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 -177.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm -63.43 123.89 82.48 Favored Pre-proline 0 N--CA 1.451 -0.419 0 N-CA-C 102.498 -3.149 . . . . 0.0 102.498 173.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_exo -37.82 112.02 0.11 Allowed 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 123.353 2.702 . . . . 0.0 111.52 -177.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.5 t -61.28 -35.77 68.39 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 -177.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.79 ' HA ' HD23 ' A' ' 79' ' ' LEU . 38.4 tttp -48.37 105.95 0.09 Allowed 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 122.848 1.309 . . . . 0.0 113.369 179.515 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 68.48 37.62 85.73 Favored Glycine 0 N--CA 1.441 -0.968 0 CA-C-N 112.59 -2.095 . . . . 0.0 110.522 177.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -58.02 -42.26 84.89 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 137.21 119.02 1.78 Allowed Glycine 0 C--O 1.217 -0.91 0 C-N-CA 128.287 2.851 . . . . 0.0 107.601 176.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.02 -46.56 8.45 Favored 'General case' 0 C--O 1.225 -0.197 0 CA-C-N 121.069 2.434 . . . . 0.0 112.441 -178.063 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -60.65 -44.32 96.57 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 179.174 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -59.69 -63.8 1.17 Allowed 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 125.969 1.708 . . . . 0.0 108.464 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 32.5 mt -47.01 -50.38 19.33 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 126.417 1.887 . . . . 0.0 110.125 179.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -68.43 -46.35 70.09 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 122.748 0.419 . . . . 0.0 111.755 -178.002 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -57.81 -42.61 84.64 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 45.9 mttp -70.18 -43.06 71.56 Favored 'General case' 0 N--CA 1.437 -1.085 0 C-N-CA 123.542 0.737 . . . . 0.0 110.378 -178.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -63.41 -43.12 98.43 Favored 'General case' 0 C--O 1.221 -0.399 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.043 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.2 tttp -59.34 -48.2 82.55 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 106.981 -1.489 . . . . 0.0 106.981 177.417 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -49.62 -51.79 26.82 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.206 -1.158 . . . . 0.0 110.206 177.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -69.66 -37.74 76.83 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.678 1.239 . . . . 0.0 111.333 178.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.09 -49.59 68.75 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.337 1.055 . . . . 0.0 109.202 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -85.46 -25.43 26.92 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.219 0.607 . . . . 0.0 111.673 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.76 18.34 25.57 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 125.516 1.531 . . . . 0.0 114.24 178.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.0 t -102.17 36.4 2.13 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.01 1.324 . . . . 0.0 111.756 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -153.71 160.11 42.22 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 107.613 -1.254 . . . . 0.0 107.613 177.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -136.27 -175.11 13.64 Favored Glycine 0 C--N 1.338 0.659 0 C-N-CA 123.289 0.471 . . . . 0.0 113.512 -178.123 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 162.83 173.69 31.84 Favored Glycine 0 N--CA 1.426 -1.979 0 C-N-CA 128.494 2.95 . . . . 0.0 108.812 -177.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -48.44 -45.44 36.38 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 126.975 2.11 . . . . 0.0 111.882 -179.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 51.2 mtp180 -125.75 42.73 3.23 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 178.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.09 -35.62 26.17 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.728 0.811 . . . . 0.0 112.141 179.483 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.96 -51.63 60.73 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.52 0.728 . . . . 0.0 110.395 -178.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 95.7 mmm -57.65 -47.27 82.73 Favored 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 178.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 22.2 mmm -55.01 -60.13 3.79 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 114.777 -1.101 . . . . 0.0 110.114 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 64.7 m -47.77 -51.56 21.9 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 125.139 1.375 . . . . 0.0 110.01 177.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -56.85 -44.08 81.79 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-O 119.46 -0.305 . . . . 0.0 110.785 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.15 -57.19 9.18 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 121.87 0.843 . . . . 0.0 109.6 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 54.4 t -50.18 -37.77 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 C-N-CA 126.802 2.041 . . . . 0.0 112.195 -179.315 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.1 tppt? -48.37 -29.91 4.45 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.125 0.97 . . . . 0.0 112.338 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 51.9 tttm -58.12 -32.68 68.37 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.021 0.928 . . . . 0.0 112.739 178.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -92.76 -169.45 2.19 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-O 123.589 1.661 . . . . 0.0 111.969 -176.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.7 m -161.63 156.11 22.71 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 129.162 2.985 . . . . 0.0 107.006 -178.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -22.6 -51.88 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 127.927 2.491 . . . . 0.0 116.194 -178.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -67.1 -49.91 63.33 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.545 0.738 . . . . 0.0 110.39 -178.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -63.18 -42.44 99.38 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 87.8 mt -61.06 -46.24 91.49 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 178.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -57.74 -46.93 83.79 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.15 -43.88 97.85 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.481 HD21 ' N ' ' A' ' 7' ' ' TYR . 13.4 mt -59.6 -49.86 76.13 Favored 'General case' 0 N--CA 1.444 -0.73 0 C-N-CA 120.955 -0.298 . . . . 0.0 110.493 179.413 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.5 -44.15 97.59 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 -179.18 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -53.42 -49.57 67.04 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 178.029 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -60.35 -62.53 1.8 Allowed 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 118.327 -0.844 . . . . 0.0 109.084 178.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.408 ' SD ' ' CE1' ' A' ' 7' ' ' TYR . 60.1 mtm -47.74 -31.19 4.53 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 178.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.4 t -67.2 -23.2 65.72 Favored 'General case' 0 CA--C 1.529 0.148 0 O-C-N 121.506 -0.746 . . . . 0.0 112.425 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -103.01 -45.11 5.04 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 177.032 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.79 HD23 ' HA ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.243 0 C-N-CA 130.48 3.512 . . . . 0.0 111.312 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.7 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -51.21 120.48 5.03 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 119.424 1.011 . . . . 0.0 112.337 -178.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.61 -43.26 91.2 Favored Glycine 0 N--CA 1.447 -0.621 0 N-CA-C 110.277 -1.129 . . . . 0.0 110.277 178.541 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.32 -24.23 66.29 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 118.012 0.906 . . . . 0.0 112.397 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -85.72 -50.32 7.26 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 107.734 -1.209 . . . . 0.0 107.734 179.277 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 82.2 mt -55.81 -45.63 78.24 Favored 'General case' 0 N--CA 1.44 -0.938 0 CA-C-O 119.285 -0.388 . . . . 0.0 110.41 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.404 ' N ' HD21 ' A' ' 72' ' ' LEU . 1.3 t80 -63.89 -14.53 54.16 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 114.558 1.318 . . . . 0.0 114.558 -177.393 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -54.79 -38.67 67.57 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 119.839 1.199 . . . . 0.0 109.814 177.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.3 -5.41 10.46 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.07 1.748 . . . . 0.0 113.584 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.6 m -115.17 -38.22 3.9 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 127.14 2.176 . . . . 0.0 110.473 -175.285 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.1 mp -45.8 -32.74 1.38 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 C-N-CA 125.322 1.449 . . . . 0.0 110.798 178.404 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -51.08 -41.28 45.72 Favored Glycine 0 CA--C 1.536 1.381 0 CA-C-N 118.561 0.619 . . . . 0.0 112.054 177.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 15.3 t -94.45 -46.79 6.85 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 123.761 0.824 . . . . 0.0 110.062 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 57.9 m-70 -64.52 -17.42 63.88 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.94 1.296 . . . . 0.0 113.932 -177.237 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.76 115.0 0.02 OUTLIER Glycine 0 CA--C 1.524 0.607 0 N-CA-C 115.812 1.085 . . . . 0.0 115.812 175.617 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 59.23 -65.68 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 127.801 2.44 . . . . 0.0 113.795 176.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -165.04 63.26 0.12 Allowed 'General case' 0 N--CA 1.435 -1.198 0 N-CA-C 106.115 -1.809 . . . . 0.0 106.115 -178.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.53 26.19 70.68 Favored Glycine 0 C--N 1.339 0.737 0 C-N-CA 124.192 0.901 . . . . 0.0 113.954 -179.523 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 87.4 p -89.79 -25.33 21.15 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 -177.011 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -102.41 152.01 21.61 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 122.492 1.139 . . . . 0.0 112.61 -176.326 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.407 ' HB1' ' HA ' ' A' ' 25' ' ' SER . . . -75.56 89.52 2.73 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 114.307 -1.315 . . . . 0.0 108.532 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.529 ' HB1' ' CHD' ' A' ' 80' ' ' HEM . . . -40.52 68.31 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 130.454 3.502 . . . . 0.0 117.616 -177.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.5 mmt 60.41 -66.09 0.05 Allowed 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 127.844 2.458 . . . . 0.0 112.614 177.143 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.01 -33.13 60.24 Favored Glycine 0 CA--C 1.528 0.884 0 N-CA-C 108.616 -1.794 . . . . 0.0 108.616 176.374 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.407 ' HA ' ' HB1' ' A' ' 21' ' ' ALA . 36.6 m 112.0 61.5 0.0 OUTLIER 'General case' 0 C--N 1.34 0.174 0 C-N-CA 130.689 3.596 . . . . 0.0 109.323 177.187 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.86 123.59 19.33 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 118.494 -1.282 . . . . 0.0 113.733 -179.162 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.7 pttp -53.67 119.41 18.33 Favored Pre-proline 0 CA--C 1.539 0.557 0 N-CA-C 103.077 -2.935 . . . . 0.0 103.077 172.389 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 0.8 OUTLIER -20.51 102.13 0.01 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.694 1 C-N-CA 125.734 4.289 . . . . 0.0 114.847 -175.093 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.4 t -56.8 -34.72 44.13 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 N-CA-C 105.613 -1.995 . . . . 0.0 105.613 178.215 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.3 tttp -62.31 93.76 0.05 Allowed 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 124.624 1.169 . . . . 0.0 109.612 173.3 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 127.28 -14.28 6.55 Favored Glycine 0 CA--C 1.522 0.505 0 CA-C-N 113.429 -1.714 . . . . 0.0 111.999 178.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -66.36 148.3 52.06 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 118.818 1.309 . . . . 0.0 107.471 178.532 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -85.89 144.38 20.26 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 121.432 -0.793 . . . . 0.0 113.766 -176.382 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -46.63 -46.94 20.11 Favored 'General case' 0 C--O 1.223 -0.294 0 C-N-CA 125.928 1.691 . . . . 0.0 111.836 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -55.62 -52.36 64.04 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 178.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -55.07 -61.83 2.06 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 124.935 1.294 . . . . 0.0 108.765 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.7 mt -51.5 -43.46 62.22 Favored 'General case' 0 N--CA 1.439 -0.987 0 C-N-CA 125.387 1.475 . . . . 0.0 111.635 -179.063 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -69.23 -46.55 67.07 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 118.602 0.637 . . . . 0.0 110.229 -178.489 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -63.88 -39.53 94.41 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 120.136 -0.625 . . . . 0.0 109.893 -177.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -74.0 -46.35 44.25 Favored 'General case' 0 N--CA 1.438 -1.044 0 C-N-CA 122.591 0.356 . . . . 0.0 111.24 -177.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -65.8 -38.31 88.63 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 179.503 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -64.25 -43.12 95.86 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 106.775 -1.565 . . . . 0.0 106.775 176.013 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.68 -41.45 57.34 Favored Glycine 0 CA--C 1.532 1.133 0 N-CA-C 110.16 -1.176 . . . . 0.0 110.16 176.029 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -75.23 -35.36 61.46 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 118.241 1.02 . . . . 0.0 109.887 176.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.36 -50.1 70.54 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 178.617 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -77.67 -31.96 52.84 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 177.321 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.35 -3.9 40.43 Favored Glycine 0 CA--C 1.529 0.918 0 C-N-CA 124.998 1.285 . . . . 0.0 114.826 176.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.9 t -72.37 -32.76 66.72 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 118.764 1.282 . . . . 0.0 111.861 -178.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -80.28 150.12 30.1 Favored 'General case' 0 C--N 1.343 0.316 0 CA-C-N 120.093 1.315 . . . . 0.0 108.606 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -128.52 -169.41 12.6 Favored Glycine 0 C--N 1.335 0.478 0 CA-C-O 122.011 0.784 . . . . 0.0 112.666 -179.341 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 162.53 176.14 34.29 Favored Glycine 0 N--CA 1.421 -2.323 0 C-N-CA 127.94 2.686 . . . . 0.0 108.769 -178.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -50.91 -28.23 9.22 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 126.391 1.877 . . . . 0.0 112.214 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -138.48 43.06 2.16 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 118.633 0.652 . . . . 0.0 109.782 178.556 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.95 -36.55 39.3 Favored 'General case' 0 C--N 1.343 0.29 0 C-N-CA 123.611 0.764 . . . . 0.0 112.699 -179.619 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.09 -53.15 58.16 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.49 0.716 . . . . 0.0 111.392 -177.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -60.06 -42.48 94.61 Favored 'General case' 0 N--CA 1.456 -0.131 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 179.293 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 28.8 mmm -56.14 -60.61 3.25 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 178.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 87.6 m -48.15 -47.22 35.04 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.517 1.127 . . . . 0.0 109.656 177.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -61.74 -38.53 88.32 Favored 'General case' 0 CA--C 1.532 0.279 0 O-C-N 121.696 -0.628 . . . . 0.0 111.63 179.546 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.36 -34.04 65.38 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 118.447 0.567 . . . . 0.0 111.628 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 59.8 t -84.89 -43.2 16.98 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.188 0 C-N-CA 127.045 2.138 . . . . 0.0 116.005 -175.272 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.91 -30.88 0.44 Allowed 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 115.446 1.647 . . . . 0.0 115.446 -176.339 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.7 ptpp? -73.99 -17.06 61.04 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 113.348 0.869 . . . . 0.0 113.348 -178.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -80.12 -171.66 3.06 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-O 124.065 1.888 . . . . 0.0 110.675 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 36.1 m -155.93 163.68 39.45 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 128.749 2.819 . . . . 0.0 107.153 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -34.28 -50.93 0.43 Allowed 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.644 1.578 . . . . 0.0 114.668 -177.342 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -62.42 -50.93 69.56 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 121.068 0.461 . . . . 0.0 110.135 -178.119 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -58.36 -46.2 86.74 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 179.082 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 39.7 mt -58.81 -51.57 69.42 Favored 'General case' 0 C--N 1.338 0.099 0 CA-C-N 117.735 0.243 . . . . 0.0 110.439 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -57.62 -44.46 85.52 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 123.299 0.64 . . . . 0.0 109.994 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.82 -46.93 79.91 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 -179.228 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.472 HD23 ' HA ' ' A' ' 72' ' ' LEU . 13.0 mt -60.3 -50.52 73.31 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-O 119.475 -0.298 . . . . 0.0 110.321 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.23 -40.83 91.6 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -57.62 -52.0 67.22 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 177.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -55.6 -59.34 4.98 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 179.104 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 62.3 mtm -49.35 -39.81 33.22 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 177.181 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.3 t -71.51 -15.06 62.29 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 121.005 -1.059 . . . . 0.0 112.728 -179.056 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -93.77 0.72 56.46 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 118.75 0.705 . . . . 0.0 109.775 177.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 88.8 mt . . . . . 0 C--O 1.25 1.091 0 CA-C-O 117.27 -1.348 . . . . 0.0 109.268 176.955 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 80' ' ' HEM . . . . . 0.529 ' CHD' ' HB1' ' A' ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.728 0 N-CA-C 106.62 -1.622 . . . . 0.0 106.62 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -57.29 144.28 36.34 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 106.826 -1.546 . . . . 0.0 106.826 176.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 77.8 80.65 0.67 Allowed Glycine 0 N--CA 1.44 -1.097 1 N-CA-C 100.449 -5.06 . . . . 0.0 100.449 -171.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 118.82 -38.46 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 130.451 3.501 . . . . 0.0 107.397 -173.684 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.22 -22.11 33.22 Favored 'General case' 0 C--N 1.347 0.483 0 C-N-CA 118.634 -1.226 . . . . 0.0 110.168 -176.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.496 ' HB2' HD13 ' A' ' 72' ' ' LEU . 17.7 mt -88.79 -40.02 13.49 Favored 'General case' 0 N--CA 1.431 -1.376 0 N-CA-C 106.001 -1.852 . . . . 0.0 106.001 -179.112 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.405 ' CE1' ' SD ' ' A' ' 76' ' ' MET . 2.0 t80 -64.33 -22.21 66.87 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 -178.496 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.1 tptm -51.81 -33.95 37.97 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 118.598 0.635 . . . . 0.0 110.213 178.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.19 7.84 2.51 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.696 1.598 . . . . 0.0 113.223 178.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.433 ' HB3' ' C4B' ' A' ' 80' ' ' HEM . 4.2 m -128.79 -37.29 1.76 Allowed 'General case' 0 C--O 1.235 0.322 0 C-N-CA 127.144 2.178 . . . . 0.0 109.997 -173.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 21.2 mm -40.97 -35.95 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 C-N-CA 126.36 1.864 . . . . 0.0 110.51 176.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -47.99 -44.06 25.01 Favored Glycine 0 CA--C 1.537 1.431 0 CA-C-O 119.679 -0.512 . . . . 0.0 112.853 178.109 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.1 m -92.96 -44.99 8.16 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 118.033 0.916 . . . . 0.0 110.459 179.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 41.0 m-70 -71.58 -14.24 62.02 Favored 'General case' 0 N--CA 1.434 -1.227 0 C-N-CA 126.828 2.051 . . . . 0.0 115.579 -175.606 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 83.65 160.69 30.59 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 110.359 -1.097 . . . . 0.0 110.359 -179.362 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -42.72 -18.85 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 128.018 2.527 . . . . 0.0 116.357 -177.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -153.28 40.37 0.53 Allowed 'General case' 0 N--CA 1.439 -0.985 0 CA-C-N 119.453 1.024 . . . . 0.0 109.862 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 53.52 29.32 39.21 Favored Glycine 0 C--N 1.341 0.852 0 CA-C-N 117.809 0.277 . . . . 0.0 112.95 179.312 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.2 p -90.8 -34.28 15.37 Favored 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 127.444 2.298 . . . . 0.0 111.865 -177.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -73.72 124.87 26.85 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 -179.301 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.16 85.2 0.37 Allowed 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 105.99 -1.855 . . . . 0.0 105.99 176.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -41.37 131.91 2.76 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 125.453 1.501 . . . . 0.0 114.202 -176.064 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.5 mmt 22.01 -78.9 0.0 OUTLIER 'General case' 0 C--N 1.342 0.262 0 C-N-CA 131.167 3.787 . . . . 0.0 115.39 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -52.13 -33.48 37.8 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 123.284 0.468 . . . . 0.0 112.141 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 67.6 m 119.13 59.95 0.0 OUTLIER 'General case' 0 N--CA 1.458 -0.071 1 C-N-CA 131.898 4.079 . . . . 0.0 106.655 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.12 142.49 36.53 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 114.235 1.198 . . . . 0.0 114.235 -178.203 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.4 mtmm -62.96 119.63 53.58 Favored Pre-proline 0 N--CA 1.45 -0.462 0 N-CA-C 102.614 -3.106 . . . . 0.0 102.614 174.078 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_exo -33.58 106.62 0.04 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 124.1 3.2 . . . . 0.0 113.137 -177.229 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.7 t -55.03 -35.14 33.69 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.2 tptt -40.23 92.52 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 127.721 2.408 . . . . 0.0 113.608 174.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 73.64 39.47 48.86 Favored Glycine 0 N--CA 1.447 -0.633 0 CA-C-N 112.606 -2.088 . . . . 0.0 111.41 177.101 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -57.73 -45.94 85.11 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 139.01 126.07 2.35 Favored Glycine 0 C--O 1.215 -1.091 0 C-N-CA 127.96 2.695 . . . . 0.0 108.459 175.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -50.31 -44.22 54.06 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 122.117 2.959 . . . . 0.0 112.181 -178.365 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -59.57 -53.23 60.48 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 122.507 1.146 . . . . 0.0 108.675 178.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -50.36 -63.8 1.01 Allowed 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 112.762 -2.017 . . . . 0.0 109.261 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.6 mt -50.93 -45.44 60.53 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 127.28 2.232 . . . . 0.0 110.469 178.59 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -63.9 -49.77 71.35 Favored 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 121.871 -0.518 . . . . 0.0 110.757 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.2 ttpm? -57.47 -42.12 81.98 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.6 mttm -62.48 -52.35 63.86 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 123.967 0.907 . . . . 0.0 110.11 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 67.9 mtm -64.36 -36.46 84.2 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 118.187 -0.911 . . . . 0.0 111.258 179.151 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.9 tptm -59.88 -46.25 89.92 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 106.074 -1.824 . . . . 0.0 106.074 177.17 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -53.81 -56.69 19.29 Favored Glycine 0 CA--C 1.528 0.85 0 N-CA-C 110.796 -0.922 . . . . 0.0 110.796 177.339 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -66.01 -41.98 90.29 Favored 'General case' 0 C--N 1.341 0.199 0 CA-C-N 118.786 1.293 . . . . 0.0 111.477 -179.148 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.73 -46.63 64.07 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.568 1.147 . . . . 0.0 108.532 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -88.3 6.98 34.45 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.272 1.029 . . . . 0.0 112.469 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 56.03 31.16 58.49 Favored Glycine 0 CA--C 1.532 1.099 0 C-N-CA 124.481 1.039 . . . . 0.0 112.977 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.8 t -118.17 38.95 3.54 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 125.784 1.634 . . . . 0.0 111.504 -178.3 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -159.48 158.8 32.64 Favored 'General case' 0 C--O 1.232 0.18 0 N-CA-C 107.27 -1.381 . . . . 0.0 107.27 179.396 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -135.3 175.34 20.75 Favored Glycine 0 C--N 1.339 0.708 0 CA-C-O 121.803 0.669 . . . . 0.0 114.121 -177.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 172.52 174.68 39.98 Favored Glycine 0 N--CA 1.427 -1.916 1 C-N-CA 130.791 4.043 . . . . 0.0 107.612 -178.079 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -53.52 -45.76 69.86 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 125.348 1.459 . . . . 0.0 112.261 -178.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -116.7 38.33 3.5 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.893 0.877 . . . . 0.0 110.069 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.42 -28.83 56.66 Favored 'General case' 0 C--O 1.225 -0.204 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 -179.374 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.39 -55.93 13.45 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 118.735 0.698 . . . . 0.0 109.525 -179.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 35.4 mtt -55.85 -48.37 75.62 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 178.38 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.7 mmm -56.33 -52.8 63.21 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.496 179.327 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 32.1 m -53.81 -52.9 58.84 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 179.294 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -55.28 -42.51 73.67 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 117.862 0.301 . . . . 0.0 110.543 178.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.65 -43.18 97.5 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 118.437 -0.792 . . . . 0.0 112.902 -178.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.6 m -90.55 -34.93 6.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-N 120.252 1.387 . . . . 0.0 112.316 -176.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -55.96 -24.95 41.52 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -175.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -70.39 -16.01 62.91 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 118.744 0.702 . . . . 0.0 111.355 178.297 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -91.83 -176.57 4.48 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-O 122.65 1.214 . . . . 0.0 110.241 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 32.5 m -127.08 161.0 29.46 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 127.683 2.393 . . . . 0.0 109.696 -179.386 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -39.83 -50.34 2.41 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.402 1.481 . . . . 0.0 113.826 -179.02 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -59.2 -47.5 85.09 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-O 121.269 0.557 . . . . 0.0 110.369 -178.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -63.62 -43.94 95.37 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 72.6 mt -57.84 -49.05 77.96 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 178.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.3 ttpp -55.39 -50.51 69.56 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 178.024 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.56 -45.21 73.45 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.023 0.529 . . . . 0.0 109.706 178.6 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.496 HD13 ' HB2' ' A' ' 6' ' ' LEU . 1.6 tp -60.16 -51.43 69.64 Favored 'General case' 0 N--CA 1.449 -0.52 0 O-C-N 121.999 -0.438 . . . . 0.0 111.21 179.761 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.95 -40.23 97.04 Favored 'General case' 0 CA--C 1.516 -0.332 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 -178.054 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -55.44 -51.28 67.42 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 107.319 -1.363 . . . . 0.0 107.319 177.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -57.9 -59.42 5.28 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 110.436 -0.209 . . . . 0.0 110.436 179.251 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.405 ' SD ' ' CE1' ' A' ' 7' ' ' TYR . 66.9 mtm -49.99 -40.84 45.54 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 179.029 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.1 t -71.84 -14.83 62.07 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 121.146 -0.971 . . . . 0.0 112.161 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -104.57 10.55 34.95 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.743 1.217 . . . . 0.0 110.451 179.285 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 75.2 mt . . . . . 0 C--O 1.251 1.137 0 CA-C-O 117.21 -1.376 . . . . 0.0 109.533 177.053 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 80' ' ' HEM . . . . . 0.433 ' C4B' ' HB3' ' A' ' 10' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.675 0 CA-C-O 117.465 -1.255 . . . . 0.0 107.773 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -64.46 125.98 26.38 Favored 'General case' 0 CA--C 1.528 0.112 0 CA-C-N 118.928 0.786 . . . . 0.0 109.916 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.83 -34.36 77.49 Favored Glycine 0 N--CA 1.445 -0.755 0 CA-C-O 119.323 -0.71 . . . . 0.0 111.575 177.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.16 -27.48 65.7 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 118.631 1.215 . . . . 0.0 110.231 177.482 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.07 -32.03 16.89 Favored 'General case' 0 N--CA 1.443 -0.8 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 178.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.422 ' C ' HD21 ' A' ' 72' ' ' LEU . 36.1 mt -73.57 -31.92 63.87 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 118.377 -1.329 . . . . 0.0 110.515 -177.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.478 ' HD1' HD22 ' A' ' 72' ' ' LEU . 0.9 OUTLIER -76.61 -7.64 55.65 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 -178.19 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -52.36 -41.42 63.05 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 119.576 1.08 . . . . 0.0 112.789 -179.196 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 p -69.77 -8.3 46.91 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.857 1.263 . . . . 0.0 113.103 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.3 m -106.59 -38.86 6.02 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 126.863 2.065 . . . . 0.0 110.011 -175.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.1 mp -44.1 -37.48 1.28 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 C-N-CA 125.638 1.575 . . . . 0.0 110.447 177.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -48.99 -43.3 31.3 Favored Glycine 0 CA--C 1.533 1.19 0 C-N-CA 123.641 0.639 . . . . 0.0 112.61 178.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.9 m -93.85 -43.13 8.74 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 117.718 0.759 . . . . 0.0 110.604 179.405 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.586 ' HB3' ' HA2' ' A' ' 18' ' ' GLY . 91.5 m-70 -71.38 -18.37 62.36 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 -175.413 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.73 115.95 0.52 Allowed Glycine 0 CA--C 1.532 1.097 0 N-CA-C 116.815 1.486 . . . . 0.0 116.815 174.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 61.76 -70.37 0.05 OUTLIER 'General case' 0 C--N 1.343 0.296 0 C-N-CA 128.306 2.642 . . . . 0.0 112.01 177.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -130.84 -25.8 2.27 Favored 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 127.879 2.472 . . . . 0.0 110.895 179.031 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.586 ' HA2' ' HB3' ' A' ' 14' ' ' HIS . . . 139.86 34.6 0.14 Allowed Glycine 0 CA--C 1.526 0.765 0 C-N-CA 127.088 2.28 . . . . 0.0 112.113 177.303 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.5 m -84.18 -22.82 30.81 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 124.924 1.289 . . . . 0.0 114.097 -177.384 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -94.16 153.35 18.14 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 122.749 1.261 . . . . 0.0 113.039 -176.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.86 84.35 2.8 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 106.441 -1.688 . . . . 0.0 106.441 177.055 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -39.61 133.28 1.49 Allowed 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 114.92 1.452 . . . . 0.0 114.92 -176.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 26.0 mmt 19.5 -77.67 0.0 OUTLIER 'General case' 0 C--N 1.342 0.252 0 C-N-CA 131.419 3.888 . . . . 0.0 115.64 178.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -50.61 -40.21 39.64 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 65.2 m 126.9 59.48 0.0 OUTLIER 'General case' 0 CA--C 1.528 0.11 1 C-N-CA 131.919 4.088 . . . . 0.0 106.783 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.35 153.97 14.5 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 -178.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -66.9 122.49 82.66 Favored Pre-proline 0 N--CA 1.446 -0.653 0 N-CA-C 100.854 -3.758 . . . . 0.0 100.854 172.636 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -41.19 110.77 0.14 Allowed 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.365 2.71 . . . . 0.0 110.72 -175.517 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.3 t -54.02 -46.39 65.63 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 -177.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 51.2 tttp -44.67 104.41 0.04 OUTLIER 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 122.812 1.291 . . . . 0.0 113.944 175.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 83.03 26.2 45.74 Favored Glycine 0 N--CA 1.442 -0.903 0 CA-C-N 112.901 -1.954 . . . . 0.0 112.476 175.277 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -64.26 -38.26 90.43 Favored 'General case' 0 N--CA 1.426 -1.627 0 CA-C-N 118.959 1.38 . . . . 0.0 107.325 178.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 121.5 125.69 3.19 Favored Glycine 0 C--O 1.216 -0.973 0 C-N-CA 127.842 2.639 . . . . 0.0 109.731 176.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.22 -48.29 9.34 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 120.919 2.359 . . . . 0.0 112.959 -177.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -60.67 -42.64 97.45 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 121.388 0.613 . . . . 0.0 110.054 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.4 -62.84 1.57 Allowed 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 126.312 1.845 . . . . 0.0 108.214 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 23.7 mt -49.29 -45.15 44.75 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 127.53 2.332 . . . . 0.0 109.679 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -65.04 -52.07 57.95 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 119.017 -0.516 . . . . 0.0 110.507 178.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.66 -39.23 76.6 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 118.455 0.571 . . . . 0.0 109.63 -179.707 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 36.9 mmtm -64.54 -51.38 63.18 Favored 'General case' 0 N--CA 1.441 -0.906 0 C-N-CA 124.163 0.985 . . . . 0.0 109.783 -179.209 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.431 ' HG3' HMA1 ' A' ' 80' ' ' HEM . 1.4 mtm -60.81 -44.09 97.35 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-O 118.854 -0.593 . . . . 0.0 109.865 178.788 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 45.4 tptt -56.32 -47.74 78.11 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 107.039 -1.467 . . . . 0.0 107.039 178.064 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.18 -50.58 45.52 Favored Glycine 0 CA--C 1.529 0.934 0 N-CA-C 110.724 -0.95 . . . . 0.0 110.724 177.409 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -68.61 -39.18 80.95 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 118.804 1.302 . . . . 0.0 110.83 178.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.29 -52.13 64.45 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.065 1.346 . . . . 0.0 109.617 -178.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.8 p30 -84.63 -20.11 31.88 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.555 0.742 . . . . 0.0 111.863 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.7 19.18 52.8 Favored Glycine 0 CA--C 1.531 1.056 0 C-N-CA 124.79 1.186 . . . . 0.0 113.633 178.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.4 t -100.71 37.33 1.73 Allowed 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 118.636 1.218 . . . . 0.0 110.701 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -165.08 163.04 20.6 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 125.052 1.341 . . . . 0.0 107.49 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.14 -179.01 28.31 Favored Glycine 0 C--N 1.335 0.524 0 CA-C-O 121.682 0.601 . . . . 0.0 112.367 -179.588 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.429 ' H ' ' HB3' ' A' ' 54' ' ' LYS . . . -178.91 175.42 47.32 Favored Glycine 0 N--CA 1.424 -2.147 0 C-N-CA 130.422 3.868 . . . . 0.0 106.929 -178.636 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -43.15 -50.66 6.22 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 125.414 1.485 . . . . 0.0 111.955 -179.213 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -110.57 37.45 2.75 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.707 1.203 . . . . 0.0 111.158 -179.204 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.429 ' HB3' ' H ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -47.79 -40.36 20.67 Favored 'General case' 0 C--N 1.342 0.273 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 -178.74 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.28 -53.35 56.44 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.165 0.586 . . . . 0.0 110.467 -178.408 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.09 -46.14 82.79 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 179.48 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 17.2 mmm -55.14 -58.57 7.12 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.366 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 90.8 m -50.12 -46.88 54.12 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.099 0.959 . . . . 0.0 109.257 177.282 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -57.81 -38.48 75.62 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.071 0.548 . . . . 0.0 110.844 178.182 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.56 -32.88 58.44 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.444 0.698 . . . . 0.0 111.683 -179.259 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 42.8 t -86.41 -35.75 9.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 125.991 1.717 . . . . 0.0 115.382 -176.152 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.1 ptmm? -52.0 -29.4 20.71 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 119.917 1.235 . . . . 0.0 113.438 -177.174 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 34.7 pttt -74.34 -8.19 55.41 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -112.11 141.04 46.27 Favored 'General case' 0 N--CA 1.439 -0.975 0 C-N-CA 125.441 1.497 . . . . 0.0 107.576 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 88.5 p -104.67 164.27 11.89 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 127.74 2.416 . . . . 0.0 109.449 -178.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -33.79 -50.35 0.36 Allowed 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 125.611 1.565 . . . . 0.0 114.877 -177.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.8 tp10 -66.47 -44.36 82.95 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 120.857 0.361 . . . . 0.0 110.938 -178.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -63.52 -43.78 96.19 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.454 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 74.8 mt -59.56 -48.88 79.95 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.77 0.828 . . . . 0.0 109.546 177.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -57.62 -47.75 81.33 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.169 0.587 . . . . 0.0 109.7 178.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.15 -44.27 97.58 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.478 HD22 ' HD1' ' A' ' 7' ' ' TYR . 15.1 mt -60.7 -49.1 78.88 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-O 119.049 -0.5 . . . . 0.0 110.736 179.214 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.82 -42.58 89.55 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 -178.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -55.39 -50.79 68.82 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 177.135 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -58.58 -56.84 16.91 Favored 'General case' 0 C--N 1.342 0.245 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.581 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.424 ' SD ' HMA3 ' A' ' 80' ' ' HEM . 60.2 mtm -49.59 -42.62 44.98 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 118.432 0.56 . . . . 0.0 112.156 178.588 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.3 t -65.83 -6.97 13.69 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 117.994 -1.003 . . . . 0.0 113.073 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -107.55 5.93 27.51 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.979 1.312 . . . . 0.0 111.092 179.169 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.111 0 CA-C-O 117.255 -1.355 . . . . 0.0 109.39 176.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' HEM . . . . . 0.431 HMA1 ' HG3' ' A' ' 41' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.642 0 CA-C-O 117.985 -1.007 . . . . 0.0 108.461 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -59.38 136.55 58.01 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 118.572 0.624 . . . . 0.0 110.891 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.64 -60.57 8.67 Favored Glycine 0 N--CA 1.447 -0.579 0 N-CA-C 109.994 -1.242 . . . . 0.0 109.994 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -49.36 -45.64 46.08 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 117.52 0.66 . . . . 0.0 110.804 -179.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.02 -37.79 77.73 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 112.408 0.521 . . . . 0.0 112.408 -179.135 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 58.8 mt -74.81 -45.35 44.08 Favored 'General case' 0 N--CA 1.438 -1.051 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 178.406 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -57.29 -22.31 40.85 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 -176.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.1 mtmm -53.64 -34.87 60.05 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 121.232 -0.918 . . . . 0.0 110.657 178.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.32 -4.68 15.22 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.984 1.313 . . . . 0.0 113.565 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.1 m -111.34 -38.36 5.01 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 127.112 2.165 . . . . 0.0 110.649 -175.114 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.2 mp -45.7 -32.37 1.27 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 C-N-CA 125.505 1.522 . . . . 0.0 110.827 178.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -50.82 -43.7 48.18 Favored Glycine 0 CA--C 1.537 1.418 0 CA-C-N 118.343 0.519 . . . . 0.0 112.123 177.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.1 m -95.35 -44.1 7.72 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 117.809 0.804 . . . . 0.0 110.105 179.197 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.454 ' CE1' HG21 ' A' ' 29' ' ' VAL . 87.2 m-70 -65.96 -20.37 66.18 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.741 0.816 . . . . 0.0 113.169 -176.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 73.09 102.57 0.07 OUTLIER Glycine 0 CA--C 1.526 0.772 0 N-CA-C 115.806 1.082 . . . . 0.0 115.806 174.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 66.13 -48.72 0.42 Allowed 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 128.512 2.725 . . . . 0.0 114.491 176.378 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -146.56 -65.1 0.29 Allowed 'General case' 0 N--CA 1.435 -1.214 0 C-N-CA 127.602 2.361 . . . . 0.0 106.697 -178.434 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -179.93 32.78 0.06 OUTLIER Glycine 0 CA--C 1.52 0.346 0 N-CA-C 108.334 -1.906 . . . . 0.0 108.334 177.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 86.5 p -78.67 -32.81 47.32 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 124.694 1.197 . . . . 0.0 111.586 -177.094 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -90.61 135.76 33.5 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-O 121.456 0.646 . . . . 0.0 109.867 -178.441 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.84 83.38 0.92 Allowed 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 105.392 -2.077 . . . . 0.0 105.392 177.089 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -33.82 128.82 0.34 Allowed 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 125.786 1.634 . . . . 0.0 114.478 -175.314 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 96.1 mmm 20.09 -77.6 0.0 OUTLIER 'General case' 0 C--N 1.343 0.317 0 C-N-CA 130.36 3.464 . . . . 0.0 113.193 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.53 44.37 1.7 Allowed Glycine 0 CA--C 1.534 1.246 0 CA-C-N 118.533 0.606 . . . . 0.0 111.956 178.184 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.7 p 48.22 53.54 11.63 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 126.503 1.921 . . . . 0.0 111.516 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.29 149.22 29.39 Favored 'General case' 0 N--CA 1.448 -0.564 0 N-CA-C 114.177 1.176 . . . . 0.0 114.177 -179.506 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.0 mtmm -61.59 122.97 74.7 Favored Pre-proline 0 CA--C 1.535 0.38 0 N-CA-C 102.936 -2.987 . . . . 0.0 102.936 173.416 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_exo -37.12 109.15 0.06 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.519 0 C-N-CA 123.54 2.827 . . . . 0.0 112.327 -178.078 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.454 HG21 ' CE1' ' A' ' 14' ' ' HIS . 76.9 t -58.84 -34.06 51.24 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -178.763 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.2 tmtm? -66.21 89.23 0.13 Allowed 'General case' 0 CA--C 1.515 -0.399 0 CA-C-O 122.574 1.178 . . . . 0.0 108.082 174.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 134.69 -11.56 4.57 Favored Glycine 0 CA--C 1.523 0.572 0 CA-C-N 112.647 -2.069 . . . . 0.0 113.178 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -67.85 147.52 52.42 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 119.598 1.699 . . . . 0.0 106.82 178.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.93 144.9 17.32 Favored Glycine 0 N--CA 1.475 1.296 0 CA-C-O 118.54 -1.145 . . . . 0.0 114.124 -175.399 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.19 -48.3 9.25 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 119.837 1.819 . . . . 0.0 113.364 -177.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -59.82 -44.41 94.04 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -59.95 -64.68 0.86 Allowed 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 179.018 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 53.6 mt -44.34 -48.28 9.66 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 127.107 2.163 . . . . 0.0 110.603 -179.44 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -69.54 -49.75 51.41 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 119.054 -0.498 . . . . 0.0 111.99 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -60.27 -40.32 89.95 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 118.793 0.724 . . . . 0.0 109.7 -179.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 41.0 mmtm -66.02 -51.4 58.65 Favored 'General case' 0 N--CA 1.437 -1.085 0 C-N-CA 124.962 1.305 . . . . 0.0 109.506 -179.043 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 53.9 mtm -63.7 -38.65 91.91 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-O 117.726 -1.13 . . . . 0.0 110.061 178.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -60.5 -44.82 95.57 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 121.156 1.798 . . . . 0.0 106.889 177.241 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -51.71 -48.64 49.76 Favored Glycine 0 CA--C 1.532 1.115 0 N-CA-C 110.423 -1.071 . . . . 0.0 110.423 176.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -71.26 -37.44 71.93 Favored 'General case' 0 CA--C 1.534 0.329 0 O-C-N 121.116 -1.226 . . . . 0.0 110.841 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.19 -60.38 3.47 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 126.472 1.909 . . . . 0.0 110.543 -177.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -144.05 25.2 1.6 Allowed 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 -176.138 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -131.32 18.76 4.93 Favored Glycine 0 CA--C 1.526 0.729 0 CA-C-N 119.177 0.898 . . . . 0.0 112.881 -178.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.0 t 39.2 42.59 0.77 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 127.503 2.321 . . . . 0.0 112.098 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -65.36 160.1 22.59 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 176.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -121.61 -177.77 15.6 Favored Glycine 0 C--N 1.338 0.688 0 N-CA-C 116.862 1.505 . . . . 0.0 116.862 -177.177 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 165.06 175.61 35.93 Favored Glycine 0 N--CA 1.425 -2.047 1 C-N-CA 131.291 4.281 . . . . 0.0 106.055 -177.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -55.23 -38.47 68.5 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 124.076 0.951 . . . . 0.0 110.95 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 72.2 mtp85 -121.28 37.93 4.21 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 124.074 0.95 . . . . 0.0 110.599 -179.215 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -45.19 -42.79 9.53 Favored 'General case' 0 N--CA 1.439 -0.99 0 C-N-CA 125.256 1.422 . . . . 0.0 112.874 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.49 -44.98 95.07 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.516 0.727 . . . . 0.0 111.363 -178.233 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -63.11 -44.24 96.19 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 38.1 mmm -60.13 -60.45 3.8 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.771 179.185 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 19.6 m -51.8 -41.05 61.41 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-N 119.249 0.931 . . . . 0.0 110.322 177.494 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -58.84 -48.8 80.06 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 119.876 1.216 . . . . 0.0 110.257 178.225 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.18 -40.87 90.78 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -179.459 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 71.5 t -79.55 -41.23 22.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 125.85 1.66 . . . . 0.0 114.713 -175.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -56.1 -30.72 62.46 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 119.453 1.024 . . . . 0.0 111.572 -177.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.9 ptmm? -80.5 9.96 5.31 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 118.962 -0.542 . . . . 0.0 112.157 178.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -121.01 141.02 51.12 Favored 'General case' 0 N--CA 1.441 -0.899 0 C-N-CA 125.394 1.478 . . . . 0.0 107.121 177.359 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 53.9 p -93.14 168.29 11.21 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 127.654 2.381 . . . . 0.0 109.534 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -47.81 -41.52 23.86 Favored 'General case' 0 C--O 1.224 -0.282 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -61.83 -54.57 40.35 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 118.403 0.547 . . . . 0.0 109.713 179.267 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -55.47 -51.04 68.27 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.997 0.919 . . . . 0.0 109.793 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 70.6 mt -58.99 -48.25 82.23 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.454 1.102 . . . . 0.0 110.709 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 29.2 tptp -62.34 -40.36 96.12 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.91 -47.87 78.87 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 72' ' ' LEU . 14.9 mt -58.31 -52.16 66.78 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-O 119.268 -0.396 . . . . 0.0 110.787 179.041 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.51 -42.45 98.82 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 119.198 -0.43 . . . . 0.0 110.205 -178.528 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -53.56 -48.88 68.74 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 177.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -62.06 -59.23 5.38 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 178.273 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 68.2 mtm -49.96 -30.98 11.47 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.631 0.974 . . . . 0.0 113.631 178.127 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.8 t -68.86 -22.48 64.21 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 120.617 -1.302 . . . . 0.0 112.379 -179.497 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.5 ptpp? -112.46 29.09 8.21 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.242 1.017 . . . . 0.0 109.493 178.093 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 21.1 tp . . . . . 0 C--O 1.251 1.169 0 C-N-CA 126.246 1.818 . . . . 0.0 111.379 -179.425 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 80' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.124 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -169.68 153.44 5.0 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 105.752 -1.944 . . . . 0.0 105.752 -172.257 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 81.89 83.97 0.8 Allowed Glycine 0 N--CA 1.438 -1.229 1 N-CA-C 100.687 -4.965 . . . . 0.0 100.687 -174.755 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 119.29 -26.7 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 130.619 3.568 . . . . 0.0 107.901 -173.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.44 -34.41 17.51 Favored 'General case' 0 C--N 1.348 0.512 0 C-N-CA 118.937 -1.105 . . . . 0.0 109.603 -177.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.531 ' C ' HD21 ' A' ' 72' ' ' LEU . 5.2 mp -75.56 -28.03 58.84 Favored 'General case' 0 N--CA 1.44 -0.97 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.313 -177.724 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.482 ' N ' HD21 ' A' ' 72' ' ' LEU . 1.7 t80 -78.07 -11.36 59.91 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 -178.183 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -49.36 -48.93 46.37 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 119.365 0.984 . . . . 0.0 112.6 -178.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.5 m -74.96 19.24 0.15 Allowed 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 114.212 1.19 . . . . 0.0 114.212 -177.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.5 m -120.66 -35.14 3.44 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 126.418 1.887 . . . . 0.0 108.594 -177.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.9 mm -48.37 -34.17 4.98 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 C-N-CA 126.069 1.748 . . . . 0.0 109.378 176.579 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -50.35 -42.2 41.67 Favored Glycine 0 CA--C 1.534 1.249 0 C-N-CA 123.581 0.61 . . . . 0.0 112.597 178.317 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.9 m -98.22 -43.07 7.13 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 118.119 0.96 . . . . 0.0 110.908 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -80.83 -11.05 59.66 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 114.912 1.449 . . . . 0.0 114.912 -175.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.1 163.4 32.29 Favored Glycine 0 CA--C 1.528 0.878 0 CA-C-N 119.181 0.9 . . . . 0.0 111.299 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -41.55 -62.7 0.83 Allowed 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 125.37 1.468 . . . . 0.0 112.138 -178.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -88.89 27.14 1.39 Allowed 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 125.48 1.512 . . . . 0.0 111.499 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 44.35 28.08 1.36 Allowed Glycine 0 CA--C 1.534 1.263 0 C-N-CA 125.404 1.478 . . . . 0.0 115.056 179.074 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.6 p -95.91 -20.59 18.65 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 126.163 1.785 . . . . 0.0 112.867 -176.305 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 49.2 tttm -68.38 125.83 27.7 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.68 80.7 1.11 Allowed 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 106.886 -1.524 . . . . 0.0 106.886 178.399 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -33.39 126.85 0.36 Allowed 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 126.938 2.095 . . . . 0.0 114.699 -177.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 20.6 mmt 27.47 -83.35 0.0 OUTLIER 'General case' 0 C--N 1.342 0.239 0 C-N-CA 130.249 3.42 . . . . 0.0 113.299 179.402 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.23 43.79 1.81 Allowed Glycine 0 CA--C 1.531 1.054 0 CA-C-N 118.779 0.718 . . . . 0.0 111.873 179.147 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 33.1 m 52.04 56.03 8.37 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 125.442 1.497 . . . . 0.0 111.187 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.44 ' HA ' HAD1 ' A' ' 80' ' ' HEM . . . -56.74 141.34 44.49 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.7 mtmm -57.84 112.67 5.09 Favored Pre-proline 0 CA--C 1.54 0.566 0 N-CA-C 104.858 -2.275 . . . . 0.0 104.858 173.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -37.0 111.95 0.09 OUTLIER 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 124.092 3.195 . . . . 0.0 112.277 -176.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.4 m -68.29 -23.79 28.94 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 -178.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.506 ' HA ' HD23 ' A' ' 79' ' ' LEU . 46.0 tptt -49.59 105.74 0.09 Allowed 'General case' 0 CA--C 1.517 -0.321 0 CA-C-O 122.481 1.134 . . . . 0.0 112.669 175.673 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 89.18 10.66 65.84 Favored Glycine 0 N--CA 1.445 -0.749 0 CA-C-N 113.22 -1.809 . . . . 0.0 112.209 176.108 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.423 ' HB2' HD21 ' A' ' 37' ' ' LEU . 54.7 mt-30 -64.45 148.59 50.23 Favored 'General case' 0 CA--C 1.551 1.019 0 N-CA-C 104.74 -2.319 . . . . 0.0 104.74 177.051 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.42 138.46 36.2 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 120.056 -1.653 . . . . 0.0 112.599 -176.139 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.94 -45.4 41.71 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 120.298 2.049 . . . . 0.0 111.445 179.467 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -62.29 -43.08 99.64 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 178.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -59.46 -59.26 5.73 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.997 1.319 . . . . 0.0 108.032 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.423 HD21 ' HB2' ' A' ' 32' ' ' GLN . 62.0 mt -49.56 -48.42 48.57 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 127.3 2.24 . . . . 0.0 110.064 178.524 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -61.12 -54.58 42.73 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 122.773 0.429 . . . . 0.0 110.597 179.169 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -57.59 -38.15 74.41 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 121.014 0.435 . . . . 0.0 110.055 -179.158 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -68.08 -54.94 14.54 Favored 'General case' 0 N--CA 1.44 -0.956 0 C-N-CA 123.723 0.809 . . . . 0.0 110.688 -178.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 76.3 mtm -62.88 -33.85 76.17 Favored 'General case' 0 C--O 1.218 -0.562 0 CA-C-O 118.289 -0.862 . . . . 0.0 109.394 178.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 44.8 tttp -61.09 -50.76 71.94 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 106.895 -1.52 . . . . 0.0 106.895 176.463 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.72 -44.92 60.75 Favored Glycine 0 CA--C 1.531 1.082 0 C-N-CA 124.016 0.817 . . . . 0.0 111.452 178.349 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -70.86 -47.6 58.38 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 118.359 1.08 . . . . 0.0 109.34 178.099 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.21 -52.5 15.7 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 126.393 1.877 . . . . 0.0 110.202 -179.535 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.4 p30 -89.56 3.66 51.8 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.805 0.842 . . . . 0.0 112.728 -179.637 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 65.12 16.76 62.64 Favored Glycine 0 CA--C 1.532 1.144 0 C-N-CA 124.069 0.843 . . . . 0.0 114.643 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 12.6 t -79.83 -25.22 40.88 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 119.183 1.491 . . . . 0.0 109.938 179.069 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -118.67 130.91 56.11 Favored 'General case' 0 C--N 1.341 0.212 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 179.27 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 167.7 -179.07 41.31 Favored Glycine 0 N--CA 1.448 -0.532 0 CA-C-O 122.247 0.915 . . . . 0.0 113.726 176.191 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.464 ' H ' ' HB2' ' A' ' 54' ' ' LYS . . . -176.31 -169.74 38.13 Favored Glycine 0 N--CA 1.427 -1.938 1 C-N-CA 132.907 5.051 . . . . 0.0 107.706 -177.012 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -58.0 -56.43 22.14 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.969 0.908 . . . . 0.0 112.665 -178.197 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.414 HH22 ' CGD' ' A' ' 80' ' ' HEM . 16.4 mtp-105 -58.76 -48.0 82.73 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 123.037 1.399 . . . . 0.0 108.1 -179.585 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.464 ' HB2' ' H ' ' A' ' 51' ' ' GLY . 58.4 mttm -59.09 -12.63 5.18 Favored 'General case' 0 N--CA 1.439 -1.007 0 C-N-CA 128.98 2.912 . . . . 0.0 112.721 178.183 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.48 -40.47 66.9 Favored 'General case' 0 C--N 1.339 0.133 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 177.377 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 21.0 mmt -60.1 -44.9 94.5 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 106.933 -1.506 . . . . 0.0 106.933 177.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 31.3 mmm -56.72 -57.29 13.05 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.637 177.651 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 87.2 m -46.91 -47.95 21.43 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.719 0.808 . . . . 0.0 109.228 177.256 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.84 -42.84 99.54 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 118.338 0.517 . . . . 0.0 110.832 179.104 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.1 -36.83 85.54 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.371 0.668 . . . . 0.0 111.498 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 54.7 t -84.35 -31.1 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 C-N-CA 127.162 2.185 . . . . 0.0 114.46 -176.145 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.4 tptt -51.13 -32.47 22.99 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 119.595 1.089 . . . . 0.0 113.928 -176.039 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.6 ptpp? -69.94 -14.75 62.86 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -102.11 -176.49 3.13 Favored 'General case' 0 N--CA 1.441 -0.897 0 C-N-CA 125.673 1.589 . . . . 0.0 108.761 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 28.8 t -161.62 172.12 16.84 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 128.617 2.767 . . . . 0.0 105.708 -179.451 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -36.04 -44.98 0.4 Allowed 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 126.995 2.118 . . . . 0.0 115.031 -176.249 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -68.32 -44.37 75.54 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 121.765 0.793 . . . . 0.0 111.512 -178.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.6 mp0 -69.71 -41.49 75.3 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 -178.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.4 mp -54.73 -49.81 69.88 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 126.528 1.931 . . . . 0.0 109.44 175.658 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -58.94 -49.25 78.55 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 178.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.91 -45.32 90.58 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.531 HD21 ' C ' ' A' ' 6' ' ' LEU . 17.8 mt -61.57 -55.38 31.42 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-O 119.239 -0.41 . . . . 0.0 111.931 -179.692 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.93 -43.21 91.13 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-O 118.717 -0.659 . . . . 0.0 109.551 -178.125 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -53.25 -49.02 67.72 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 178.272 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -64.92 -70.67 0.22 Allowed 'General case' 0 N--CA 1.45 -0.468 0 O-C-N 123.078 0.236 . . . . 0.0 111.235 178.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.415 ' HA ' HD22 ' A' ' 79' ' ' LEU . 7.5 ttp -46.34 -36.03 5.97 Favored 'General case' 0 C--O 1.224 -0.255 0 C-N-CA 125.517 1.527 . . . . 0.0 113.069 -177.789 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.1 t -56.99 -37.76 72.09 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.122 -0.987 . . . . 0.0 109.436 178.643 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -80.74 -46.9 14.74 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 106.503 -1.666 . . . . 0.0 106.503 175.102 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.506 HD23 ' HA ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.168 0 C-N-CA 130.1 3.36 . . . . 0.0 108.871 -178.734 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' HEM . . . . . 0.44 HAD1 ' HA ' ' A' ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.639 0 CA-C-O 117.166 -1.397 . . . . 0.0 107.552 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -33.55 94.17 0.01 OUTLIER 'General case' 0 C--O 1.223 -0.319 0 C-N-CA 127.885 2.474 . . . . 0.0 113.89 -178.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -38.87 -47.38 2.41 Favored Glycine 0 C--N 1.34 0.762 0 C-N-CA 126.331 1.919 . . . . 0.0 112.908 -178.41 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.63 -28.16 20.19 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 -179.112 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -87.41 -27.52 22.7 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 119.607 1.094 . . . . 0.0 109.592 -179.529 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.5 mp -75.46 -45.96 35.47 Favored 'General case' 0 N--CA 1.437 -1.115 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.411 ' N ' HD21 ' A' ' 72' ' ' LEU . 1.8 t80 -60.23 -15.2 22.41 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.586 0.958 . . . . 0.0 113.586 -177.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.1 mmtp -53.52 -38.26 63.57 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 121.225 -0.922 . . . . 0.0 110.747 177.25 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.6 p -67.32 -13.1 61.69 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.3 m -104.55 -38.76 6.64 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 126.995 2.118 . . . . 0.0 110.758 -174.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -44.72 -31.74 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 C-N-CA 125.966 1.706 . . . . 0.0 111.898 179.456 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -58.69 -44.49 95.68 Favored Glycine 0 CA--C 1.535 1.3 0 CA-C-N 118.375 0.534 . . . . 0.0 111.897 177.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.8 t -86.07 -39.14 17.08 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 117.958 0.879 . . . . 0.0 110.407 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.545 ' CE1' HG21 ' A' ' 29' ' ' VAL . 85.1 m-70 -74.64 -22.58 58.83 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 113.95 1.093 . . . . 0.0 113.95 -177.559 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.04 78.68 0.67 Allowed Glycine 0 N--CA 1.451 -0.359 0 O-C-N 121.404 -0.81 . . . . 0.0 113.114 178.016 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 45.99 -92.83 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.732 1.613 . . . . 0.0 112.381 176.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.5 p-10 -83.14 47.71 1.27 Allowed 'General case' 0 N--CA 1.434 -1.242 0 C-N-CA 127.202 2.201 . . . . 0.0 110.194 -179.151 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 32.05 40.11 0.07 OUTLIER Glycine 0 CA--C 1.523 0.544 0 C-N-CA 127.937 2.684 . . . . 0.0 115.271 178.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 62.1 m -97.63 -24.25 15.61 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.6 0.76 . . . . 0.0 112.719 -177.084 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -76.08 128.17 34.45 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 107.401 -1.333 . . . . 0.0 107.401 178.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.46 85.19 0.6 Allowed 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 106.329 -1.73 . . . . 0.0 106.329 178.447 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -41.76 132.36 2.99 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 126.479 1.912 . . . . 0.0 114.713 -176.293 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 49.9 tpp 27.83 -65.45 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.408 1 C-N-CA 132.519 4.328 . . . . 0.0 116.965 178.628 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.74 -29.86 69.01 Favored Glycine 0 CA--C 1.521 0.466 0 O-C-N 121.364 -0.835 . . . . 0.0 112.328 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 71.0 m 117.14 56.83 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 131.007 3.723 . . . . 0.0 103.503 -176.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.48 137.91 41.58 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 -176.419 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.465 ' H ' ' CD ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -58.98 113.62 7.23 Favored Pre-proline 0 N--CA 1.445 -0.683 0 N-CA-C 102.089 -3.3 . . . . 0.0 102.089 173.611 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_exo -26.52 107.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 125.042 3.828 . . . . 0.0 112.921 -176.217 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.545 HG21 ' CE1' ' A' ' 14' ' ' HIS . 90.4 t -61.12 -33.85 57.81 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 N-CA-C 106.351 -1.722 . . . . 0.0 106.351 -179.149 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -60.45 106.45 0.54 Allowed 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 121.989 0.9 . . . . 0.0 109.735 175.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 114.55 -10.25 21.75 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 113.472 -1.694 . . . . 0.0 111.671 177.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -63.71 144.24 57.19 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 105.954 -1.869 . . . . 0.0 105.954 177.556 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -42.84 -97.88 0.01 OUTLIER Glycine 0 CA--C 1.539 1.588 0 N-CA-C 118.711 2.244 . . . . 0.0 118.711 -173.204 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.425 ' HA ' HD12 ' A' ' 37' ' ' LEU . . . 178.86 -59.51 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 128.894 2.878 . . . . 0.0 104.337 179.383 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -57.65 -42.53 83.64 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 106.283 -1.747 . . . . 0.0 106.283 175.168 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 66.9 tt0 -55.68 -68.05 0.23 Allowed 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 176.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.425 HD12 ' HA ' ' A' ' 34' ' ' ALA . 4.5 mt -46.02 -42.76 13.67 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 124.026 0.93 . . . . 0.0 112.257 -179.063 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -70.91 -45.16 64.75 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 123.601 0.76 . . . . 0.0 111.537 -178.355 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -64.82 -39.13 93.08 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 -179.06 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.8 mmmm -67.6 -48.31 67.18 Favored 'General case' 0 N--CA 1.437 -1.093 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 -179.205 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 50.6 mtm -62.39 -40.45 96.53 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-O 118.156 -0.926 . . . . 0.0 109.923 177.261 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -58.93 -43.84 91.24 Favored 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 107.748 -1.205 . . . . 0.0 107.748 178.21 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -54.36 -49.64 59.54 Favored Glycine 0 CA--C 1.532 1.127 0 N-CA-C 110.571 -1.012 . . . . 0.0 110.571 177.24 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -66.39 -50.91 61.88 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 118.287 1.043 . . . . 0.0 109.652 178.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.71 -53.46 7.28 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 127.747 2.419 . . . . 0.0 110.583 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -87.34 6.77 31.94 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.416 1.086 . . . . 0.0 112.652 -177.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.76 30.65 63.06 Favored Glycine 0 CA--C 1.531 1.044 0 CA-C-N 119.042 0.837 . . . . 0.0 112.575 -179.435 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.9 t -99.13 -14.12 19.5 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.501 1.12 . . . . 0.0 111.22 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -135.41 129.64 33.61 Favored 'General case' 0 CA--C 1.519 -0.218 0 N-CA-C 106.291 -1.744 . . . . 0.0 106.291 179.028 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 167.94 -176.93 42.41 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-O 122.288 0.938 . . . . 0.0 113.46 176.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.417 ' H ' ' HB2' ' A' ' 54' ' ' LYS . . . -174.7 -168.35 35.29 Favored Glycine 0 N--CA 1.426 -2.02 1 C-N-CA 132.325 4.774 . . . . 0.0 107.882 -177.116 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -57.57 -58.83 6.6 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 124.269 1.028 . . . . 0.0 112.824 -178.429 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -61.13 -47.28 86.96 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 122.736 1.255 . . . . 0.0 107.813 -177.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.417 ' HB2' ' H ' ' A' ' 51' ' ' GLY . 60.7 mttp -56.56 -12.73 1.9 Allowed 'General case' 0 N--CA 1.436 -1.128 0 C-N-CA 129.879 3.272 . . . . 0.0 111.798 176.539 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.13 -38.59 60.99 Favored 'General case' 0 C--N 1.342 0.282 0 O-C-N 120.799 -1.188 . . . . 0.0 107.902 177.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 59.8 mtt -60.98 -43.76 98.35 Favored 'General case' 0 C--N 1.341 0.219 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 177.398 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.3 mmm -55.13 -61.79 2.09 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 114.759 -1.109 . . . . 0.0 109.047 177.293 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 91.2 m -46.15 -50.07 16.0 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.181 0.992 . . . . 0.0 110.141 177.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -56.87 -40.21 75.76 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 122.968 0.507 . . . . 0.0 111.233 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.24 -58.16 3.81 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 122.102 0.953 . . . . 0.0 108.971 178.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 61.1 t -48.87 -41.98 13.45 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 C-N-CA 127.072 2.149 . . . . 0.0 113.29 -177.265 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.2 pttp -55.65 -22.94 25.28 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 120.075 1.307 . . . . 0.0 113.202 -179.063 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 41.4 tttm -65.11 -28.15 69.24 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 118.893 0.769 . . . . 0.0 111.604 178.318 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -100.15 144.77 28.78 Favored 'General case' 0 N--CA 1.432 -1.35 0 C-N-CA 126.763 2.025 . . . . 0.0 110.357 -175.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 89.3 p -97.63 165.29 12.04 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 127.815 2.446 . . . . 0.0 109.09 179.165 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -40.92 -50.33 3.25 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.46 1.104 . . . . 0.0 113.278 -179.153 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -59.43 -51.33 70.35 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 121.378 0.609 . . . . 0.0 110.204 -179.523 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -60.28 -44.6 95.2 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 123.097 0.559 . . . . 0.0 110.245 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 49.0 mt -58.97 -48.2 82.38 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.778 0.831 . . . . 0.0 109.641 178.487 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 46.6 tptt -61.94 -40.62 96.15 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.04 -42.8 89.08 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 72' ' ' LEU . 12.1 mt -57.93 -58.91 6.32 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 177.818 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -50.7 -49.67 56.9 Favored 'General case' 0 CA--C 1.531 0.229 0 O-C-N 123.405 0.441 . . . . 0.0 110.41 -178.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -51.96 -44.23 63.88 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 176.435 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -66.16 -54.73 21.87 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 118.402 -0.809 . . . . 0.0 109.193 177.369 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.6 mpp? -51.65 -27.38 11.32 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 120.243 1.383 . . . . 0.0 112.831 177.35 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.6 t -56.58 -28.42 60.22 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 120.462 -1.399 . . . . 0.0 110.078 176.461 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 41.4 mttp -107.04 40.62 1.62 Allowed 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 127.559 2.344 . . . . 0.0 109.348 179.154 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.0 tp . . . . . 0 C--O 1.25 1.108 0 C-N-CA 125.4 1.48 . . . . 0.0 109.905 179.215 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 80' ' ' HEM . . . . . 0.592 HBC2 HMC2 ' A' ' 80' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.758 0 CA-C-O 116.731 -1.604 . . . . 0.0 107.213 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -32.5 95.66 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 127.15 2.18 . . . . 0.0 113.369 -178.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -49.42 -46.29 36.43 Favored Glycine 0 CA--C 1.525 0.685 0 C-N-CA 123.991 0.805 . . . . 0.0 111.557 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.6 -35.2 40.54 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.069 0.948 . . . . 0.0 112.123 179.029 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.93 -19.02 35.41 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 118.847 -0.596 . . . . 0.0 111.059 -177.509 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.461 ' CB ' HD13 ' A' ' 72' ' ' LEU . 12.7 mt -90.78 -27.88 18.6 Favored 'General case' 0 N--CA 1.434 -1.24 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 -178.529 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.414 ' CE1' ' SD ' ' A' ' 76' ' ' MET . 0.8 OUTLIER -73.52 -13.96 61.13 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 114.241 1.2 . . . . 0.0 114.241 178.916 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -52.11 -45.49 64.92 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 120.996 -1.065 . . . . 0.0 112.796 -178.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 p -64.18 -19.63 65.46 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.087 0.955 . . . . 0.0 112.533 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.7 m -91.7 -40.87 11.02 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 126.635 1.974 . . . . 0.0 109.42 -176.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -46.38 -32.55 1.65 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 C-N-CA 125.508 1.523 . . . . 0.0 110.909 179.642 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -51.06 -45.19 51.39 Favored Glycine 0 CA--C 1.534 1.251 0 N-CA-C 111.89 -0.484 . . . . 0.0 111.89 177.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 13.7 m -91.3 -42.34 10.43 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 117.846 0.823 . . . . 0.0 110.182 179.12 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 61.4 m-70 -70.77 -15.45 62.67 Favored 'General case' 0 N--CA 1.432 -1.374 0 C-N-CA 126.369 1.867 . . . . 0.0 115.347 -175.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 65.18 107.64 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 N-CA-C 116.933 1.533 . . . . 0.0 116.933 175.021 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 56.76 -67.29 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 128.486 2.714 . . . . 0.0 114.28 176.204 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -151.58 75.82 1.18 Allowed 'General case' 0 N--CA 1.433 -1.324 0 C-N-CA 127.488 2.315 . . . . 0.0 106.749 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 42.33 30.34 0.8 Allowed Glycine 0 C--N 1.337 0.611 0 C-N-CA 126.315 1.912 . . . . 0.0 115.981 178.151 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 93.9 p -86.33 -35.32 19.92 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.654 0.782 . . . . 0.0 112.755 -177.449 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 47.6 tttm -79.11 137.34 37.45 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 121.612 0.72 . . . . 0.0 110.059 -178.219 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.45 85.24 1.12 Allowed 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 106.621 -1.622 . . . . 0.0 106.621 177.168 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -42.28 134.37 2.91 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 115.261 1.578 . . . . 0.0 115.261 -176.279 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 10.6 tpt 24.55 -80.89 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 131.042 3.737 . . . . 0.0 115.323 178.488 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.04 -35.06 53.35 Favored Glycine 0 CA--C 1.528 0.845 0 CA-C-O 119.866 -0.408 . . . . 0.0 112.161 -179.249 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 74.2 m 122.3 57.45 0.0 OUTLIER 'General case' 0 CA--C 1.527 0.066 0 C-N-CA 131.611 3.964 . . . . 0.0 106.095 -179.021 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.97 140.68 48.03 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 113.931 1.085 . . . . 0.0 113.931 -177.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.5 pttp -64.0 113.63 10.85 Favored Pre-proline 0 CA--C 1.541 0.603 0 N-CA-C 101.069 -3.678 . . . . 0.0 101.069 170.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_exo -30.84 122.05 0.07 OUTLIER 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 124.49 3.46 . . . . 0.0 113.054 -174.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.4 m -62.33 -28.46 44.65 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 N-CA-C 106.337 -1.727 . . . . 0.0 106.337 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.434 ' HA ' ' HB3' ' A' ' 79' ' ' LEU . 34.4 tttp -57.76 108.64 0.59 Allowed 'General case' 0 N--CA 1.446 -0.657 0 CA-C-O 121.526 0.679 . . . . 0.0 109.899 172.559 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 118.58 -24.87 8.34 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 114.096 -1.411 . . . . 0.0 109.787 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -67.27 144.63 55.82 Favored 'General case' 0 N--CA 1.439 -1.023 0 N-CA-C 106.523 -1.658 . . . . 0.0 106.523 177.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -85.69 151.38 25.16 Favored Glycine 0 N--CA 1.469 0.865 0 CA-C-O 119.178 -0.79 . . . . 0.0 113.375 -176.123 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -46.26 -52.03 13.34 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-N 119.385 1.593 . . . . 0.0 111.44 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -55.67 -47.11 77.27 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -57.42 -61.53 2.42 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 124.567 1.147 . . . . 0.0 109.144 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.6 mt -53.5 -42.21 67.08 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 124.884 1.274 . . . . 0.0 111.59 -179.083 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -70.42 -43.52 69.77 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 124.26 1.024 . . . . 0.0 110.627 -178.072 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 66.5 tttm -64.68 -41.7 95.87 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 -179.345 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -69.89 -45.54 67.4 Favored 'General case' 0 N--CA 1.439 -1.007 0 C-N-CA 122.943 0.497 . . . . 0.0 110.34 -178.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 53.9 mtm -63.84 -42.58 97.57 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-O 118.021 -0.99 . . . . 0.0 109.579 178.195 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -56.97 -47.55 80.47 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 106.46 -1.681 . . . . 0.0 106.46 176.401 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -51.3 -41.83 48.47 Favored Glycine 0 CA--C 1.531 1.036 0 C-N-CA 124.045 0.831 . . . . 0.0 111.433 177.128 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -77.79 -38.93 45.58 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 119.494 1.647 . . . . 0.0 110.297 177.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.92 -49.63 62.7 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.241 1.416 . . . . 0.0 108.224 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -83.73 -29.12 27.76 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.76 0.824 . . . . 0.0 110.991 178.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.09 18.56 28.8 Favored Glycine 0 CA--C 1.531 1.071 0 C-N-CA 124.632 1.11 . . . . 0.0 114.001 177.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 21.9 t -90.61 -18.19 25.59 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 118.317 1.059 . . . . 0.0 112.084 179.267 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -102.54 158.17 16.41 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 119.622 1.101 . . . . 0.0 109.652 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -130.08 -173.12 13.3 Favored Glycine 0 C--N 1.339 0.702 0 C-N-CA 123.866 0.746 . . . . 0.0 113.922 -178.125 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 160.57 174.6 30.59 Favored Glycine 0 N--CA 1.427 -1.928 0 C-N-CA 128.41 2.91 . . . . 0.0 108.656 -177.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 -47.27 -45.52 24.0 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 126.902 2.081 . . . . 0.0 111.71 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 83.3 mmt-85 -124.14 39.15 4.04 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 123.632 0.773 . . . . 0.0 110.255 -178.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -49.98 -37.8 34.03 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.632 0.773 . . . . 0.0 112.793 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.77 -53.58 48.67 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 123.167 0.587 . . . . 0.0 109.824 -179.417 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.615 ' HG2' HBC2 ' A' ' 80' ' ' HEM . 15.2 tpt -56.76 -45.75 81.87 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.12 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 18.3 mmm -56.98 -51.68 68.25 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 124.091 0.956 . . . . 0.0 110.657 179.018 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 75.1 m -55.38 -49.41 72.38 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 178.356 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -56.61 -34.66 67.44 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 122.554 0.341 . . . . 0.0 110.364 177.58 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.45 -45.79 61.69 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 122.996 0.518 . . . . 0.0 111.573 -179.496 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.5 m -92.07 -16.22 7.97 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-O 117.714 -1.136 . . . . 0.0 113.934 -175.036 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -50.8 -33.31 22.91 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 121.035 1.743 . . . . 0.0 113.154 -176.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.4 pttp -74.94 -2.63 27.94 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.416 0.687 . . . . 0.0 112.762 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 19.2 m-30 -112.6 139.81 47.88 Favored 'General case' 0 N--CA 1.438 -1.064 0 C-N-CA 125.896 1.678 . . . . 0.0 107.097 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 80.3 p -100.58 166.37 10.94 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 127.405 2.282 . . . . 0.0 109.696 -179.306 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -39.27 -49.13 1.91 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.69 1.196 . . . . 0.0 114.072 -178.501 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -61.0 -49.66 76.54 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 121.473 0.654 . . . . 0.0 110.317 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -59.68 -51.89 67.87 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 55.5 mt -54.53 -51.09 66.26 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 124.952 1.301 . . . . 0.0 111.382 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.8 ttpm? -56.13 -47.63 77.78 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.66 -41.04 92.99 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.431 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.473 HD21 HMB3 ' A' ' 80' ' ' HEM . 12.9 tp -58.4 -48.33 80.98 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 123.753 0.821 . . . . 0.0 109.278 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.04 -45.24 89.74 Favored 'General case' 0 CA--C 1.518 -0.267 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 179.5 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -52.84 -48.2 67.18 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 178.406 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -59.56 -56.81 17.22 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 178.079 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.414 ' SD ' ' CE1' ' A' ' 7' ' ' TYR . 41.6 mtm -51.08 -39.9 57.13 Favored 'General case' 0 C--O 1.222 -0.384 0 C-N-CA 120.416 -0.513 . . . . 0.0 111.611 179.334 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.8 t -61.23 -9.38 4.85 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 117.91 -1.043 . . . . 0.0 113.18 -179.386 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 24.1 ttpp -78.23 -23.49 47.39 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 119.642 1.11 . . . . 0.0 108.675 175.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.434 ' HB3' ' HA ' ' A' ' 30' ' ' LYS . 1.7 mp . . . . . 0 C--O 1.251 1.164 0 CA-C-O 116.956 -1.497 . . . . 0.0 110.381 178.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' HEM . . . . . 0.615 HBC2 ' HG2' ' A' ' 56' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.947 0 N-CA-C 106.208 -1.775 . . . . 0.0 106.208 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -171.27 153.42 3.63 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 105.984 -1.858 . . . . 0.0 105.984 -171.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 78.31 83.02 0.61 Allowed Glycine 0 N--CA 1.442 -0.929 1 N-CA-C 101.178 -4.769 . . . . 0.0 101.178 -174.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 106.84 -35.17 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 129.645 3.178 . . . . 0.0 106.421 -172.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -86.8 -9.84 54.91 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 118.755 -1.178 . . . . 0.0 111.213 -178.126 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 21.2 mt -92.48 -35.8 13.43 Favored 'General case' 0 N--CA 1.441 -0.908 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 177.047 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.544 ' CD1' HD22 ' A' ' 72' ' ' LEU . 0.7 OUTLIER -73.62 -8.55 56.42 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 116.788 2.144 . . . . 0.0 116.788 -177.404 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.49 -41.27 9.4 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 119.789 1.177 . . . . 0.0 113.348 -178.091 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.43 -43.36 81.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 122.229 1.014 . . . . 0.0 112.294 179.394 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 7.0 m -63.66 -36.08 82.65 Favored 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 127.115 2.166 . . . . 0.0 108.879 -176.075 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -51.37 -26.77 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.812 0 CA-C-N 114.051 -1.432 . . . . 0.0 110.277 177.125 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -55.0 -43.35 82.92 Favored Glycine 0 CA--C 1.532 1.121 0 CA-C-N 118.65 0.659 . . . . 0.0 111.82 177.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.6 m -93.97 -42.27 9.14 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 117.977 0.889 . . . . 0.0 109.976 179.409 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.408 ' HB3' ' HA2' ' A' ' 18' ' ' GLY . 93.7 m-70 -71.49 -22.34 61.81 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 113.909 1.078 . . . . 0.0 113.909 -176.256 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.26 100.56 0.25 Allowed Glycine 0 CA--C 1.526 0.725 0 N-CA-C 116.04 1.176 . . . . 0.0 116.04 175.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 39.41 -77.06 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 128.767 2.827 . . . . 0.0 115.382 176.365 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -95.98 23.29 6.53 Favored 'General case' 0 N--CA 1.441 -0.884 0 C-N-CA 126.851 2.06 . . . . 0.0 110.615 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.408 ' HA2' ' HB3' ' A' ' 14' ' ' HIS . . . 52.76 40.28 56.31 Favored Glycine 0 CA--C 1.53 1.0 0 C-N-CA 125.578 1.561 . . . . 0.0 112.888 179.629 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.1 p -96.4 -27.09 15.09 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.805 1.242 . . . . 0.0 113.479 -177.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -75.2 138.04 41.69 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 121.836 0.826 . . . . 0.0 110.775 -176.652 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.09 82.33 0.97 Allowed 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 106.992 -1.484 . . . . 0.0 106.992 178.126 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -36.3 124.96 0.79 Allowed 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 125.773 1.629 . . . . 0.0 114.743 -176.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 26.5 mmt 22.63 -75.16 0.0 OUTLIER 'General case' 0 C--N 1.343 0.29 1 C-N-CA 132.014 4.125 . . . . 0.0 115.634 177.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -52.63 -29.72 33.17 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.632 -0.587 . . . . 0.0 111.632 179.311 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 25.8 m 111.6 62.72 0.0 OUTLIER 'General case' 0 C--O 1.232 0.139 1 C-N-CA 131.747 4.019 . . . . 0.0 106.006 -179.592 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.79 151.37 47.61 Favored 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 114.949 1.462 . . . . 0.0 114.949 -178.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.2 pttm -68.13 116.04 34.97 Favored Pre-proline 0 N--CA 1.447 -0.579 0 N-CA-C 102.371 -3.196 . . . . 0.0 102.371 170.631 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_exo -38.28 121.67 0.52 Allowed 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 123.514 2.809 . . . . 0.0 112.583 -177.201 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.4 m -65.47 -25.96 38.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 C-N-CA 119.185 -1.006 . . . . 0.0 108.328 -179.375 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.586 ' HA ' HD23 ' A' ' 79' ' ' LEU . 54.3 tttp -58.23 102.25 0.1 Allowed 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 122.08 0.943 . . . . 0.0 110.713 174.528 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 113.62 -10.48 23.66 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 113.413 -1.721 . . . . 0.0 112.113 178.014 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -65.53 147.34 53.57 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 106.908 -1.515 . . . . 0.0 106.908 178.351 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -79.27 143.01 25.67 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 120.966 -1.084 . . . . 0.0 114.54 -175.188 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.17 -48.66 34.35 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 119.532 1.666 . . . . 0.0 112.179 -179.272 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -59.71 -42.87 94.01 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 120.949 0.404 . . . . 0.0 109.922 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -61.41 -61.26 2.67 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 124.487 1.115 . . . . 0.0 108.448 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 38.2 mt -48.63 -48.32 39.54 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 127.001 2.12 . . . . 0.0 110.249 179.497 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -66.6 -52.42 45.48 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 123.011 0.525 . . . . 0.0 111.78 -179.321 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.2 ttpm? -58.0 -39.62 78.72 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 121.512 0.672 . . . . 0.0 109.759 -178.406 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -70.42 -50.47 38.09 Favored 'General case' 0 N--CA 1.438 -1.075 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.608 -178.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 59.8 mtm -62.19 -33.96 75.55 Favored 'General case' 0 C--O 1.22 -0.484 0 CA-C-O 118.586 -0.721 . . . . 0.0 109.931 178.494 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.7 tptt -63.53 -46.37 86.33 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 106.668 -1.604 . . . . 0.0 106.668 177.108 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -54.33 -52.96 40.89 Favored Glycine 0 CA--C 1.528 0.865 0 N-CA-C 110.431 -1.068 . . . . 0.0 110.431 176.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.0 m-30 -60.63 -44.59 96.18 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.254 1.027 . . . . 0.0 110.162 178.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.52 -45.27 66.19 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.196 0.998 . . . . 0.0 108.641 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -87.17 1.03 54.33 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.216 1.006 . . . . 0.0 112.719 -178.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.6 31.16 66.57 Favored Glycine 0 CA--C 1.534 1.27 0 CA-C-N 119.263 0.938 . . . . 0.0 111.698 -177.6 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.0 t -112.07 26.67 10.36 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.737 1.615 . . . . 0.0 111.613 -178.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -161.59 134.83 6.33 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 104.718 -2.327 . . . . 0.0 104.718 179.249 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 161.06 -176.33 37.65 Favored Glycine 0 C--N 1.336 0.533 0 CA-C-O 122.74 1.189 . . . . 0.0 115.365 177.114 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.452 ' H ' ' HB2' ' A' ' 54' ' ' LYS . . . -177.96 -171.79 41.73 Favored Glycine 0 N--CA 1.426 -1.992 1 C-N-CA 135.291 6.186 . . . . 0.0 105.9 -177.093 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -54.15 -60.4 3.38 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 123.769 0.827 . . . . 0.0 112.161 -178.402 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.417 HH11 ' CGD' ' A' ' 80' ' ' HEM . 1.1 ptp180 -55.49 -42.32 74.23 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.847 0.832 . . . . 0.0 110.326 -178.772 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.452 ' HB2' ' H ' ' A' ' 51' ' ' GLY . 65.3 mttm -71.81 -7.76 50.22 Favored 'General case' 0 N--CA 1.434 -1.259 0 C-N-CA 128.075 2.55 . . . . 0.0 113.615 -179.374 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.78 -49.47 38.6 Favored 'General case' 0 C--O 1.232 0.146 0 O-C-N 121.249 -0.907 . . . . 0.0 109.298 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 72.0 mtm -55.1 -49.83 70.73 Favored 'General case' 0 CA--C 1.529 0.139 0 N-CA-C 107.105 -1.443 . . . . 0.0 107.105 177.639 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.423 ' HB2' ' HA ' ' A' ' 54' ' ' LYS . 25.2 mmm -51.58 -54.67 25.19 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 125.562 1.545 . . . . 0.0 110.7 177.548 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 30.2 m -50.62 -53.58 29.65 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 123.266 0.626 . . . . 0.0 109.599 178.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.96 -34.72 73.64 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.691 -0.231 . . . . 0.0 110.636 179.445 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.13 -52.11 21.17 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 113.783 1.031 . . . . 0.0 113.783 -178.13 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.2 m -76.53 -27.58 17.29 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 C-N-CA 119.181 -1.008 . . . . 0.0 113.004 -172.274 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.79 -12.41 4.31 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 114.171 1.175 . . . . 0.0 114.171 -176.325 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.5 pttp -71.35 -21.18 62.07 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 119.298 0.954 . . . . 0.0 109.934 176.205 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -85.75 -167.51 1.88 Allowed 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 125.393 1.477 . . . . 0.0 108.288 177.515 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.2 m -159.27 158.08 31.82 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 127.366 2.266 . . . . 0.0 106.889 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -29.65 -48.25 0.08 Allowed 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 126.854 2.062 . . . . 0.0 115.58 -176.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -64.24 -51.35 64.07 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 119.161 0.891 . . . . 0.0 110.481 -179.402 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 28.2 mp0 -63.09 -42.33 99.59 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 179.504 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.4 mt -60.85 -43.04 98.85 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 178.546 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.8 ttpm? -63.02 -45.17 93.58 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 178.038 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.45 -46.94 85.56 Favored 'General case' 0 CA--C 1.529 0.155 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 178.631 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.544 HD22 ' CD1' ' A' ' 7' ' ' TYR . 12.5 mt -59.0 -52.62 64.98 Favored 'General case' 0 N--CA 1.447 -0.594 0 O-C-N 121.981 -0.449 . . . . 0.0 110.825 178.55 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.54 -40.62 87.81 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 -178.114 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -57.27 -48.66 78.31 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 177.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -57.94 -59.38 5.34 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 178.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.453 ' SD ' HMA3 ' A' ' 80' ' ' HEM . 67.3 mtm -54.72 -33.96 61.78 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 179.312 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.7 t -77.5 -4.17 44.22 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 121.17 -0.956 . . . . 0.0 111.901 178.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -128.05 28.45 5.54 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.557 1.943 . . . . 0.0 107.112 179.276 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.586 HD23 ' HA ' ' A' ' 30' ' ' LYS . 12.0 tp . . . . . 0 C--O 1.25 1.117 0 C-N-CA 126.47 1.908 . . . . 0.0 111.441 -178.189 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' HEM . . . . . 0.453 HMA3 ' SD ' ' A' ' 76' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.756 0 CA-C-O 117.595 -1.193 . . . . 0.0 107.827 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -54.52 130.63 40.51 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 124.55 1.14 . . . . 0.0 111.672 -178.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -53.79 -60.26 8.59 Favored Glycine 0 C--N 1.337 0.622 0 N-CA-C 110.759 -0.936 . . . . 0.0 110.759 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -47.91 -43.49 28.88 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 117.18 0.49 . . . . 0.0 111.518 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.33 -42.49 98.98 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 119.401 -0.333 . . . . 0.0 111.447 -179.357 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 38.9 mt -69.45 -43.07 74.02 Favored 'General case' 0 N--CA 1.438 -1.047 0 CA-C-N 118.906 0.775 . . . . 0.0 108.919 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.411 ' N ' HD21 ' A' ' 72' ' ' LEU . 1.8 t80 -64.62 -15.23 60.86 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 114.505 1.298 . . . . 0.0 114.505 -178.332 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -47.08 -42.45 18.84 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 119.823 1.192 . . . . 0.0 109.991 177.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -66.55 7.43 0.34 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 127.542 2.337 . . . . 0.0 114.036 179.429 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.0 m -131.88 -35.17 1.26 Allowed 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 126.368 1.867 . . . . 0.0 110.615 -173.486 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.5 mm -43.05 -35.85 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 C-N-CA 125.605 1.562 . . . . 0.0 110.478 177.187 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -51.95 -44.35 55.99 Favored Glycine 0 CA--C 1.536 1.369 0 CA-C-N 118.335 0.516 . . . . 0.0 112.669 178.164 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.2 m -89.37 -44.61 10.07 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 118.097 0.948 . . . . 0.0 111.164 -179.478 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 52.8 m-70 -78.65 -34.58 46.28 Favored 'General case' 0 N--CA 1.435 -1.212 0 N-CA-C 116.924 2.194 . . . . 0.0 116.924 -174.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 97.79 155.05 29.75 Favored Glycine 0 CA--C 1.531 1.053 0 N-CA-C 107.225 -2.35 . . . . 0.0 107.225 -175.206 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.83 -43.39 59.09 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 118.658 1.229 . . . . 0.0 110.977 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 57.7 p30 -88.38 8.38 27.97 Favored 'General case' 0 N--CA 1.436 -1.139 0 C-N-CA 129.29 3.036 . . . . 0.0 112.719 -179.535 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.519 ' HA3' HD21 ' A' ' 79' ' ' LEU . . . 43.33 31.07 1.39 Allowed Glycine 0 CA--C 1.527 0.819 0 C-N-CA 126.044 1.783 . . . . 0.0 113.495 -177.476 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.1 m -94.35 -18.28 21.75 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 123.332 0.653 . . . . 0.0 111.075 -178.464 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -70.45 123.2 21.2 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 178.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.53 85.34 0.62 Allowed 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 106.218 -1.771 . . . . 0.0 106.218 177.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.13 141.75 7.78 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 115.458 1.651 . . . . 0.0 115.458 -175.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 15.2 tpt 31.13 -84.81 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 130.249 3.42 . . . . 0.0 114.672 178.008 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.32 -33.16 64.96 Favored Glycine 0 CA--C 1.525 0.672 0 C-N-CA 123.322 0.487 . . . . 0.0 112.882 -178.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 67.8 m 119.9 60.36 0.0 OUTLIER 'General case' 0 N--CA 1.457 -0.098 0 C-N-CA 131.367 3.867 . . . . 0.0 104.086 -177.448 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.39 143.4 19.14 Favored 'General case' 0 N--CA 1.439 -1.022 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 -176.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -60.55 113.2 6.95 Favored Pre-proline 0 N--CA 1.448 -0.561 0 N-CA-C 101.433 -3.543 . . . . 0.0 101.433 172.051 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -34.95 121.06 0.16 Allowed 'Trans proline' 0 N--CA 1.454 -0.816 0 C-N-CA 123.419 2.746 . . . . 0.0 111.818 -175.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.0 t -61.7 -40.94 88.54 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 N-CA-C 105.032 -2.21 . . . . 0.0 105.032 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -49.42 115.79 1.48 Allowed 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 124.516 1.126 . . . . 0.0 109.058 173.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 105.74 -15.41 45.03 Favored Glycine 0 N--CA 1.443 -0.866 0 C-N-CA 124.83 1.205 . . . . 0.0 111.086 177.173 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -69.92 143.42 52.73 Favored 'General case' 0 N--CA 1.435 -1.224 0 CA-C-N 118.734 1.267 . . . . 0.0 108.026 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -86.2 148.42 22.23 Favored Glycine 0 N--CA 1.471 1.008 0 O-C-N 121.262 -0.899 . . . . 0.0 113.595 -176.254 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -46.92 -48.41 21.34 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 119.697 1.749 . . . . 0.0 112.211 -178.485 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -59.29 -47.74 84.26 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -56.91 -60.54 3.43 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 125.2 1.4 . . . . 0.0 109.157 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 35.0 mt -50.8 -49.3 58.8 Favored 'General case' 0 N--CA 1.441 -0.898 0 C-N-CA 126.789 2.036 . . . . 0.0 109.83 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -65.74 -48.25 72.55 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 119.042 -0.504 . . . . 0.0 110.95 -178.187 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -60.88 -40.2 92.11 Favored 'General case' 0 N--CA 1.426 -1.64 0 CA-C-N 119.492 1.042 . . . . 0.0 110.486 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -70.66 -48.31 55.5 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-O 121.144 0.497 . . . . 0.0 110.922 -178.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -64.71 -38.04 89.64 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -65.4 -41.84 93.24 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 106.701 -1.592 . . . . 0.0 106.701 176.055 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.17 -49.34 50.46 Favored Glycine 0 CA--C 1.529 0.926 0 N-CA-C 108.842 -1.703 . . . . 0.0 108.842 176.06 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -66.61 -47.12 73.66 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 118.328 1.064 . . . . 0.0 109.883 178.444 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -48.62 -46.91 40.35 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.557 1.143 . . . . 0.0 110.693 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -93.1 8.1 41.45 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.784 1.234 . . . . 0.0 112.661 -178.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 52.16 36.32 44.06 Favored Glycine 0 CA--C 1.533 1.195 0 C-N-CA 124.126 0.87 . . . . 0.0 113.22 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.4 t -111.43 18.8 18.83 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.472 1.509 . . . . 0.0 112.005 -178.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -160.83 139.08 9.8 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 105.611 -1.996 . . . . 0.0 105.611 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 161.49 -173.36 37.88 Favored Glycine 0 N--CA 1.447 -0.597 0 CA-C-O 122.688 1.16 . . . . 0.0 114.318 177.302 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.531 ' H ' ' HB2' ' A' ' 54' ' ' LYS . . . -170.39 -174.32 38.36 Favored Glycine 0 N--CA 1.423 -2.207 1 C-N-CA 134.695 5.902 . . . . 0.0 105.674 -178.515 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -48.64 -60.09 3.0 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 124.237 1.015 . . . . 0.0 111.606 -178.199 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.65 -41.6 95.28 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-O 120.808 0.337 . . . . 0.0 111.235 -177.187 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.531 ' HB2' ' H ' ' A' ' 51' ' ' GLY . 0.5 OUTLIER -58.41 -15.29 10.13 Favored 'General case' 0 N--CA 1.444 -0.743 0 N-CA-C 113.253 0.835 . . . . 0.0 113.253 -179.146 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.4 -41.53 98.74 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 121.009 -1.057 . . . . 0.0 108.226 175.341 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 85.2 mtp -61.98 -45.93 91.48 Favored 'General case' 0 C--N 1.34 0.187 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 178.583 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.436 ' HE1' ' C1B' ' A' ' 80' ' ' HEM . 28.4 mmm -55.13 -53.23 58.56 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.153 178.142 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 89.3 m -51.04 -52.38 43.75 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 178.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -57.4 -34.34 68.78 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.027 178.225 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.29 -47.64 48.47 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.3 m -86.57 -21.72 7.33 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 -173.077 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 25.8 pttm -47.39 -29.84 2.89 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 120.016 1.28 . . . . 0.0 114.416 -176.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.7 pttm -68.76 -18.01 64.14 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -179.232 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -83.48 -168.52 2.14 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-O 123.789 1.756 . . . . 0.0 110.8 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 58.7 m -153.16 163.57 39.64 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 128.566 2.747 . . . . 0.0 107.897 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -36.04 -50.28 0.69 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.88 1.672 . . . . 0.0 113.767 -178.376 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.78 -53.87 52.08 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -178.778 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -56.62 -46.5 80.9 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.705 0.802 . . . . 0.0 109.464 179.085 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.8 mt -58.97 -48.76 80.38 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 118.063 0.392 . . . . 0.0 110.217 179.208 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.1 tmmm? -57.3 -46.86 82.76 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 179.012 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.96 -45.76 90.91 Favored 'General case' 0 N--CA 1.454 -0.242 0 O-C-N 122.044 -0.41 . . . . 0.0 110.541 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.411 HD21 ' N ' ' A' ' 7' ' ' TYR . 14.8 mt -58.42 -49.74 76.2 Favored 'General case' 0 N--CA 1.448 -0.543 0 O-C-N 121.828 -0.545 . . . . 0.0 109.858 179.002 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.48 -36.87 83.86 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -58.79 -48.88 79.72 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 177.411 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -58.7 -60.78 3.28 Favored 'General case' 0 C--N 1.342 0.275 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 177.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 74.7 mtm -52.73 -30.81 34.53 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 178.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.8 t -70.1 -17.95 63.23 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 120.017 -1.677 . . . . 0.0 111.908 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -96.75 15.93 20.54 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 176.356 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.519 HD21 ' HA3' ' A' ' 18' ' ' GLY . 4.4 tp . . . . . 0 C--O 1.249 1.067 0 C-N-CA 126.076 1.751 . . . . 0.0 107.373 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' HEM . . . . . 0.436 ' C1B' ' HE1' ' A' ' 57' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.537 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -59.67 96.74 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.56 1.144 . . . . 0.0 112.066 -178.518 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -47.62 -47.7 23.45 Favored Glycine 0 CA--C 1.527 0.841 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 178.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.37 -29.64 58.81 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.92 -46.65 13.76 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 179.529 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 85.0 mt -56.36 -46.09 80.18 Favored 'General case' 0 N--CA 1.439 -0.999 0 CA-C-O 119.12 -0.467 . . . . 0.0 110.006 -178.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.462 ' CE1' ' SD ' ' A' ' 76' ' ' MET . 2.1 t80 -63.66 -14.3 50.74 Favored 'General case' 0 C--N 1.345 0.392 0 N-CA-C 114.659 1.355 . . . . 0.0 114.659 -177.79 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -60.35 -24.55 65.15 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 120.98 -1.075 . . . . 0.0 110.086 177.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.08 -3.26 25.23 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.814 0.846 . . . . 0.0 112.293 177.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.2 m -119.52 -34.05 3.9 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 127.323 2.249 . . . . 0.0 111.742 -174.136 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.1 mp -43.2 -31.39 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 C-N-CA 126.051 1.74 . . . . 0.0 110.714 177.696 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -50.77 -46.0 48.46 Favored Glycine 0 CA--C 1.537 1.42 0 O-C-N 121.655 -0.653 . . . . 0.0 112.475 177.614 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.5 m -91.74 -45.7 8.29 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 118.265 1.032 . . . . 0.0 110.675 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.429 ' CE1' HG21 ' A' ' 29' ' ' VAL . 94.8 m-70 -75.18 -17.58 60.35 Favored 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 -175.384 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.9 157.16 31.41 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 109.887 -1.285 . . . . 0.0 109.887 -178.284 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -36.63 -59.92 0.63 Allowed 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.96 1.704 . . . . 0.0 112.997 -178.63 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -100.08 32.93 2.77 Favored 'General case' 0 N--CA 1.443 -0.825 0 C-N-CA 126.104 1.761 . . . . 0.0 111.747 -179.334 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 45.61 35.18 5.5 Favored Glycine 0 CA--C 1.53 1.015 0 C-N-CA 125.416 1.484 . . . . 0.0 114.715 178.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.3 p -86.65 -29.44 22.51 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 125.797 1.639 . . . . 0.0 113.145 -177.197 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -71.36 136.78 47.96 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 121.492 0.663 . . . . 0.0 110.717 -177.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.97 77.58 2.85 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 104.92 -2.252 . . . . 0.0 104.92 175.457 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -32.22 121.72 0.31 Allowed 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 126.194 1.798 . . . . 0.0 115.071 -175.516 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 26.5 mmt 22.89 -69.81 0.0 OUTLIER 'General case' 0 C--N 1.344 0.349 1 C-N-CA 132.307 4.243 . . . . 0.0 115.297 178.084 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.16 -24.89 37.64 Favored Glycine 0 CA--C 1.527 0.823 0 C-N-CA 124.017 0.818 . . . . 0.0 112.405 178.617 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.5 m 107.21 53.53 0.0 OUTLIER 'General case' 0 C--N 1.335 -0.054 0 C-N-CA 130.883 3.673 . . . . 0.0 106.118 -179.24 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.44 153.15 27.88 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 115.621 1.712 . . . . 0.0 115.621 -176.65 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -64.42 133.87 95.81 Favored Pre-proline 0 N--CA 1.449 -0.515 0 N-CA-C 102.533 -3.136 . . . . 0.0 102.533 172.174 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -49.02 113.74 1.02 Allowed 'Trans proline' 0 N--CA 1.456 -0.685 0 C-N-CA 122.531 2.154 . . . . 0.0 110.924 -176.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.429 HG21 ' CE1' ' A' ' 14' ' ' HIS . 37.1 t -62.88 -31.98 54.32 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 CA-C-O 118.968 -0.539 . . . . 0.0 109.925 -177.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.444 ' HA ' HD23 ' A' ' 79' ' ' LEU . 60.3 tttm -46.46 86.51 0.0 OUTLIER 'General case' 0 CA--C 1.522 -0.13 0 N-CA-C 115.77 1.767 . . . . 0.0 115.77 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 80.52 24.97 57.81 Favored Glycine 0 N--CA 1.436 -1.356 0 CA-C-N 111.467 -2.606 . . . . 0.0 112.577 175.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . 0.292 20.8 pt20 -75.53 96.95 3.6 Favored 'General case' 0 N--CA 1.44 -0.937 0 CA-C-N 119.672 1.736 . . . . 0.0 109.336 179.419 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 53.52 -145.33 23.66 Favored Glycine 0 CA--C 1.545 1.949 0 C-N-CA 126.319 1.914 . . . . 0.0 111.129 -174.104 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -156.69 -61.63 0.1 Allowed 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 129.989 3.316 . . . . 0.0 102.255 176.253 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.3 tm-20 -57.59 -37.02 72.51 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 106.877 -1.527 . . . . 0.0 106.877 174.45 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -59.89 -65.02 0.74 Allowed 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 178.682 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.26 -38.43 58.17 Favored 'General case' 0 N--CA 1.451 -0.379 0 O-C-N 121.927 -0.483 . . . . 0.0 112.077 -179.319 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -66.1 -45.31 81.66 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 118.105 0.411 . . . . 0.0 111.209 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.7 ttmt -61.28 -44.9 96.47 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 -179.33 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 24.7 mmtp -66.48 -48.94 68.26 Favored 'General case' 0 N--CA 1.435 -1.188 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.99 -178.092 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 60.8 mtm -62.5 -39.46 93.58 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-O 118.143 -0.932 . . . . 0.0 109.866 178.103 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -58.68 -45.03 90.34 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 107.289 -1.375 . . . . 0.0 107.289 177.476 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -54.08 -54.32 32.2 Favored Glycine 0 CA--C 1.534 1.236 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 177.149 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -61.86 -52.55 63.67 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 118.252 1.026 . . . . 0.0 109.918 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -45.74 -53.46 9.43 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 127.222 2.209 . . . . 0.0 110.797 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -84.22 5.77 25.25 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.108 0.963 . . . . 0.0 112.48 -178.111 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 56.98 32.27 62.34 Favored Glycine 0 CA--C 1.531 1.073 0 CA-C-N 119.097 0.862 . . . . 0.0 112.024 -179.282 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.2 t -108.08 10.91 28.04 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.889 1.275 . . . . 0.0 111.357 -179.398 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -162.11 134.07 5.53 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 -179.633 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 165.26 -175.08 41.14 Favored Glycine 0 N--CA 1.445 -0.756 0 CA-C-O 122.14 0.855 . . . . 0.0 112.233 177.323 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.433 ' N ' ' HB2' ' A' ' 54' ' ' LYS . . . -176.98 -168.86 37.5 Favored Glycine 0 N--CA 1.422 -2.253 1 C-N-CA 131.555 4.407 . . . . 0.0 108.943 -176.555 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.88 -60.24 3.52 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 126.579 1.952 . . . . 0.0 113.327 -178.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.06 -41.84 73.63 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 -178.142 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.433 ' HB2' ' N ' ' A' ' 51' ' ' GLY . 62.7 mttp -55.21 -13.74 1.42 Allowed 'General case' 0 N--CA 1.437 -1.095 0 C-N-CA 129.066 2.946 . . . . 0.0 111.913 176.16 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.62 -39.96 73.43 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 176.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 22.1 mmt -61.39 -43.29 99.13 Favored 'General case' 0 C--N 1.34 0.188 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 178.208 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 32.3 mmm -57.65 -61.48 2.48 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 177.668 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 64.2 m -44.11 -48.59 9.06 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.607 1.163 . . . . 0.0 109.765 177.059 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -60.13 -44.11 95.16 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 122.346 0.259 . . . . 0.0 111.401 179.06 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.82 -32.15 70.43 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 122.965 0.506 . . . . 0.0 111.861 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 74.8 t -84.01 -39.1 14.51 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 C-N-CA 125.841 1.656 . . . . 0.0 114.409 -175.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.1 pttp -50.83 -26.15 5.39 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 120.08 1.309 . . . . 0.0 114.183 -177.006 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -65.88 -21.7 66.47 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 118.425 0.557 . . . . 0.0 112.321 179.557 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -90.79 -169.67 2.45 Favored 'General case' 0 N--CA 1.441 -0.917 0 CA-C-O 123.855 1.788 . . . . 0.0 111.675 -178.254 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 38.5 m -157.47 158.65 36.15 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 129.016 2.926 . . . . 0.0 107.235 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -27.71 -54.08 0.09 Allowed 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 126.928 2.091 . . . . 0.0 115.194 -177.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -61.1 -48.98 79.16 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 121.392 0.615 . . . . 0.0 110.624 -178.077 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -61.39 -46.15 91.36 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 179.124 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 63.8 mt -57.84 -50.34 73.61 Favored 'General case' 0 C--N 1.34 0.161 0 CA-C-O 120.685 0.279 . . . . 0.0 110.462 179.429 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -56.68 -47.91 78.8 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 122.979 0.511 . . . . 0.0 109.681 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.39 -43.88 96.3 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -178.673 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.514 HD23 ' HA ' ' A' ' 72' ' ' LEU . 10.3 mt -58.98 -49.97 75.86 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 179.342 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.57 -51.2 69.54 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 117.919 0.327 . . . . 0.0 110.556 -178.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -51.33 -45.71 62.38 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 178.214 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -61.56 -61.59 2.42 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 177.714 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.469 ' HA ' HD22 ' A' ' 79' ' ' LEU . 66.8 mtm -47.72 -29.3 2.96 Favored 'General case' 0 C--N 1.342 0.253 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 178.279 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.0 t -56.35 -36.42 68.77 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 121.963 -0.461 . . . . 0.0 110.178 178.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.0 tmtm? -91.79 -42.9 9.84 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 175.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.469 HD22 ' HA ' ' A' ' 76' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.058 0 C-N-CA 128.163 2.585 . . . . 0.0 109.804 -179.197 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.697 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -82.04 86.57 6.55 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.346 0.658 . . . . 0.0 110.561 -178.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -47.19 -51.83 13.96 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 111.346 -0.702 . . . . 0.0 111.346 179.425 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.84 -29.27 54.72 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 179.203 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.21 -42.74 18.56 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 63.3 mt -62.37 -37.37 85.44 Favored 'General case' 0 N--CA 1.436 -1.163 0 C-N-CA 123.131 0.572 . . . . 0.0 109.597 -178.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -74.25 -9.54 58.71 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 115.262 1.578 . . . . 0.0 115.262 -178.733 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -53.91 -35.28 61.48 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 120.352 1.433 . . . . 0.0 113.598 -177.314 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 p -75.43 8.61 2.67 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.878 1.271 . . . . 0.0 112.655 178.565 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.438 ' HB3' ' C4B' ' A' ' 80' ' ' HEM . 3.2 m -121.8 -35.77 3.14 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 126.307 1.843 . . . . 0.0 108.82 -175.427 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 21.1 mm -45.77 -32.86 1.39 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 126.085 1.754 . . . . 0.0 109.949 175.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -55.66 -38.91 73.91 Favored Glycine 0 CA--C 1.537 1.428 0 O-C-N 121.409 -0.807 . . . . 0.0 112.73 178.157 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 t -94.77 -46.19 7.01 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 117.951 0.876 . . . . 0.0 110.577 -179.067 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -77.31 -23.1 51.05 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 -176.618 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.05 157.94 33.89 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.411 -1.076 . . . . 0.0 110.411 -178.312 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.56 -44.34 25.97 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.551 1.14 . . . . 0.0 111.661 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 56.6 p-10 -100.19 19.88 15.66 Favored 'General case' 0 N--CA 1.438 -1.06 0 C-N-CA 127.792 2.437 . . . . 0.0 113.067 -178.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 49.62 20.74 2.86 Favored Glycine 0 CA--C 1.528 0.865 0 C-N-CA 124.227 0.917 . . . . 0.0 115.282 179.556 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.2 m -95.33 -11.27 28.08 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 117.935 0.867 . . . . 0.0 112.51 -176.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -77.81 129.64 35.69 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 107.187 -1.412 . . . . 0.0 107.187 178.298 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.91 86.84 1.0 Allowed 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 107.622 -1.251 . . . . 0.0 107.622 178.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.506 ' HB1' ' CHD' ' A' ' 80' ' ' HEM . . . -31.07 113.42 0.11 Allowed 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 127.573 2.349 . . . . 0.0 113.21 -179.29 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 4.5 tpt 30.97 -78.85 0.0 OUTLIER 'General case' 0 C--N 1.344 0.346 0 C-N-CA 130.613 3.565 . . . . 0.0 114.863 176.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -51.96 -35.76 41.1 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 69.1 m 120.83 64.18 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 130.935 3.694 . . . . 0.0 106.496 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.52 149.74 48.07 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 119.302 -0.959 . . . . 0.0 112.82 179.196 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.46 120.68 72.4 Favored Pre-proline 0 N--CA 1.448 -0.557 0 N-CA-C 101.822 -3.399 . . . . 0.0 101.822 173.142 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_exo -30.69 112.98 0.04 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 124.456 3.437 . . . . 0.0 113.613 -177.565 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 24.1 t -60.8 -26.24 37.82 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 179.303 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.2 tptt -51.71 94.87 0.01 OUTLIER 'General case' 0 CA--C 1.518 -0.258 0 C-N-CA 125.32 1.448 . . . . 0.0 113.099 176.27 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 97.57 13.3 44.83 Favored Glycine 0 N--CA 1.449 -0.461 0 CA-C-N 112.888 -1.96 . . . . 0.0 113.072 176.363 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -65.47 151.73 45.66 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 106.017 -1.846 . . . . 0.0 106.017 177.556 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -69.78 132.45 24.35 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 119.943 -1.723 . . . . 0.0 113.19 -176.433 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.32 -47.85 36.54 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 119.801 1.8 . . . . 0.0 111.206 179.064 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -59.98 -42.37 94.05 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.8 tt0 -60.36 -62.2 2.04 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 178.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 41.0 mt -46.83 -46.27 20.72 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 126.596 1.958 . . . . 0.0 110.022 179.523 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -64.4 -54.63 29.8 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 122.898 0.479 . . . . 0.0 111.968 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.4 mtpm? -57.59 -41.47 81.24 Favored 'General case' 0 N--CA 1.429 -1.493 0 CA-C-N 118.933 0.788 . . . . 0.0 110.092 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp -62.26 -50.4 71.84 Favored 'General case' 0 N--CA 1.438 -1.04 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 64.3 mtm -62.81 -37.66 87.63 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 117.711 -1.138 . . . . 0.0 110.661 178.482 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.2 tptt -61.11 -41.78 97.32 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 120.412 1.46 . . . . 0.0 107.452 178.162 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -55.76 -51.26 56.31 Favored Glycine 0 CA--C 1.533 1.206 0 N-CA-C 110.412 -1.075 . . . . 0.0 110.412 176.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.403 ' CZ ' ' CE2' ' A' ' 49' ' ' TYR . 15.4 m-85 -68.17 -31.33 70.81 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.066 0.546 . . . . 0.0 111.694 179.241 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.06 -59.93 2.51 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 124.154 0.982 . . . . 0.0 110.511 -177.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -145.16 29.65 1.17 Allowed 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 -175.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -131.42 19.02 4.87 Favored Glycine 0 CA--C 1.527 0.796 0 CA-C-N 119.902 1.228 . . . . 0.0 113.057 -179.387 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.7 t 37.86 40.29 0.27 Allowed 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 127.933 2.493 . . . . 0.0 112.496 179.16 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.403 ' CE2' ' CZ ' ' A' ' 44' ' ' TYR . 1.8 t80 -79.95 132.6 36.08 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 106.651 -1.611 . . . . 0.0 106.651 177.429 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 153.19 -172.47 32.12 Favored Glycine 0 C--N 1.336 0.54 0 CA-C-O 122.817 1.231 . . . . 0.0 115.337 176.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.447 ' H ' ' HB2' ' A' ' 54' ' ' LYS . . . -164.03 -179.27 38.18 Favored Glycine 0 N--CA 1.425 -2.074 1 C-N-CA 134.014 5.578 . . . . 0.0 105.427 179.387 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.38 -50.99 6.69 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.726 1.21 . . . . 0.0 112.086 -178.811 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 55.1 mtp85 -55.11 -38.64 68.41 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.49 1.116 . . . . 0.0 110.968 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.447 ' HB2' ' H ' ' A' ' 51' ' ' GLY . 0.3 OUTLIER -85.89 -4.71 59.23 Favored 'General case' 0 N--CA 1.435 -1.196 0 C-N-CA 125.217 1.407 . . . . 0.0 113.853 -178.321 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.02 -51.29 68.31 Favored 'General case' 0 CA--C 1.532 0.269 0 O-C-N 120.94 -1.1 . . . . 0.0 109.351 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 26.0 mmt -57.47 -49.86 74.92 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 178.415 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.457 ' HE1' ' C1B' ' A' ' 80' ' ' HEM . 32.1 mmm -50.51 -53.7 28.01 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.416 1.086 . . . . 0.0 111.749 179.456 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 28.2 m -52.07 -54.98 23.69 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -58.07 -37.55 74.67 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 179.226 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.11 -54.07 39.74 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 123.055 0.542 . . . . 0.0 111.644 -178.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.442 HG12 HMB3 ' A' ' 80' ' ' HEM . 1.1 m -80.33 -23.07 11.43 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 C-N-CA 119.613 -0.835 . . . . 0.0 111.734 -174.047 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -49.84 -33.05 15.69 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -177.371 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -76.69 -7.89 56.2 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 -178.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -92.99 178.79 5.64 Favored 'General case' 0 N--CA 1.441 -0.899 0 N-CA-C 107.721 -1.215 . . . . 0.0 107.721 179.459 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.8 m -127.07 157.1 40.54 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 126.984 2.113 . . . . 0.0 109.446 -177.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -39.47 -50.86 2.16 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.176 1.39 . . . . 0.0 114.202 -179.054 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -63.74 -39.39 94.18 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 121.22 0.533 . . . . 0.0 110.21 -178.36 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -67.07 -44.9 78.93 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 179.026 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.5 mt -57.27 -46.23 83.27 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 122.993 0.517 . . . . 0.0 109.91 177.467 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -59.69 -49.51 77.45 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 178.405 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.54 -45.81 88.12 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 -179.534 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.4 mt -54.91 -59.86 4.16 Favored 'General case' 0 N--CA 1.441 -0.906 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 178.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.03 -46.13 78.95 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 117.985 0.357 . . . . 0.0 110.874 -177.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -52.45 -47.06 66.65 Favored 'General case' 0 N--CA 1.457 -0.077 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 179.135 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -65.71 -65.21 0.7 Allowed 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 119.103 -0.475 . . . . 0.0 109.883 177.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.1 mtp -46.05 -32.11 2.66 Favored 'General case' 0 C--N 1.34 0.18 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 -179.578 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.6 t -63.38 -35.18 79.54 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 121.699 -0.625 . . . . 0.0 110.266 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 38.2 mmtm -83.05 -48.38 10.67 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 176.316 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.099 0 C-N-CA 128.781 2.832 . . . . 0.0 110.018 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' HEM . . . . . 0.506 ' CHD' ' HB1' ' A' ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.772 0 CA-C-O 117.977 -1.011 . . . . 0.0 108.364 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -58.37 124.7 20.43 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 118.99 0.814 . . . . 0.0 111.878 -179.104 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.52 -44.4 90.56 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 109.938 -1.265 . . . . 0.0 109.938 177.516 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.3 -7.68 20.26 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 112.902 0.704 . . . . 0.0 112.902 179.465 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -99.07 -52.02 3.67 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 106.753 -1.573 . . . . 0.0 106.753 175.485 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 32.7 mt -56.14 -41.25 75.09 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-O 119.0 -0.524 . . . . 0.0 110.952 -179.123 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.439 ' N ' HD21 ' A' ' 72' ' ' LEU . 4.3 t80 -67.96 -16.11 63.91 Favored 'General case' 0 C--N 1.345 0.41 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 -177.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.1 mmpt? -61.29 -25.19 66.94 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 120.761 -1.212 . . . . 0.0 110.458 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.95 -5.89 38.09 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.318 1.047 . . . . 0.0 112.304 177.721 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.9 m -112.38 -36.05 5.39 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 128.034 2.533 . . . . 0.0 110.708 -175.428 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -44.5 -30.25 0.64 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 C-N-CA 126.363 1.865 . . . . 0.0 110.638 177.166 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -50.6 -41.88 43.13 Favored Glycine 0 CA--C 1.536 1.375 0 CA-C-N 118.764 0.711 . . . . 0.0 111.546 176.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.2 m -97.47 -50.22 4.6 Favored 'General case' 0 C--N 1.341 0.235 0 CA-C-N 117.689 0.745 . . . . 0.0 109.927 178.508 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.432 ' CE1' HG21 ' A' ' 29' ' ' VAL . 69.4 m-70 -67.11 -19.25 65.59 Favored 'General case' 0 N--CA 1.433 -1.308 0 C-N-CA 126.701 2.0 . . . . 0.0 115.23 -175.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 83.95 155.69 21.81 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.346 -1.102 . . . . 0.0 110.346 -178.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -29.31 -58.69 0.15 Allowed 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 127.37 2.268 . . . . 0.0 113.769 -178.541 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -111.91 41.12 2.0 Favored 'General case' 0 N--CA 1.439 -0.988 0 C-N-CA 126.343 1.857 . . . . 0.0 111.571 -179.285 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 49.63 31.39 15.1 Favored Glycine 0 CA--C 1.531 1.052 0 CA-C-N 118.901 0.773 . . . . 0.0 114.384 178.446 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.6 p -87.73 -31.74 19.51 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 126.213 1.805 . . . . 0.0 112.772 -177.201 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -73.43 137.95 44.9 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 121.484 0.659 . . . . 0.0 109.285 -179.181 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.43 75.82 3.18 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 106.369 -1.715 . . . . 0.0 106.369 178.118 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -21.46 69.52 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 130.921 3.688 . . . . 0.0 119.897 -173.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 24.0 mmt 63.93 -67.27 0.1 Allowed 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 126.505 1.922 . . . . 0.0 109.898 178.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.61 36.21 1.83 Allowed Glycine 0 CA--C 1.526 0.763 0 O-C-N 121.493 -0.754 . . . . 0.0 111.855 178.088 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 27.3 m 52.23 49.89 19.58 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 125.997 1.719 . . . . 0.0 111.871 178.317 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.71 136.82 57.8 Favored 'General case' 0 C--N 1.346 0.448 0 C-N-CA 117.399 -1.72 . . . . 0.0 114.102 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -59.67 120.02 45.6 Favored Pre-proline 0 CA--C 1.54 0.59 0 N-CA-C 103.564 -2.754 . . . . 0.0 103.564 174.037 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -26.02 105.73 0.02 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.593 1 C-N-CA 125.501 4.134 . . . . 0.0 114.173 -175.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.432 HG21 ' CE1' ' A' ' 14' ' ' HIS . 47.2 t -61.24 -30.3 47.6 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -58.72 88.45 0.01 OUTLIER 'General case' 0 C--N 1.343 0.288 0 C-N-CA 124.897 1.279 . . . . 0.0 110.75 177.338 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 119.95 -2.53 13.21 Favored Glycine 0 CA--C 1.521 0.427 0 CA-C-N 114.59 -1.186 . . . . 0.0 113.317 177.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -62.36 146.71 50.51 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 106.12 -1.808 . . . . 0.0 106.12 176.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -77.57 143.27 27.91 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 120.844 -1.16 . . . . 0.0 113.947 -175.195 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.98 -48.28 16.56 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 119.621 1.71 . . . . 0.0 111.824 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -59.97 -44.06 94.68 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -59.89 -63.08 1.43 Allowed 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.196 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 42.1 mt -46.29 -48.38 18.12 Favored 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 126.814 2.046 . . . . 0.0 110.187 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -68.93 -49.76 55.24 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 118.882 -0.58 . . . . 0.0 112.049 -179.158 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 66.1 tttp -57.65 -40.19 78.74 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 118.806 0.73 . . . . 0.0 109.38 -179.51 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -67.18 -51.9 47.98 Favored 'General case' 0 N--CA 1.437 -1.119 0 C-N-CA 124.125 0.97 . . . . 0.0 110.257 -178.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 66.7 mtm -63.31 -35.99 82.19 Favored 'General case' 0 C--O 1.219 -0.53 0 CA-C-O 118.57 -0.729 . . . . 0.0 110.068 178.626 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -60.99 -46.98 88.58 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 177.298 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.57 -53.86 30.34 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.221 -1.152 . . . . 0.0 110.221 176.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -63.94 -41.86 97.48 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.23 1.015 . . . . 0.0 111.348 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.83 -50.11 61.52 Favored 'General case' 0 CA--C 1.527 0.092 0 C-N-CA 125.658 1.583 . . . . 0.0 108.434 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -86.5 7.84 24.37 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.515 1.126 . . . . 0.0 112.278 -179.181 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 52.51 34.5 42.67 Favored Glycine 0 CA--C 1.534 1.256 0 CA-C-N 119.204 0.911 . . . . 0.0 112.709 -179.18 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.8 t -118.21 34.77 5.02 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 125.656 1.582 . . . . 0.0 111.24 -178.42 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -164.05 161.87 22.8 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 106.594 -1.632 . . . . 0.0 106.594 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -147.7 -178.43 22.92 Favored Glycine 0 C--N 1.336 0.556 0 CA-C-O 121.563 0.535 . . . . 0.0 113.291 -178.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 172.44 176.87 41.47 Favored Glycine 0 N--CA 1.424 -2.101 0 C-N-CA 129.921 3.629 . . . . 0.0 107.941 -178.265 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -45.48 -40.33 8.26 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 126.396 1.878 . . . . 0.0 112.833 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 76.4 mmt-85 -122.59 40.43 3.68 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 118.682 0.673 . . . . 0.0 110.422 179.203 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.0 pttm -48.75 -44.06 38.26 Favored 'General case' 0 C--O 1.225 -0.215 0 C-N-CA 124.212 1.005 . . . . 0.0 113.123 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.78 -50.99 70.12 Favored 'General case' 0 N--CA 1.457 -0.118 0 O-C-N 122.365 -0.209 . . . . 0.0 110.681 -178.353 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 38.7 mmt -59.76 -43.11 94.46 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 179.089 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 36.2 mmm -57.92 -60.77 3.21 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.232 179.56 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 19.9 m -52.73 -42.16 64.63 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 118.82 0.736 . . . . 0.0 109.679 177.637 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.84 -38.99 90.26 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 119.624 1.102 . . . . 0.0 110.506 178.737 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.78 -36.14 65.02 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.93 0.892 . . . . 0.0 112.318 -178.563 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 53.8 t -87.28 -50.94 13.43 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 C-N-CA 126.671 1.989 . . . . 0.0 114.631 -175.437 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -54.91 -26.68 37.67 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 124.033 0.933 . . . . 0.0 112.975 -176.52 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -70.17 -18.64 63.21 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 118.836 0.743 . . . . 0.0 111.234 178.3 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -89.3 -178.49 5.64 Favored 'General case' 0 N--CA 1.437 -1.078 0 CA-C-O 122.556 1.17 . . . . 0.0 108.878 178.584 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.2 m -122.94 158.58 30.1 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 127.385 2.274 . . . . 0.0 109.46 -178.444 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -42.54 -47.28 5.12 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.873 1.269 . . . . 0.0 112.374 179.573 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -58.87 -49.56 77.32 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.172 0.989 . . . . 0.0 110.003 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -62.06 -44.06 97.5 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 81.3 mt -60.67 -43.43 97.69 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 122.826 0.45 . . . . 0.0 110.307 178.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.53 -45.65 89.61 Favored 'General case' 0 N--CA 1.433 -1.32 0 C-N-CA 123.781 0.832 . . . . 0.0 109.227 178.562 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.66 -45.09 95.53 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 -179.505 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.439 HD21 ' N ' ' A' ' 7' ' ' TYR . 14.3 mt -57.32 -60.47 3.58 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-O 118.891 -0.576 . . . . 0.0 109.708 178.541 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.94 -42.43 72.3 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.31 -177.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -54.45 -52.47 61.75 Favored 'General case' 0 C--N 1.34 0.164 0 N-CA-C 108.469 -0.938 . . . . 0.0 108.469 178.148 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -58.95 -62.03 2.19 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 178.133 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.5 mtp -48.73 -34.67 12.52 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 113.839 1.051 . . . . 0.0 113.839 -179.397 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.9 t -57.8 -30.86 66.04 Favored 'General case' 0 CA--C 1.534 0.362 0 O-C-N 121.48 -0.762 . . . . 0.0 110.02 179.039 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -117.71 42.94 2.5 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.468 1.907 . . . . 0.0 107.589 176.109 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.211 0 C-N-CA 127.739 2.415 . . . . 0.0 112.302 -178.077 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.041 0 N-CA-C 106.122 -1.807 . . . . 0.0 106.122 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 56.2 t0 73.62 102.86 0.07 Allowed 'General case' 0 CA--C 1.514 -0.433 1 N-CA-C 98.406 -4.664 . . . . 0.0 98.406 -169.766 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 85.41 95.52 0.75 Allowed Glycine 0 N--CA 1.421 -2.337 1 N-CA-C 95.558 -7.017 . . . . 0.0 95.558 -162.32 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 99.95 -30.8 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 128.504 2.722 . . . . 0.0 109.173 -174.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -86.15 -36.55 19.47 Favored 'General case' 0 C--N 1.351 0.632 0 CA-C-N 120.525 1.512 . . . . 0.0 108.916 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.41 ' CB ' HD21 ' A' ' 72' ' ' LEU . 62.9 mt -74.86 -37.9 62.09 Favored 'General case' 0 N--CA 1.442 -0.847 0 C-N-CA 118.606 -1.238 . . . . 0.0 108.983 -178.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -62.09 -18.29 60.29 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 -177.466 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? -51.74 -38.67 56.3 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 119.399 0.999 . . . . 0.0 111.289 178.178 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.1 p -66.72 -29.24 69.17 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.7 m -83.9 -35.09 24.35 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 126.841 2.057 . . . . 0.0 109.937 -175.599 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -48.55 -31.87 3.8 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 C-N-CA 125.038 1.335 . . . . 0.0 110.253 178.638 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -52.48 -40.87 55.09 Favored Glycine 0 CA--C 1.534 1.281 0 CA-C-O 119.616 -0.547 . . . . 0.0 112.233 178.07 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 12.8 m -98.36 -47.3 5.47 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 117.898 0.849 . . . . 0.0 110.687 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -74.13 -22.07 59.61 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 114.727 1.38 . . . . 0.0 114.727 -175.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.98 151.61 10.57 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.237 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.99 64.32 5.7 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 106.346 -1.724 . . . . 0.0 106.346 176.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.1 p30 179.6 -16.81 0.0 OUTLIER 'General case' 0 N--CA 1.437 -1.105 0 C-N-CA 130.098 3.359 . . . . 0.0 111.958 -174.47 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 56.56 19.4 26.98 Favored Glycine 0 C--N 1.342 0.908 0 CA-C-N 119.367 0.985 . . . . 0.0 113.694 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.3 m -104.73 -19.48 13.92 Favored 'General case' 0 N--CA 1.445 -0.695 0 C-N-CA 125.671 1.588 . . . . 0.0 109.971 -178.515 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -67.49 112.17 4.52 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 105.864 -1.902 . . . . 0.0 105.864 177.28 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.62 86.09 0.2 Allowed 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 -179.606 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -43.53 130.25 5.19 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 125.27 1.428 . . . . 0.0 113.572 -176.527 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 24.8 mmt 24.28 -79.7 0.0 OUTLIER 'General case' 0 C--N 1.342 0.275 0 C-N-CA 130.867 3.667 . . . . 0.0 114.871 179.278 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -52.91 -40.42 57.62 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 111.56 -0.616 . . . . 0.0 111.56 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 71.0 m 126.78 62.85 0.0 OUTLIER 'General case' 0 C--O 1.232 0.163 0 C-N-CA 131.7 4.0 . . . . 0.0 107.633 179.308 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.19 128.41 33.79 Favored 'General case' 0 C--N 1.345 0.388 0 C-N-CA 119.323 -0.951 . . . . 0.0 112.551 179.58 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.4 mmtm -64.64 120.61 67.32 Favored Pre-proline 0 N--CA 1.45 -0.435 0 N-CA-C 103.799 -2.667 . . . . 0.0 103.799 176.623 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 0.5 OUTLIER -19.5 97.92 0.01 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.698 1 C-N-CA 126.22 4.613 . . . . 0.0 115.1 -175.895 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.6 t -56.93 -30.22 33.0 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 N-CA-C 107.57 -1.271 . . . . 0.0 107.57 178.482 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -42.88 90.86 0.0 OUTLIER 'General case' 0 C--N 1.344 0.351 0 C-N-CA 126.688 1.995 . . . . 0.0 113.792 177.546 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 68.58 42.3 81.25 Favored Glycine 0 N--CA 1.443 -0.846 0 CA-C-N 113.327 -1.76 . . . . 0.0 110.258 177.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.475 ' HB2' HD21 ' A' ' 37' ' ' LEU . 1.6 mt-30 -52.71 -41.46 63.96 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 178.51 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -173.67 -108.36 0.21 Allowed Glycine 0 CA--C 1.534 1.234 0 C-N-CA 127.317 2.389 . . . . 0.0 108.181 173.402 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 173.9 -57.87 0.01 OUTLIER 'General case' 0 CA--C 1.515 -0.369 0 C-N-CA 131.391 3.876 . . . . 0.0 101.806 176.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.1 tp10 -64.4 -42.13 96.27 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 105.797 -1.927 . . . . 0.0 105.797 173.284 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -57.58 -65.75 0.58 Allowed 'General case' 0 C--N 1.344 0.331 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 177.634 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.475 HD21 ' HB2' ' A' ' 32' ' ' GLN . 29.1 mt -44.51 -47.51 10.12 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.692 1.597 . . . . 0.0 110.946 179.048 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -62.79 -53.7 50.34 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 124.171 0.988 . . . . 0.0 111.395 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -58.24 -40.33 81.48 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 -179.507 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 65.3 mmtt -63.12 -52.8 61.13 Favored 'General case' 0 N--CA 1.441 -0.905 0 C-N-CA 123.767 0.827 . . . . 0.0 109.37 -179.337 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 66.2 mtm -64.72 -36.64 84.95 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-O 118.263 -0.875 . . . . 0.0 111.029 178.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -60.29 -43.67 96.07 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 106.638 -1.615 . . . . 0.0 106.638 177.591 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -55.21 -53.4 40.86 Favored Glycine 0 CA--C 1.528 0.902 0 N-CA-C 110.191 -1.164 . . . . 0.0 110.191 176.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -61.17 -46.83 88.9 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 118.515 1.157 . . . . 0.0 110.031 179.23 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.24 -43.49 61.5 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 125.678 1.591 . . . . 0.0 109.712 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -93.47 7.89 42.79 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.893 0.877 . . . . 0.0 112.101 -178.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 53.82 32.08 47.46 Favored Glycine 0 CA--C 1.532 1.151 0 C-N-CA 124.304 0.954 . . . . 0.0 112.474 -178.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.2 t -118.3 33.86 5.45 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.613 1.565 . . . . 0.0 111.458 -178.1 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -164.81 164.97 20.95 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 106.618 -1.623 . . . . 0.0 106.618 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -151.13 -175.56 23.12 Favored Glycine 0 CA--C 1.523 0.593 0 CA-C-O 122.426 1.014 . . . . 0.0 113.685 -179.484 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -178.43 173.76 46.11 Favored Glycine 0 N--CA 1.426 -1.982 1 C-N-CA 133.483 5.325 . . . . 0.0 105.093 -178.4 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -67.72 -26.69 66.28 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 119.147 -1.021 . . . . 0.0 111.294 -177.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.9 mmp_? -105.57 26.49 9.45 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.226 1.011 . . . . 0.0 109.67 176.222 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.78 -36.35 36.48 Favored 'General case' 0 C--N 1.343 0.326 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -178.179 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.42 -54.08 48.22 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 118.267 0.485 . . . . 0.0 109.986 -179.404 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 26.6 mmt -59.17 -48.41 81.7 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 108.534 -0.914 . . . . 0.0 108.534 179.511 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 22.4 mmm -55.74 -51.23 68.07 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 120.971 0.415 . . . . 0.0 111.103 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 89.5 m -56.9 -49.7 74.76 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 178.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -56.95 -35.68 69.38 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 118.444 0.565 . . . . 0.0 110.301 178.811 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.55 -38.75 77.58 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 118.152 -0.928 . . . . 0.0 112.878 -178.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.9 m -98.13 -35.0 4.88 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-N 119.5 1.046 . . . . 0.0 113.535 -176.587 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 41.1 tttp -68.06 70.93 0.16 Allowed 'General case' 0 C--N 1.341 0.239 0 C-N-CA 126.342 1.857 . . . . 0.0 110.887 -176.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -169.56 -34.71 0.02 OUTLIER 'General case' 0 N--CA 1.44 -0.938 0 C-N-CA 129.399 3.08 . . . . 0.0 107.841 -179.132 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -78.86 171.38 15.26 Favored 'General case' 0 N--CA 1.433 -1.304 0 CA-C-O 122.93 1.348 . . . . 0.0 108.648 178.089 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 99.0 p -108.77 166.48 10.77 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 128.045 2.538 . . . . 0.0 109.706 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -48.81 -48.23 41.6 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.395 0.678 . . . . 0.0 111.932 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -58.34 -52.43 65.64 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.071 0.548 . . . . 0.0 109.809 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -59.11 -42.2 89.95 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 123.242 0.617 . . . . 0.0 110.613 179.649 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 40.7 mt -60.28 -46.88 88.28 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 177.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.6 tmtt? -59.76 -43.45 94.32 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 178.124 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.88 -48.2 82.24 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.72 0.808 . . . . 0.0 109.467 179.53 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' A' ' 72' ' ' LEU . 13.1 mt -57.93 -52.27 66.17 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-O 119.32 -0.372 . . . . 0.0 110.862 178.718 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.23 -48.12 82.79 Favored 'General case' 0 N--CA 1.454 -0.273 0 O-C-N 123.121 0.263 . . . . 0.0 110.422 -177.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -53.67 -44.77 69.95 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 177.139 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -64.95 -53.87 39.59 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 120.105 -0.638 . . . . 0.0 109.645 178.693 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 53.4 mtm -48.34 -38.89 20.33 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 119.405 1.002 . . . . 0.0 111.481 176.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.9 t -54.75 -30.11 55.54 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.231 -0.918 . . . . 0.0 110.676 177.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -99.75 32.36 2.89 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 126.38 1.872 . . . . 0.0 111.997 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 25.1 mt . . . . . 0 C--O 1.249 1.067 0 CA-C-O 117.717 -1.135 . . . . 0.0 108.513 174.284 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 80' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.645 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.427 ' HB3' ' HB3' ' A' ' 5' ' ' ALA . 12.3 t70 -60.07 119.29 7.53 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 119.268 0.94 . . . . 0.0 112.074 -178.763 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.3 -54.64 35.53 Favored Glycine 0 CA--C 1.527 0.838 0 N-CA-C 111.802 -0.519 . . . . 0.0 111.802 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.66 -46.98 74.1 Favored 'General case' 0 N--CA 1.457 -0.108 0 CA-C-N 117.633 0.716 . . . . 0.0 111.176 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.427 ' HB3' ' HB3' ' A' ' 2' ' ' ASP . . . -61.95 -52.36 64.35 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 -179.721 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 70.8 mt -53.09 -48.45 67.76 Favored 'General case' 0 N--CA 1.441 -0.913 0 CA-C-N 118.284 0.493 . . . . 0.0 110.584 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -60.63 -17.42 47.08 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 -177.488 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -56.83 -35.0 68.31 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 119.904 1.229 . . . . 0.0 109.567 177.532 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.45 -7.0 21.93 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.526 1.131 . . . . 0.0 112.799 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.5 m -115.23 -36.62 4.3 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 127.563 2.345 . . . . 0.0 110.739 -175.576 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.2 tp -46.5 -31.39 1.46 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 C-N-CA 125.786 1.634 . . . . 0.0 111.405 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -53.0 -42.45 60.79 Favored Glycine 0 CA--C 1.535 1.285 0 N-CA-C 111.58 -0.608 . . . . 0.0 111.58 177.601 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.0 m -92.56 -46.0 7.83 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 117.491 0.646 . . . . 0.0 110.05 178.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.497 ' CE1' HG21 ' A' ' 29' ' ' VAL . 86.1 m-70 -69.65 -21.59 63.53 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 115.64 1.719 . . . . 0.0 115.64 -175.39 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.57 149.2 11.76 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 109.501 -1.439 . . . . 0.0 109.501 -178.341 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.84 67.24 2.86 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 121.876 0.846 . . . . 0.0 110.046 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.6 p30 169.39 -10.34 0.0 OUTLIER 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 131.178 3.791 . . . . 0.0 112.802 -178.288 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 55.22 22.82 30.93 Favored Glycine 0 CA--C 1.53 0.987 0 CA-C-N 119.75 1.159 . . . . 0.0 111.859 -177.446 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.0 m -110.36 -24.48 10.61 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 125.783 1.633 . . . . 0.0 110.346 -178.499 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -78.32 70.76 4.72 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 179.211 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -11.55 93.23 0.01 OUTLIER 'General case' 0 C--N 1.342 0.275 0 C-N-CA 129.281 3.032 . . . . 0.0 111.925 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -43.51 132.52 4.7 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 114.311 1.226 . . . . 0.0 114.311 -175.042 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 26.3 mmt 16.99 -77.04 0.0 OUTLIER 'General case' 0 C--N 1.343 0.305 0 C-N-CA 130.272 3.429 . . . . 0.0 113.527 179.356 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.1 40.94 1.25 Allowed Glycine 0 CA--C 1.533 1.184 0 CA-C-N 118.722 0.692 . . . . 0.0 112.334 178.121 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.6 m 49.96 54.5 10.96 Favored 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 126.731 2.012 . . . . 0.0 111.541 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.29 140.8 43.77 Favored 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -59.35 119.37 38.7 Favored Pre-proline 0 N--CA 1.452 -0.374 0 N-CA-C 103.567 -2.753 . . . . 0.0 103.567 175.061 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_exo -29.47 102.05 0.02 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 124.8 3.666 . . . . 0.0 113.456 -177.201 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.497 HG21 ' CE1' ' A' ' 14' ' ' HIS . 61.8 t -57.03 -29.47 31.56 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 51.5 tptt -40.68 91.79 0.0 OUTLIER 'General case' 0 C--N 1.341 0.207 0 C-N-CA 128.368 2.667 . . . . 0.0 113.122 175.031 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 64.05 44.08 96.37 Favored Glycine 0 N--CA 1.444 -0.81 0 CA-C-N 112.137 -2.301 . . . . 0.0 109.892 178.166 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -53.9 -42.36 68.61 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 179.331 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.32 -109.01 0.24 Allowed Glycine 0 CA--C 1.531 1.088 0 C-N-CA 127.734 2.588 . . . . 0.0 107.563 173.246 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 178.71 -60.26 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 130.555 3.542 . . . . 0.0 101.949 176.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.4 tp10 -63.82 -39.54 94.47 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 105.552 -2.018 . . . . 0.0 105.552 173.029 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -57.18 -64.36 0.91 Allowed 'General case' 0 C--N 1.343 0.318 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 177.156 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 17.1 mt -47.53 -44.56 25.87 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.245 1.418 . . . . 0.0 111.128 179.332 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -65.84 -50.33 64.96 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 123.127 0.571 . . . . 0.0 111.101 179.544 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -58.5 -41.1 84.6 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.542 0.737 . . . . 0.0 109.128 179.401 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -62.22 -53.82 49.77 Favored 'General case' 0 N--CA 1.439 -0.997 0 C-N-CA 123.994 0.918 . . . . 0.0 109.072 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 56.7 mtm -60.1 -50.12 74.97 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-O 117.898 -1.049 . . . . 0.0 110.021 178.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -51.72 -42.17 62.07 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 119.772 1.169 . . . . 0.0 108.625 178.701 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -53.11 -48.68 58.22 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 110.172 -1.171 . . . . 0.0 110.172 176.636 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -70.32 -54.48 12.41 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 120.747 -1.443 . . . . 0.0 109.231 178.364 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -38.38 -56.73 1.21 Allowed 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 129.289 3.036 . . . . 0.0 111.42 -178.476 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -146.57 29.67 1.02 Allowed 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 113.45 0.908 . . . . 0.0 113.45 -175.48 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -145.84 21.4 1.8 Allowed Glycine 0 CA--C 1.529 0.909 0 CA-C-N 120.435 1.471 . . . . 0.0 113.924 -179.105 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 24.2 t 39.82 43.42 1.19 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 127.566 2.346 . . . . 0.0 112.89 179.313 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -67.21 161.79 24.02 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 175.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -125.24 -176.52 14.57 Favored Glycine 0 C--N 1.338 0.65 0 N-CA-C 116.382 1.313 . . . . 0.0 116.382 -177.543 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 163.69 176.68 35.86 Favored Glycine 0 N--CA 1.425 -2.096 1 C-N-CA 131.034 4.159 . . . . 0.0 106.384 -177.636 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -55.65 -44.24 77.02 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 124.061 0.945 . . . . 0.0 109.49 179.524 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 34.7 mtp85 -111.7 35.15 3.78 Favored 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 124.068 0.947 . . . . 0.0 111.44 -178.2 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.3 pttt -45.98 -42.42 13.05 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 125.067 1.347 . . . . 0.0 112.937 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.46 -50.94 65.51 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.447 0.699 . . . . 0.0 110.716 -178.553 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -59.43 -44.15 92.96 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 179.201 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 27.2 mmm -57.91 -58.98 6.02 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.839 178.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 64.1 m -51.43 -41.36 60.75 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 123.703 0.801 . . . . 0.0 110.135 177.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -62.63 -48.8 77.79 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 119.801 1.182 . . . . 0.0 110.186 178.056 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.09 -34.73 75.4 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 123.979 0.912 . . . . 0.0 112.471 -179.046 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 61.1 t -88.69 -50.83 13.08 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 C-N-CA 125.805 1.642 . . . . 0.0 114.625 -175.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 34.3 ttmt -54.85 -27.51 42.92 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.456 1.103 . . . . 0.0 112.599 -177.046 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.0 ptpp? -66.94 -19.74 65.78 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 118.545 0.611 . . . . 0.0 111.091 177.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -96.71 -176.99 3.76 Favored 'General case' 0 N--CA 1.438 -1.04 0 C-N-CA 125.048 1.339 . . . . 0.0 108.884 178.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.3 t -132.54 167.98 19.04 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 125.839 1.656 . . . . 0.0 109.812 178.599 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.8 p-10 -35.96 -51.22 0.71 Allowed 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 127.202 2.201 . . . . 0.0 113.264 -179.618 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -60.59 -54.25 47.72 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.127 0.571 . . . . 0.0 109.796 -178.662 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.3 mp0 -55.99 -46.94 78.52 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.325 0.65 . . . . 0.0 109.626 178.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.4 mt -60.55 -47.47 86.05 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 117.861 0.3 . . . . 0.0 110.761 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -63.27 -40.21 96.75 Favored 'General case' 0 N--CA 1.452 -0.334 0 O-C-N 121.937 -0.477 . . . . 0.0 110.125 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.07 -44.51 84.27 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.9 mt -56.94 -59.56 4.87 Favored 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 178.14 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -50.77 -50.23 56.41 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 123.596 0.56 . . . . 0.0 110.588 -178.495 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -53.11 -45.18 68.15 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 176.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 47.1 t80 -65.17 -53.48 44.28 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 118.074 -0.965 . . . . 0.0 109.641 177.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.8 mpp? -48.66 -36.08 15.22 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 120.454 1.479 . . . . 0.0 111.722 177.154 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.7 t -54.93 -31.05 59.97 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 121.233 -0.917 . . . . 0.0 110.546 177.351 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 38.0 mmtm -96.71 29.44 2.99 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.061 1.744 . . . . 0.0 111.864 179.206 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 27.8 mt . . . . . 0 C--O 1.25 1.104 0 CA-C-O 117.128 -1.415 . . . . 0.0 108.589 174.635 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 80' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.698 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -83.06 92.58 7.42 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -47.19 -49.79 18.12 Favored Glycine 0 CA--C 1.528 0.894 0 C-N-CA 123.285 0.469 . . . . 0.0 112.102 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.22 -28.94 44.37 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.437 0.695 . . . . 0.0 112.614 179.29 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.04 -22.73 42.02 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-O 119.199 -0.429 . . . . 0.0 110.383 -178.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.438 ' CB ' HD13 ' A' ' 72' ' ' LEU . 7.2 mt -90.5 -29.32 17.98 Favored 'General case' 0 N--CA 1.438 -1.067 0 N-CA-C 106.042 -1.836 . . . . 0.0 106.042 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.444 ' CE1' ' SD ' ' A' ' 76' ' ' MET . 0.8 OUTLIER -69.87 -12.99 62.04 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 178.486 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -51.99 -43.89 63.82 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 121.139 -0.976 . . . . 0.0 111.21 179.271 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.02 -5.85 7.28 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.08 1.352 . . . . 0.0 113.428 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.2 m -113.27 -37.76 4.62 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 127.546 2.338 . . . . 0.0 110.862 -174.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -46.49 -27.84 0.85 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 C-N-CA 125.826 1.65 . . . . 0.0 110.631 178.042 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -56.21 -48.49 74.22 Favored Glycine 0 CA--C 1.538 1.515 0 O-C-N 121.263 -0.898 . . . . 0.0 111.545 176.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.8 m -88.54 -39.92 13.79 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 117.854 0.827 . . . . 0.0 110.761 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -80.41 -19.26 46.6 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 -176.217 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 86.54 157.46 30.19 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.353 -1.099 . . . . 0.0 110.353 -178.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -30.94 -58.73 0.22 Allowed 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 127.06 2.144 . . . . 0.0 113.9 -178.394 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -112.41 35.7 3.7 Favored 'General case' 0 N--CA 1.442 -0.855 0 C-N-CA 125.813 1.645 . . . . 0.0 111.836 -179.07 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 56.56 24.94 49.04 Favored Glycine 0 CA--C 1.532 1.094 0 N-CA-C 116.763 1.465 . . . . 0.0 116.763 177.393 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 59.3 m -80.18 -27.77 38.86 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 118.206 1.003 . . . . 0.0 113.57 -178.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt -71.09 134.92 47.42 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 119.259 0.936 . . . . 0.0 110.694 -178.001 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.71 75.91 2.69 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 105.83 -1.915 . . . . 0.0 105.83 176.157 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -29.27 120.86 0.14 Allowed 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 126.741 2.016 . . . . 0.0 114.913 -175.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 90.9 mmm 16.83 -67.8 0.0 OUTLIER 'General case' 0 C--N 1.345 0.393 1 C-N-CA 132.587 4.355 . . . . 0.0 115.615 179.182 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -52.54 -28.82 30.26 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 123.387 0.517 . . . . 0.0 111.942 178.431 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 33.5 m 111.03 56.92 0.0 OUTLIER 'General case' 0 CA--C 1.523 -0.07 0 C-N-CA 131.62 3.968 . . . . 0.0 106.227 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.03 148.05 50.64 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 114.028 1.121 . . . . 0.0 114.028 -177.53 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.11 120.2 72.74 Favored Pre-proline 0 N--CA 1.451 -0.411 0 N-CA-C 101.583 -3.488 . . . . 0.0 101.583 173.087 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_exo -30.81 108.17 0.04 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 124.369 3.379 . . . . 0.0 112.672 -177.245 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 41.3 t -55.81 -32.96 33.31 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 -179.144 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.433 ' HA ' HD23 ' A' ' 79' ' ' LEU . 51.9 tttp -56.73 97.4 0.02 OUTLIER 'General case' 0 C--N 1.343 0.312 0 CA-C-O 122.423 1.106 . . . . 0.0 111.396 177.492 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 114.57 -3.86 23.2 Favored Glycine 0 C--N 1.32 -0.345 0 CA-C-N 114.295 -1.321 . . . . 0.0 113.03 177.169 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -63.42 147.09 52.19 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 106.556 -1.646 . . . . 0.0 106.556 177.478 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -77.31 141.28 25.67 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 120.755 -1.215 . . . . 0.0 114.186 -174.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.78 -48.68 10.91 Favored 'General case' 0 C--N 1.341 0.231 0 CA-C-N 119.605 1.703 . . . . 0.0 112.169 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.3 tp10 -60.9 -43.41 98.58 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -60.59 -60.23 4.14 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 124.568 1.147 . . . . 0.0 108.348 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 40.0 mt -47.97 -50.7 26.43 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 127.025 2.13 . . . . 0.0 109.592 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -64.99 -52.21 57.46 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 123.498 0.719 . . . . 0.0 112.288 -179.086 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -58.14 -40.79 82.25 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-O 121.565 0.698 . . . . 0.0 109.421 -178.587 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -68.77 -47.03 67.23 Favored 'General case' 0 N--CA 1.438 -1.036 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.434 -178.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 55.7 mtm -64.69 -35.1 79.94 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.001 178.331 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -60.95 -44.72 96.88 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 106.422 -1.696 . . . . 0.0 106.422 176.526 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -55.72 -53.27 42.84 Favored Glycine 0 CA--C 1.529 0.937 0 CA-C-O 119.087 -0.84 . . . . 0.0 111.278 177.215 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.401 ' CZ ' ' CE2' ' A' ' 49' ' ' TYR . 25.0 m-85 -62.13 -47.83 82.83 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 118.722 1.261 . . . . 0.0 109.548 179.661 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.32 -45.6 54.89 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 125.653 1.581 . . . . 0.0 109.858 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -90.5 6.56 42.98 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.634 0.774 . . . . 0.0 112.258 -178.254 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 54.63 32.96 54.35 Favored Glycine 0 CA--C 1.532 1.114 0 CA-C-N 118.976 0.807 . . . . 0.0 112.249 -178.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.6 t -111.73 17.96 19.39 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.234 1.414 . . . . 0.0 111.716 -178.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.401 ' CE2' ' CZ ' ' A' ' 44' ' ' TYR . 8.7 t80 -162.51 140.35 8.42 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 105.58 -2.008 . . . . 0.0 105.58 179.687 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 139.91 -174.06 22.59 Favored Glycine 0 C--N 1.334 0.429 0 CA-C-O 122.479 1.044 . . . . 0.0 113.128 178.54 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -173.82 -175.55 41.58 Favored Glycine 0 N--CA 1.425 -2.073 1 C-N-CA 132.409 4.814 . . . . 0.0 105.956 -178.739 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -45.34 -53.55 8.38 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 124.381 1.072 . . . . 0.0 111.541 -178.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.403 HH12 ' CGD' ' A' ' 80' ' ' HEM . 21.0 mtp-105 -56.36 -33.29 65.55 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.221 1.008 . . . . 0.0 110.901 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.418 ' HA ' ' HB2' ' A' ' 57' ' ' MET . 28.8 mtmt -99.68 10.83 40.65 Favored 'General case' 0 N--CA 1.432 -1.336 0 C-N-CA 126.324 1.85 . . . . 0.0 112.266 -178.148 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.97 -48.42 45.21 Favored 'General case' 0 C--O 1.232 0.165 0 N-CA-C 106.592 -1.632 . . . . 0.0 106.592 176.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.5 mpp? -55.42 -46.84 76.65 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 177.04 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.418 ' HB2' ' HA ' ' A' ' 54' ' ' LYS . 38.5 mmm -52.91 -57.36 10.54 Favored 'General case' 0 CA--C 1.517 -0.325 0 C-N-CA 124.23 1.012 . . . . 0.0 110.556 178.166 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 97.6 m -48.89 -53.78 18.1 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 179.356 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -56.74 -36.33 69.63 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 122.714 0.406 . . . . 0.0 111.192 178.048 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.35 -43.76 63.59 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 123.853 0.861 . . . . 0.0 112.863 -177.055 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.2 m -91.12 -26.79 5.04 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 CA-C-N 119.051 0.841 . . . . 0.0 111.814 -175.447 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -54.16 -27.33 32.99 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 119.256 0.934 . . . . 0.0 112.386 -177.341 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -77.61 -1.67 32.03 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 118.927 -0.559 . . . . 0.0 112.22 178.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 18.0 m-30 -110.07 149.13 30.46 Favored 'General case' 0 N--CA 1.442 -0.856 0 C-N-CA 126.289 1.836 . . . . 0.0 107.061 178.473 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 92.0 p -97.96 167.18 11.06 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 126.858 2.063 . . . . 0.0 110.286 -179.327 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -45.08 -48.1 11.92 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.196 0.998 . . . . 0.0 113.125 -179.504 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -60.27 -49.36 77.93 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 121.149 0.5 . . . . 0.0 110.085 -179.399 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -60.31 -50.97 71.51 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 46.6 mt -54.47 -49.33 70.33 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 124.398 1.079 . . . . 0.0 110.587 179.113 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -57.84 -45.88 85.58 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.07 -44.55 95.47 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 179.174 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.528 HD21 HMB3 ' A' ' 80' ' ' HEM . 12.0 tp -56.8 -51.24 69.7 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 123.76 0.824 . . . . 0.0 109.504 -179.561 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.11 -45.31 89.21 Favored 'General case' 0 C--O 1.226 -0.159 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -50.97 -46.25 61.13 Favored 'General case' 0 C--N 1.34 0.182 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 178.575 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -63.2 -62.63 1.56 Allowed 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 177.476 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.48 ' HA ' HD22 ' A' ' 79' ' ' LEU . 70.6 mtm -48.47 -30.17 4.87 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.1 t -59.71 -34.44 72.92 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 121.792 -0.567 . . . . 0.0 110.439 -179.672 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.4 pttm -97.13 -35.52 10.77 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 176.512 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.48 HD22 ' HA ' ' A' ' 76' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.134 0 C-N-CA 128.54 2.736 . . . . 0.0 110.929 178.555 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' HEM . . . . . 0.528 HMB3 HD21 ' A' ' 72' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.703 0 N-CA-C 106.693 -1.595 . . . . 0.0 106.693 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -58.8 146.21 37.9 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 106.562 -1.644 . . . . 0.0 106.562 176.501 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 75.61 78.12 0.68 Allowed Glycine 0 N--CA 1.441 -0.998 1 N-CA-C 101.116 -4.793 . . . . 0.0 101.116 -171.253 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 122.5 -38.58 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 130.615 3.566 . . . . 0.0 107.565 -174.026 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -84.79 -22.45 29.56 Favored 'General case' 0 C--N 1.346 0.45 0 C-N-CA 119.204 -0.998 . . . . 0.0 109.882 -177.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.438 ' C ' HD21 ' A' ' 72' ' ' LEU . 32.7 mt -83.29 -31.71 26.76 Favored 'General case' 0 N--CA 1.44 -0.953 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -179.403 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.481 ' HD1' HD22 ' A' ' 72' ' ' LEU . 1.8 t80 -79.82 -12.93 59.74 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 115.344 1.609 . . . . 0.0 115.344 -178.369 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -46.38 -40.41 11.97 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -177.381 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.3 p -70.57 -42.14 71.47 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 122.042 0.925 . . . . 0.0 111.8 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.8 m -62.74 -36.3 82.57 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 126.692 1.997 . . . . 0.0 108.937 -176.467 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -48.74 -30.97 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.591 0 CA-C-N 114.449 -1.25 . . . . 0.0 110.387 178.248 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -58.81 -37.05 89.69 Favored Glycine 0 CA--C 1.532 1.154 0 CA-C-O 119.43 -0.65 . . . . 0.0 113.102 179.303 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.9 t -96.33 -40.84 8.93 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 118.337 1.068 . . . . 0.0 110.893 -178.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.429 ' CE1' HG21 ' A' ' 29' ' ' VAL . 81.5 m-70 -80.09 -17.96 51.24 Favored 'General case' 0 N--CA 1.432 -1.37 0 C-N-CA 126.474 1.91 . . . . 0.0 114.562 -176.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.78 156.75 21.17 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.095 -1.202 . . . . 0.0 110.095 -179.217 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.25 -51.21 6.28 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.878 1.271 . . . . 0.0 112.432 -179.142 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -93.61 10.01 34.47 Favored 'General case' 0 N--CA 1.441 -0.895 0 C-N-CA 126.139 1.776 . . . . 0.0 113.892 -178.263 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 68.96 7.77 56.79 Favored Glycine 0 CA--C 1.529 0.928 0 CA-C-O 118.592 -1.115 . . . . 0.0 115.041 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.6 m -90.52 -11.2 40.89 Favored 'General case' 0 C--N 1.339 0.116 0 CA-C-N 118.902 1.351 . . . . 0.0 112.645 -178.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -71.87 118.68 15.02 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 106.154 -1.795 . . . . 0.0 106.154 179.093 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.98 84.03 0.32 Allowed 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 179.097 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.619 ' HB1' ' CHD' ' A' ' 80' ' ' HEM . . . -32.39 125.07 0.31 Allowed 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 128.587 2.755 . . . . 0.0 110.781 178.693 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 87.8 mmm 5.9 -70.98 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 129.732 3.213 . . . . 0.0 114.724 -177.277 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.74 41.98 0.86 Allowed Glycine 0 CA--C 1.537 1.461 0 CA-C-N 118.792 0.723 . . . . 0.0 112.638 178.029 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 34.8 m 50.24 55.67 9.1 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 127.246 2.219 . . . . 0.0 111.994 179.431 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.46 ' HB2' ' HB3' ' A' ' 22' ' ' ALA . . . -61.79 148.76 42.07 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 117.161 -1.816 . . . . 0.0 112.418 178.738 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.73 153.54 93.25 Favored Pre-proline 0 N--CA 1.445 -0.705 0 N-CA-C 103.494 -2.78 . . . . 0.0 103.494 174.173 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -52.69 114.69 1.81 Allowed 'Trans proline' 0 N--CA 1.454 -0.851 0 C-N-CA 121.438 1.425 . . . . 0.0 108.93 -179.641 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.429 HG21 ' CE1' ' A' ' 14' ' ' HIS . 52.1 t -66.36 -25.11 34.6 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 N-CA-C 107.888 -1.152 . . . . 0.0 107.888 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 51.0 tttp -43.7 86.23 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 127.451 2.3 . . . . 0.0 114.285 177.676 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 73.66 44.18 33.26 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-N 113.317 -1.765 . . . . 0.0 110.572 178.616 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.498 ' HB2' HD21 ' A' ' 37' ' ' LEU . 2.0 tt0 -51.22 -41.91 60.61 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 179.424 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -179.32 -107.25 0.21 Allowed Glycine 0 CA--C 1.534 1.224 0 C-N-CA 127.862 2.648 . . . . 0.0 108.133 172.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 172.46 -58.75 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 130.929 3.692 . . . . 0.0 102.322 176.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -63.57 -42.53 98.31 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 105.374 -2.084 . . . . 0.0 105.374 172.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -55.03 -67.0 0.31 Allowed 'General case' 0 C--N 1.342 0.281 0 C-N-CA 124.895 1.278 . . . . 0.0 108.529 177.268 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.498 HD21 ' HB2' ' A' ' 32' ' ' GLN . 39.0 mt -44.7 -49.2 10.58 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 126.154 1.781 . . . . 0.0 110.725 179.336 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -63.76 -52.27 61.14 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 123.639 0.776 . . . . 0.0 112.101 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -58.34 -41.48 84.71 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 -178.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -66.48 -49.68 65.8 Favored 'General case' 0 N--CA 1.438 -1.043 0 C-N-CA 123.382 0.673 . . . . 0.0 110.669 -178.629 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 61.3 mtm -64.1 -39.83 94.9 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-O 118.163 -0.922 . . . . 0.0 110.161 178.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -58.9 -43.19 90.97 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 106.76 -1.57 . . . . 0.0 106.76 176.624 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.01 -55.97 18.74 Favored Glycine 0 CA--C 1.528 0.856 0 N-CA-C 109.775 -1.33 . . . . 0.0 109.775 176.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -63.66 -47.03 82.91 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 118.683 1.241 . . . . 0.0 110.856 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -46.41 -50.47 16.64 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 126.177 1.791 . . . . 0.0 109.694 -179.397 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -92.05 14.02 17.12 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.631 1.173 . . . . 0.0 112.745 -178.577 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 52.17 33.52 38.13 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 124.6 1.095 . . . . 0.0 113.53 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.0 t -115.32 29.42 8.02 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.95 1.7 . . . . 0.0 111.641 -178.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 56.4 t80 -162.85 164.41 26.07 Favored 'General case' 0 C--O 1.232 0.134 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 178.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -160.2 -178.2 33.98 Favored Glycine 0 N--CA 1.445 -0.763 0 CA-C-O 121.779 0.655 . . . . 0.0 112.677 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 178.86 178.66 48.29 Favored Glycine 0 N--CA 1.422 -2.279 0 C-N-CA 130.504 3.907 . . . . 0.0 107.322 -178.249 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -48.38 -26.85 2.26 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.401 1.88 . . . . 0.0 114.047 -178.487 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.05 38.9 3.33 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 119.968 1.258 . . . . 0.0 110.401 178.483 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.41 -30.76 63.19 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 -178.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.76 -58.24 8.15 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 118.633 0.651 . . . . 0.0 109.744 -178.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.15 -48.64 78.21 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 178.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.2 mmm -54.36 -50.51 67.28 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 81.7 m -58.01 -48.87 78.75 Favored 'General case' 0 N--CA 1.452 -0.343 0 O-C-N 121.424 -0.797 . . . . 0.0 109.218 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -58.31 -37.09 74.37 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 178.506 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.19 -46.17 85.11 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 123.764 0.826 . . . . 0.0 112.219 -179.175 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.4 m -96.53 -26.2 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -174.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -57.66 -24.15 55.11 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 119.849 1.204 . . . . 0.0 112.314 -176.343 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.9 pttp -74.74 -2.17 25.24 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 119.089 -0.481 . . . . 0.0 111.508 177.34 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.416 ' CE2' HD11 ' A' ' 72' ' ' LEU . 17.6 m-85 -113.23 147.84 36.71 Favored 'General case' 0 N--CA 1.439 -1.002 0 C-N-CA 126.299 1.839 . . . . 0.0 108.311 179.107 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 91.2 p -97.92 167.31 10.99 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 127.558 2.343 . . . . 0.0 110.193 -179.713 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -40.69 -50.41 3.08 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.723 1.209 . . . . 0.0 113.485 -179.476 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -63.0 -47.2 84.17 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 121.055 0.455 . . . . 0.0 110.618 -178.335 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -61.28 -44.82 96.59 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 45.5 mt -59.83 -45.76 91.36 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.638 0.775 . . . . 0.0 109.411 178.442 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -60.57 -45.01 95.53 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.689 -0.632 . . . . 0.0 109.599 178.481 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.01 -45.32 95.31 Favored 'General case' 0 CA--C 1.521 -0.152 0 C-N-CA 123.497 0.719 . . . . 0.0 109.171 179.197 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.481 HD22 ' HD1' ' A' ' 7' ' ' TYR . 12.5 mt -58.94 -51.62 69.26 Favored 'General case' 0 N--CA 1.442 -0.845 0 O-C-N 122.303 -0.248 . . . . 0.0 111.039 178.643 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.0 -48.7 80.63 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 -178.195 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -53.06 -45.64 68.18 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 176.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 55.0 t80 -60.35 -59.85 4.75 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 178.677 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 56.7 mtm -49.34 -32.72 11.83 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.417 0.687 . . . . 0.0 112.543 177.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.1 t -56.96 -34.02 67.63 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 121.255 -0.903 . . . . 0.0 110.508 177.645 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? -113.59 44.78 1.53 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.11 1.364 . . . . 0.0 108.71 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 27.2 tp . . . . . 0 C--O 1.25 1.089 0 C-N-CA 125.19 1.396 . . . . 0.0 110.524 178.566 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 80' ' ' HEM . . . . . 0.619 ' CHD' ' HB1' ' A' ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.665 0 CA-C-O 117.221 -1.371 . . . . 0.0 107.596 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -61.53 133.7 56.0 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 119.671 1.123 . . . . 0.0 111.236 -179.685 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.52 -60.45 7.81 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 109.899 -1.281 . . . . 0.0 109.899 179.22 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -48.0 -46.78 33.23 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 117.522 0.661 . . . . 0.0 111.274 -179.543 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.53 -38.62 69.49 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-O 119.47 -0.3 . . . . 0.0 111.803 -179.505 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.426 ' HB2' HD21 ' A' ' 72' ' ' LEU . 67.5 mt -75.69 -50.99 13.74 Favored 'General case' 0 N--CA 1.435 -1.203 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 178.732 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.435 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 2.6 t80 -57.12 -22.6 41.12 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 -178.066 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -49.21 -34.86 15.73 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 119.232 0.924 . . . . 0.0 111.34 177.241 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.5 p -66.75 -34.48 77.92 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 121.453 -0.779 . . . . 0.0 112.518 179.122 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.435 ' SG ' ' HA ' ' A' ' 7' ' ' TYR . 3.7 m -76.87 -35.64 57.3 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 127.619 2.368 . . . . 0.0 109.875 -175.147 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -45.44 -32.37 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 C-N-CA 125.412 1.485 . . . . 0.0 111.397 179.475 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -53.93 -49.19 59.71 Favored Glycine 0 CA--C 1.533 1.159 0 N-CA-C 111.643 -0.583 . . . . 0.0 111.643 178.345 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.5 m -86.36 -42.64 13.5 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 117.585 0.692 . . . . 0.0 109.76 179.532 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.48 ' CE1' HG21 ' A' ' 29' ' ' VAL . 81.7 m-70 -66.92 -21.34 65.99 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -176.704 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 71.22 107.86 0.05 OUTLIER Glycine 0 CA--C 1.527 0.815 0 N-CA-C 115.795 1.078 . . . . 0.0 115.795 175.201 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 62.73 -65.0 0.1 Allowed 'General case' 0 C--N 1.342 0.27 0 C-N-CA 128.064 2.546 . . . . 0.0 111.74 177.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.6 p30 -127.3 -78.65 0.58 Allowed 'General case' 0 N--CA 1.421 -1.889 0 C-N-CA 129.442 3.097 . . . . 0.0 105.97 178.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -162.23 39.14 0.37 Allowed Glycine 0 CA--C 1.52 0.364 0 N-CA-C 107.364 -2.294 . . . . 0.0 107.364 178.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 79.2 p -86.74 -37.62 17.73 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.983 0.913 . . . . 0.0 112.288 -177.417 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -77.71 131.98 37.94 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 -179.477 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.09 78.22 1.73 Allowed 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 106.837 -1.542 . . . . 0.0 106.837 178.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -23.63 67.15 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 131.218 3.807 . . . . 0.0 120.457 -173.615 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 82.7 mmm 66.46 -54.15 0.42 Allowed 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 127.016 2.126 . . . . 0.0 112.327 176.547 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -92.06 35.72 3.91 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 109.607 -1.397 . . . . 0.0 109.607 177.073 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.0 m 52.5 49.85 19.53 Favored 'General case' 0 N--CA 1.445 -0.675 0 C-N-CA 124.775 1.23 . . . . 0.0 110.648 179.515 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.01 126.75 29.0 Favored 'General case' 0 C--N 1.345 0.385 0 C-N-CA 118.261 -1.376 . . . . 0.0 112.934 -178.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.71 126.22 82.31 Favored Pre-proline 0 CA--C 1.537 0.466 0 N-CA-C 102.884 -3.006 . . . . 0.0 102.884 174.166 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_endo -31.78 106.12 0.03 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 124.866 3.71 . . . . 0.0 114.014 -172.4 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.48 HG21 ' CE1' ' A' ' 14' ' ' HIS . 76.6 t -57.91 -30.27 37.89 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 178.048 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -47.14 89.67 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 127.021 2.128 . . . . 0.0 113.932 176.528 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 79.57 39.31 18.41 Favored Glycine 0 N--CA 1.444 -0.833 0 CA-C-N 112.083 -2.326 . . . . 0.0 111.296 177.346 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.417 ' HB2' HD21 ' A' ' 37' ' ' LEU . 5.2 mt-30 -57.43 -46.84 83.12 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 179.382 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 143.87 126.16 1.95 Allowed Glycine 0 C--O 1.213 -1.162 0 C-N-CA 127.044 2.259 . . . . 0.0 109.108 175.559 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.06 -51.16 18.26 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 122.077 2.938 . . . . 0.0 112.141 -178.009 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.3 tp10 -58.51 -45.86 87.92 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 179.21 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -56.8 -65.17 0.66 Allowed 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 124.832 1.253 . . . . 0.0 109.089 179.692 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.417 HD21 ' HB2' ' A' ' 32' ' ' GLN . 4.5 mt -51.47 -43.19 62.07 Favored 'General case' 0 N--CA 1.44 -0.927 0 C-N-CA 125.622 1.569 . . . . 0.0 111.096 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -67.11 -45.36 77.45 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 118.725 0.693 . . . . 0.0 110.873 -178.404 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -64.88 -41.88 95.26 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 -178.501 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -67.03 -50.38 62.21 Favored 'General case' 0 N--CA 1.441 -0.915 0 C-N-CA 123.323 0.649 . . . . 0.0 111.187 -178.437 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -65.27 -39.5 92.68 Favored 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 -179.243 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -60.64 -44.88 95.88 Favored 'General case' 0 C--N 1.34 0.16 0 N-CA-C 106.852 -1.536 . . . . 0.0 106.852 175.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -53.13 -50.18 52.8 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.362 -1.095 . . . . 0.0 110.362 177.102 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -64.94 -42.55 94.55 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 119.061 1.431 . . . . 0.0 109.672 178.196 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.88 -44.56 59.8 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.171 0.988 . . . . 0.0 109.824 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.6 p30 -99.03 10.94 40.44 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.45 0.7 . . . . 0.0 112.667 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.84 20.89 60.33 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 124.86 1.219 . . . . 0.0 115.578 179.301 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.4 t -104.89 36.47 2.44 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 119.616 1.708 . . . . 0.0 111.683 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -155.55 162.71 40.62 Favored 'General case' 0 CA--C 1.528 0.107 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 178.261 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -139.24 -174.86 13.75 Favored Glycine 0 C--N 1.338 0.642 0 C-N-CA 123.388 0.518 . . . . 0.0 113.525 -178.007 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 161.5 176.87 34.06 Favored Glycine 0 N--CA 1.427 -1.965 0 C-N-CA 128.726 3.06 . . . . 0.0 108.451 -177.479 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -55.19 -46.22 75.85 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 126.145 1.778 . . . . 0.0 112.13 -179.462 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -118.02 36.38 4.36 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 118.235 0.47 . . . . 0.0 109.84 179.419 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -50.51 -34.49 25.43 Favored 'General case' 0 N--CA 1.439 -0.984 0 C-N-CA 124.175 0.99 . . . . 0.0 112.659 -179.439 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.55 -53.64 39.24 Favored 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 123.258 0.623 . . . . 0.0 110.131 -179.29 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 89.2 mmm -57.49 -44.49 85.0 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 179.009 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.9 mmm -55.98 -61.0 2.67 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.676 178.561 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 85.9 m -48.11 -46.38 33.96 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.864 1.266 . . . . 0.0 109.513 177.21 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -43.28 88.73 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 118.339 0.518 . . . . 0.0 110.482 178.088 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.49 -31.06 66.7 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.0 0.52 . . . . 0.0 112.185 -178.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 53.3 t -89.95 -47.94 14.58 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 N-CA-C 116.88 2.178 . . . . 0.0 116.88 -174.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -48.42 -29.95 4.57 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 -174.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -65.59 -19.43 65.91 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -79.75 -169.81 2.12 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-O 123.961 1.839 . . . . 0.0 110.643 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 51.3 m -152.72 158.41 42.28 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 127.597 2.359 . . . . 0.0 107.575 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -34.04 -51.84 0.43 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 126.262 1.825 . . . . 0.0 114.244 -176.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.32 -52.14 66.92 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.231 0.539 . . . . 0.0 109.865 -179.5 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -58.25 -46.45 85.96 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 123.671 0.788 . . . . 0.0 109.375 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 48.2 mt -58.13 -48.0 81.56 Favored 'General case' 0 N--CA 1.457 -0.087 0 C-N-CA 122.698 0.399 . . . . 0.0 110.535 178.601 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -60.97 -44.03 97.92 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 122.911 0.485 . . . . 0.0 109.739 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.94 -44.24 93.43 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.463 HD23 ' HA ' ' A' ' 72' ' ' LEU . 11.4 mt -59.35 -60.81 3.26 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-O 118.499 -0.762 . . . . 0.0 109.485 178.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.39 -42.12 73.57 Favored 'General case' 0 C--O 1.226 -0.162 0 CA-C-N 118.751 0.705 . . . . 0.0 110.493 -178.061 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -53.59 -49.75 67.11 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 178.141 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -62.39 -58.74 6.57 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 177.651 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.9 mtp -50.13 -29.38 8.99 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 114.065 1.135 . . . . 0.0 114.065 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.1 t -65.06 -29.68 70.59 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 120.832 -1.168 . . . . 0.0 110.75 178.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.7 pttm -114.95 38.73 3.07 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.606 1.562 . . . . 0.0 109.81 178.513 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.4 tp . . . . . 0 C--O 1.249 1.078 0 C-N-CA 126.836 2.055 . . . . 0.0 111.048 179.97 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 80' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.584 0 CA-C-O 117.592 -1.194 . . . . 0.0 107.79 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -61.12 127.16 30.19 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 119.225 0.92 . . . . 0.0 112.044 -178.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.18 -51.87 55.91 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.771 -0.932 . . . . 0.0 110.771 178.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.47 -44.52 69.02 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 118.209 1.004 . . . . 0.0 110.791 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.35 -50.49 71.39 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 119.624 -0.227 . . . . 0.0 110.615 179.499 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 46.5 mt -57.32 -45.39 84.29 Favored 'General case' 0 N--CA 1.439 -0.986 0 CA-C-N 118.577 0.626 . . . . 0.0 110.036 -179.39 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.467 ' N ' HD21 ' A' ' 72' ' ' LEU . 2.5 t80 -61.33 -13.2 17.56 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 114.135 1.161 . . . . 0.0 114.135 -177.65 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 61.3 mttm -56.49 -34.03 66.56 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 120.938 -1.101 . . . . 0.0 110.499 177.519 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.424 ' OG ' HBB1 ' A' ' 80' ' ' HEM . 25.0 p -68.99 -6.64 29.06 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 179.201 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.6 m -109.63 -38.3 5.45 Favored 'General case' 0 CA--C 1.516 -0.346 0 C-N-CA 126.491 1.916 . . . . 0.0 110.818 -174.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.1 mp -45.93 -31.11 1.16 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 C-N-CA 125.187 1.395 . . . . 0.0 111.173 178.574 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -52.31 -42.85 56.9 Favored Glycine 0 CA--C 1.536 1.358 0 CA-C-N 118.677 0.671 . . . . 0.0 111.916 177.387 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.2 m -96.59 -46.35 6.36 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 117.736 0.768 . . . . 0.0 109.967 179.043 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.417 ' CE1' HG21 ' A' ' 29' ' ' VAL . 84.0 m-70 -63.81 -25.0 67.98 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.882 0.873 . . . . 0.0 112.872 -177.174 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 70.76 107.52 0.04 OUTLIER Glycine 0 CA--C 1.526 0.747 0 C-N-CA 123.983 0.801 . . . . 0.0 115.056 176.108 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 58.94 -67.35 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 127.801 2.44 . . . . 0.0 113.442 177.131 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -157.39 68.54 0.54 Allowed 'General case' 0 N--CA 1.438 -1.028 0 C-N-CA 127.151 2.18 . . . . 0.0 107.289 179.148 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 56.04 28.16 53.0 Favored Glycine 0 CA--C 1.526 0.765 0 C-N-CA 123.976 0.798 . . . . 0.0 113.938 179.307 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 89.2 p -76.19 -29.58 57.7 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 118.132 0.966 . . . . 0.0 111.016 -179.059 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -94.52 132.53 39.1 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 121.126 0.489 . . . . 0.0 110.473 -178.717 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.44 82.07 1.44 Allowed 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 104.791 -2.3 . . . . 0.0 104.791 175.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -37.35 130.36 0.94 Allowed 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 115.117 1.525 . . . . 0.0 115.117 -175.024 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 22.2 mmt 14.91 -49.74 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.648 1 C-N-CA 134.554 5.142 . . . . 0.0 118.239 178.252 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.01 -28.5 70.37 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 176.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.0 m 109.86 53.8 0.0 OUTLIER 'General case' 0 N--CA 1.455 -0.175 1 C-N-CA 132.019 4.128 . . . . 0.0 104.224 -177.279 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.22 138.77 37.82 Favored 'General case' 0 N--CA 1.444 -0.755 0 N-CA-C 115.228 1.566 . . . . 0.0 115.228 -175.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.7 mtmm -60.48 117.52 25.42 Favored Pre-proline 0 N--CA 1.449 -0.478 0 N-CA-C 102.16 -3.274 . . . . 0.0 102.16 173.516 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -32.73 104.34 0.03 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.732 0 C-N-CA 123.97 3.113 . . . . 0.0 113.011 -176.477 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.417 HG21 ' CE1' ' A' ' 14' ' ' HIS . 95.9 t -54.99 -33.03 27.97 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.732 0 N-CA-C 107.053 -1.462 . . . . 0.0 107.053 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.5 tttp -58.55 80.36 0.01 OUTLIER 'General case' 0 C--N 1.344 0.36 0 C-N-CA 127.497 2.319 . . . . 0.0 111.522 176.379 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 131.84 -6.33 5.47 Favored Glycine 0 CA--C 1.521 0.447 0 CA-C-N 114.356 -1.293 . . . . 0.0 113.205 177.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -64.45 147.92 51.66 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 119.07 1.435 . . . . 0.0 107.441 178.396 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -40.07 -101.99 0.01 OUTLIER Glycine 0 CA--C 1.541 1.697 0 N-CA-C 118.983 2.353 . . . . 0.0 118.983 -174.174 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.444 ' HA ' HD12 ' A' ' 37' ' ' LEU . . . 177.68 -60.83 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 128.539 2.735 . . . . 0.0 105.481 179.108 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -59.92 -38.62 82.87 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 107.14 -1.43 . . . . 0.0 107.14 175.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -56.79 -65.19 0.66 Allowed 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 126.627 1.971 . . . . 0.0 107.936 177.52 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' A' ' 34' ' ' ALA . 19.5 mt -46.42 -49.31 18.28 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 125.997 1.719 . . . . 0.0 109.954 179.641 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -62.23 -52.94 61.74 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 125.275 1.43 . . . . 0.0 112.532 -179.561 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.9 mttp -59.19 -41.82 89.41 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-N 118.77 0.714 . . . . 0.0 109.433 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -67.29 -44.72 78.56 Favored 'General case' 0 N--CA 1.438 -1.036 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.991 -178.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 57.2 mtm -64.08 -40.76 96.96 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-O 118.518 -0.753 . . . . 0.0 109.334 177.22 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -58.46 -44.0 89.11 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 177.299 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.63 -40.59 94.89 Favored Glycine 0 CA--C 1.532 1.142 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 177.165 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -75.85 -32.96 59.98 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 119.029 1.414 . . . . 0.0 111.265 178.419 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.14 -50.47 20.24 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 125.417 1.487 . . . . 0.0 108.581 -179.291 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -89.23 -40.11 13.07 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 122.919 0.487 . . . . 0.0 109.73 177.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 116.02 14.64 7.71 Favored Glycine 0 CA--C 1.532 1.148 0 C-N-CA 124.967 1.27 . . . . 0.0 112.71 179.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.2 t -75.0 -23.54 58.25 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 118.417 1.109 . . . . 0.0 110.986 179.029 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -99.35 152.94 19.39 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 107.133 -1.432 . . . . 0.0 107.133 177.544 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -127.77 -174.94 13.91 Favored Glycine 0 C--N 1.338 0.647 0 N-CA-C 114.675 0.63 . . . . 0.0 114.675 -177.307 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 165.12 173.68 33.99 Favored Glycine 0 N--CA 1.427 -1.946 0 C-N-CA 129.019 3.199 . . . . 0.0 108.348 -178.439 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -57.54 -28.07 63.19 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 124.818 1.247 . . . . 0.0 112.35 -179.256 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 70.5 mmt-85 -128.13 37.52 4.15 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 178.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -53.87 -37.46 63.72 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -178.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.13 -48.47 79.99 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 118.302 0.501 . . . . 0.0 110.674 -179.096 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -61.71 -43.33 99.06 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 179.092 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 31.5 mmm -58.08 -59.56 5.09 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 109.641 -0.504 . . . . 0.0 109.641 178.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 30.8 m -48.9 -46.6 43.01 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.278 1.031 . . . . 0.0 109.532 176.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -58.81 -42.37 88.99 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 118.886 0.766 . . . . 0.0 110.927 178.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.35 -30.86 65.11 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -179.562 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 76.1 t -90.73 -43.46 14.4 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 N-CA-C 115.433 1.642 . . . . 0.0 115.433 -174.607 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -51.44 -28.83 14.11 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.366 1.066 . . . . 0.0 113.003 -176.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -64.8 -22.01 66.9 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 178.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -88.64 -168.95 2.36 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-O 123.37 1.557 . . . . 0.0 110.678 -179.385 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 25.2 m -159.56 160.48 34.51 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 127.473 2.309 . . . . 0.0 107.825 -177.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -27.53 -54.83 0.09 Allowed 'General case' 0 C--O 1.225 -0.187 0 C-N-CA 126.702 2.001 . . . . 0.0 115.234 -177.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.05 -52.94 62.82 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-O 121.395 0.616 . . . . 0.0 110.009 -178.036 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -59.12 -47.58 84.76 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 123.866 0.866 . . . . 0.0 109.869 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 62.5 mt -60.3 -47.29 86.64 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.2 0.6 . . . . 0.0 110.703 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -61.81 -45.61 93.08 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 179.244 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.45 -44.46 97.08 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 -179.517 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.467 HD21 ' N ' ' A' ' 7' ' ' TYR . 12.6 mt -57.14 -60.32 3.79 Favored 'General case' 0 N--CA 1.442 -0.834 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 178.16 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.62 -46.65 63.7 Favored 'General case' 0 N--CA 1.453 -0.298 0 O-C-N 123.042 0.214 . . . . 0.0 110.978 -178.278 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -54.43 -41.28 69.17 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 176.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -67.43 -55.88 11.89 Favored 'General case' 0 C--N 1.34 0.171 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 176.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.7 mpp? -50.78 -30.91 15.35 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 119.074 0.852 . . . . 0.0 112.577 178.395 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.5 t -55.48 -30.75 61.18 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 120.65 -1.281 . . . . 0.0 111.516 177.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 44.3 mttp -103.67 28.81 6.23 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.972 1.309 . . . . 0.0 110.324 -179.226 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 14.4 tp . . . . . 0 C--O 1.25 1.08 0 C-N-CA 124.963 1.305 . . . . 0.0 110.636 -178.327 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 80' ' ' HEM . . . . . 0.424 HBB1 ' OG ' ' A' ' 9' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.649 0 CA-C-O 117.624 -1.179 . . . . 0.0 107.954 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -42.98 114.81 0.65 Allowed 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 125.37 1.468 . . . . 0.0 111.442 -179.295 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -48.11 -52.01 18.5 Favored Glycine 0 CA--C 1.524 0.598 0 C-N-CA 123.83 0.728 . . . . 0.0 111.474 -179.102 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.43 -30.59 41.29 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 113.124 0.786 . . . . 0.0 113.124 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -84.11 -16.38 43.87 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 118.417 0.553 . . . . 0.0 110.906 -178.11 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 78.0 mt -91.53 -49.23 6.42 Favored 'General case' 0 N--CA 1.438 -1.038 0 N-CA-C 106.59 -1.633 . . . . 0.0 106.59 177.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.419 ' HD1' HD22 ' A' ' 72' ' ' LEU . 1.6 t80 -62.08 -17.89 58.96 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 114.387 1.255 . . . . 0.0 114.387 -177.221 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.4 pttm -52.41 -35.36 51.67 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 119.356 0.98 . . . . 0.0 110.407 177.139 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.67 -10.11 59.41 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.679 1.592 . . . . 0.0 112.962 -178.789 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.3 m -107.6 -33.68 7.24 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 127.728 2.411 . . . . 0.0 110.144 -177.061 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -45.92 -30.3 1.04 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 126.096 1.759 . . . . 0.0 110.301 177.591 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -56.13 -44.93 88.61 Favored Glycine 0 CA--C 1.537 1.433 0 O-C-N 121.446 -0.784 . . . . 0.0 111.843 177.513 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.3 m -90.68 -39.11 12.64 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 117.859 0.83 . . . . 0.0 110.669 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 -83.88 -16.46 44.29 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 115.565 1.691 . . . . 0.0 115.565 -175.616 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.86 156.05 26.72 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 110.36 -1.096 . . . . 0.0 110.36 -178.475 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -29.37 -61.94 0.13 Allowed 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 127.429 2.292 . . . . 0.0 114.129 -178.251 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.8 p-10 -111.31 47.83 0.98 Allowed 'General case' 0 N--CA 1.431 -1.376 0 C-N-CA 127.285 2.234 . . . . 0.0 109.31 -179.292 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 38.07 31.05 0.09 OUTLIER Glycine 0 CA--C 1.532 1.13 0 C-N-CA 126.863 2.173 . . . . 0.0 115.437 179.536 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.8 p -82.39 -26.16 33.09 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 127.168 2.187 . . . . 0.0 113.335 -178.079 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.5 ttmm -72.7 130.41 40.46 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 121.245 0.545 . . . . 0.0 110.594 -177.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.43 80.47 1.91 Allowed 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 104.999 -2.223 . . . . 0.0 104.999 175.355 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -40.3 133.55 1.8 Allowed 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 115.067 1.506 . . . . 0.0 115.067 -175.236 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.4 mmt 20.31 -75.2 0.0 OUTLIER 'General case' 0 C--N 1.342 0.282 1 C-N-CA 131.781 4.033 . . . . 0.0 115.723 179.089 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -52.73 -36.61 49.61 Favored Glycine 0 CA--C 1.528 0.89 0 N-CA-C 111.611 -0.595 . . . . 0.0 111.611 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 73.6 m 122.18 57.36 0.0 OUTLIER 'General case' 0 CA--C 1.528 0.105 1 C-N-CA 131.933 4.093 . . . . 0.0 106.348 -179.276 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.19 145.94 16.26 Favored 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 114.743 1.386 . . . . 0.0 114.743 -177.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -65.8 115.05 19.0 Favored Pre-proline 0 N--CA 1.447 -0.619 0 N-CA-C 100.395 -3.928 . . . . 0.0 100.395 172.449 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -34.1 119.64 0.12 Allowed 'Trans proline' 0 N--CA 1.456 -0.716 0 C-N-CA 123.469 2.78 . . . . 0.0 112.416 -175.167 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.7 t -57.09 -46.13 84.34 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 N-CA-C 105.231 -2.137 . . . . 0.0 105.231 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.1 tttp -51.21 113.78 1.03 Allowed 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 123.844 0.858 . . . . 0.0 110.917 173.475 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 113.53 -24.24 12.51 Favored Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 109.979 -1.249 . . . . 0.0 109.979 178.439 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -66.46 142.13 57.67 Favored 'General case' 0 N--CA 1.437 -1.104 0 N-CA-C 106.85 -1.537 . . . . 0.0 106.85 178.321 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -84.15 148.05 24.01 Favored Glycine 0 CA--C 1.526 0.759 0 CA-C-O 118.953 -0.915 . . . . 0.0 112.655 -176.368 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.48 -49.26 13.74 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-N 119.329 1.565 . . . . 0.0 112.291 -179.173 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.9 tp10 -59.9 -41.68 92.17 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 120.869 0.366 . . . . 0.0 110.048 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -60.97 -61.86 2.27 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 125.374 1.47 . . . . 0.0 108.295 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 34.7 mt -48.63 -45.96 39.16 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 126.874 2.07 . . . . 0.0 110.003 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -70.03 -47.49 61.88 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 123.641 0.776 . . . . 0.0 111.891 -178.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -60.21 -42.0 94.24 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 179.281 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -65.27 -52.3 55.23 Favored 'General case' 0 N--CA 1.436 -1.15 0 C-N-CA 123.517 0.727 . . . . 0.0 110.057 -179.443 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 43.6 mtm -60.57 -42.63 97.06 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 118.732 -0.651 . . . . 0.0 110.368 178.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.2 ttpm? -56.76 -44.03 81.36 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 178.101 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -60.85 -48.17 87.61 Favored Glycine 0 CA--C 1.529 0.952 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 176.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -63.85 -33.06 74.83 Favored 'General case' 0 C--N 1.342 0.249 0 CA-C-N 118.947 1.373 . . . . 0.0 110.634 179.126 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.12 -44.41 71.29 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.907 1.283 . . . . 0.0 107.767 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -88.64 -35.69 16.68 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 119.444 -0.312 . . . . 0.0 110.892 179.204 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 118.3 -2.56 16.28 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 125.588 1.566 . . . . 0.0 115.138 178.226 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 59.6 p -67.52 -58.71 4.23 Favored 'General case' 0 N--CA 1.431 -1.417 0 CA-C-N 120.071 1.936 . . . . 0.0 112.522 -178.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -63.74 145.79 55.09 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -128.75 -178.41 15.35 Favored Glycine 0 C--N 1.337 0.61 0 CA-C-O 121.972 0.762 . . . . 0.0 114.78 -177.295 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 175.05 173.06 40.53 Favored Glycine 0 N--CA 1.423 -2.17 0 C-N-CA 129.437 3.399 . . . . 0.0 108.157 -178.732 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -45.42 -40.21 7.91 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 127.554 2.341 . . . . 0.0 112.783 -179.255 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 68.9 mmt-85 -128.38 41.44 3.49 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.125 0.97 . . . . 0.0 109.721 179.698 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -51.52 -37.86 51.37 Favored 'General case' 0 C--O 1.223 -0.326 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -179.146 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.95 -49.19 78.67 Favored 'General case' 0 N--CA 1.456 -0.146 0 O-C-N 122.109 -0.369 . . . . 0.0 110.648 -178.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -60.37 -42.69 96.34 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 179.393 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.0 mmm -58.45 -60.49 3.71 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.765 178.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 31.3 m -47.43 -46.87 26.83 Favored 'General case' 0 C--O 1.224 -0.253 0 C-N-CA 124.337 1.055 . . . . 0.0 109.109 176.425 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -56.25 -36.58 68.69 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 118.447 0.567 . . . . 0.0 111.432 178.258 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -81.41 -35.18 31.02 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 118.476 0.58 . . . . 0.0 112.33 -178.7 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 77.1 t -82.72 -49.08 17.37 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 C-N-CA 127.295 2.238 . . . . 0.0 114.729 -176.262 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -63.69 71.93 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 126.752 2.021 . . . . 0.0 112.027 -176.364 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -173.46 -37.32 0.01 OUTLIER 'General case' 0 N--CA 1.44 -0.952 0 C-N-CA 128.924 2.89 . . . . 0.0 108.356 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -74.8 142.77 44.21 Favored 'General case' 0 N--CA 1.434 -1.256 0 CA-C-O 122.909 1.337 . . . . 0.0 109.219 179.159 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 63.4 p -78.39 167.78 20.82 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 112.466 -2.152 . . . . 0.0 108.658 177.479 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -55.47 -37.72 68.13 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 122.708 0.403 . . . . 0.0 110.21 177.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -65.6 -55.85 15.41 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.714 1.206 . . . . 0.0 109.311 178.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -56.05 -46.53 78.89 Favored 'General case' 0 CA--C 1.531 0.234 0 O-C-N 122.161 -0.337 . . . . 0.0 110.273 179.44 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 28.2 mt -58.64 -46.77 86.38 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.189 0.595 . . . . 0.0 109.53 178.671 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -60.63 -43.77 97.12 Favored 'General case' 0 CA--C 1.53 0.188 0 O-C-N 121.961 -0.462 . . . . 0.0 109.978 179.144 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.59 -44.11 97.13 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 -179.654 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.467 HD23 ' HA ' ' A' ' 72' ' ' LEU . 12.3 mt -59.9 -52.12 66.77 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 178.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.6 -43.14 89.44 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 -179.302 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -55.02 -51.04 67.52 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 178.164 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -59.32 -57.07 14.6 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 119.086 -0.483 . . . . 0.0 110.017 179.019 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.47 ' SD ' HMA3 ' A' ' 80' ' ' HEM . 58.9 mtm -49.14 -39.91 30.6 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 118.992 0.815 . . . . 0.0 112.163 177.636 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.9 t -64.24 -8.56 13.04 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 117.938 -1.03 . . . . 0.0 113.254 -179.058 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -86.39 -13.3 46.75 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 119.523 1.056 . . . . 0.0 110.175 177.045 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.2 mp . . . . . 0 C--O 1.249 1.063 0 CA-C-O 117.657 -1.164 . . . . 0.0 109.297 178.089 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 80' ' ' HEM . . . . . 0.47 HMA3 ' SD ' ' A' ' 76' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.617 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -42.92 120.33 1.75 Allowed 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.062 1.345 . . . . 0.0 112.16 -178.877 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -52.81 -56.01 20.52 Favored Glycine 0 C--N 1.337 0.589 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.502 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -50.16 -46.59 54.27 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 117.457 0.629 . . . . 0.0 111.351 179.758 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.23 -48.56 81.23 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 119.483 -0.294 . . . . 0.0 110.611 -179.341 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.4 mt -61.82 -47.83 83.31 Favored 'General case' 0 N--CA 1.44 -0.959 0 CA-C-N 118.54 0.609 . . . . 0.0 109.379 179.732 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -57.26 -19.4 21.33 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 113.944 1.09 . . . . 0.0 113.944 -177.879 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.6 mtpt -50.33 -41.11 50.76 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 119.663 1.119 . . . . 0.0 110.954 177.878 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.2 p -63.67 -29.45 70.68 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -179.84 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.4 m -85.39 -36.05 20.95 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 126.884 2.073 . . . . 0.0 109.903 -175.821 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -46.83 -32.94 1.97 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 C-N-CA 125.907 1.683 . . . . 0.0 110.692 179.512 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -53.87 -41.08 66.52 Favored Glycine 0 CA--C 1.534 1.276 0 O-C-N 121.911 -0.493 . . . . 0.0 112.139 178.183 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.8 m -96.58 -47.51 5.9 Favored 'General case' 0 N--CA 1.463 0.175 0 C-N-CA 123.663 0.785 . . . . 0.0 110.138 179.476 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 87.5 m-70 -70.4 -13.47 62.15 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 124.503 1.121 . . . . 0.0 114.002 -177.09 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 78.69 165.15 27.84 Favored Glycine 0 N--CA 1.446 -0.691 0 CA-C-O 122.221 0.901 . . . . 0.0 112.279 179.065 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.22 101.84 0.06 Allowed 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 114.158 -1.021 . . . . 0.0 110.812 -179.496 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.9 t70 78.77 37.77 0.15 Allowed 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 127.111 2.164 . . . . 0.0 110.116 176.73 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 60.12 20.48 54.21 Favored Glycine 0 CA--C 1.527 0.813 0 C-N-CA 124.241 0.924 . . . . 0.0 114.529 178.214 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.0 m -71.4 -25.04 62.18 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 -177.569 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 41.5 tttp -90.79 140.87 29.38 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 122.282 1.039 . . . . 0.0 112.224 -177.456 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.81 88.97 1.8 Allowed 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 103.568 -2.753 . . . . 0.0 103.568 173.439 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -42.63 132.84 3.59 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 -175.567 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 26.0 mmt 16.93 -77.66 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 131.19 3.796 . . . . 0.0 115.593 179.423 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -49.08 -35.53 19.09 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 123.6 0.619 . . . . 0.0 111.99 179.784 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 68.6 m 120.15 59.39 0.0 OUTLIER 'General case' 0 N--CA 1.457 -0.098 1 C-N-CA 132.532 4.333 . . . . 0.0 106.895 179.379 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.3 152.22 17.92 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 -178.901 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.1 mtmm -64.88 118.09 45.36 Favored Pre-proline 0 N--CA 1.45 -0.474 0 N-CA-C 100.594 -3.854 . . . . 0.0 100.594 171.514 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -33.48 110.62 0.05 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 123.715 2.943 . . . . 0.0 111.406 -176.805 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 42.5 t -54.51 -39.51 45.72 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 N-CA-C 106.329 -1.73 . . . . 0.0 106.329 -178.376 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.6 tttp -59.62 94.51 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 122.251 1.024 . . . . 0.0 109.534 173.554 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 138.25 -32.4 2.34 Favored Glycine 0 N--CA 1.444 -0.803 0 CA-C-N 113.825 -1.534 . . . . 0.0 112.173 179.044 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . 0.274 0.6 OUTLIER -69.77 148.21 49.46 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 119.589 1.694 . . . . 0.0 110.092 -178.851 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -86.96 150.22 22.81 Favored Glycine 0 CA--C 1.526 0.753 0 C-N-CA 124.559 1.076 . . . . 0.0 115.122 -174.178 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -46.08 -50.66 14.98 Favored 'General case' 0 CA--C 1.515 -0.382 0 C-N-CA 127.303 2.241 . . . . 0.0 112.495 -178.084 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -56.22 -47.82 77.66 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 -179.684 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -59.59 -60.66 3.49 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 124.086 0.954 . . . . 0.0 108.587 179.687 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 15.7 mt -50.97 -42.94 60.38 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 125.324 1.449 . . . . 0.0 112.087 -179.232 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -72.18 -44.13 63.48 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 123.732 0.813 . . . . 0.0 110.637 -178.58 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -61.8 -42.23 98.74 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 -179.517 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -69.85 -44.9 68.94 Favored 'General case' 0 N--CA 1.436 -1.175 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.532 -178.366 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 56.7 mtm -65.36 -40.62 93.81 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 118.929 0.786 . . . . 0.0 109.871 177.389 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -58.84 -39.33 80.93 Favored 'General case' 0 CA--C 1.528 0.115 0 N-CA-C 107.011 -1.477 . . . . 0.0 107.011 176.776 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.78 -64.18 4.6 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 109.057 -1.617 . . . . 0.0 109.057 176.073 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -55.1 -36.06 65.29 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 118.132 0.966 . . . . 0.0 112.127 -179.19 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -48.64 -41.77 32.21 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.813 1.245 . . . . 0.0 109.097 179.376 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -114.04 25.52 11.07 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.575 1.15 . . . . 0.0 111.134 179.538 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 50.95 27.14 12.68 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 125.043 1.306 . . . . 0.0 113.988 -179.836 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 33.9 t -100.7 32.12 3.25 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.684 1.594 . . . . 0.0 111.719 -178.151 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -161.64 159.37 27.41 Favored 'General case' 0 C--O 1.232 0.172 0 N-CA-C 105.931 -1.878 . . . . 0.0 105.931 177.139 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -134.38 -175.1 13.73 Favored Glycine 0 C--N 1.338 0.676 0 CA-C-O 122.221 0.9 . . . . 0.0 115.212 -177.547 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 170.42 174.14 38.23 Favored Glycine 0 N--CA 1.424 -2.112 0 C-N-CA 130.064 3.697 . . . . 0.0 107.062 -178.519 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -46.64 -43.89 17.94 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 125.454 1.502 . . . . 0.0 110.235 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.7 ptm85 -127.58 49.17 2.15 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 121.496 0.665 . . . . 0.0 110.705 179.01 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -45.43 -37.51 5.19 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.22 1.408 . . . . 0.0 111.675 177.475 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.81 -50.68 67.98 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.664 1.186 . . . . 0.0 110.707 -179.124 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -44.0 95.03 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 178.828 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 20.4 mmm -56.42 -58.76 6.64 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.375 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 92.8 m -47.82 -43.66 28.18 Favored 'General case' 0 C--O 1.222 -0.36 0 C-N-CA 125.257 1.423 . . . . 0.0 109.32 176.114 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -63.59 -40.09 96.05 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 119.116 0.871 . . . . 0.0 110.542 179.039 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.8 -33.17 68.34 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.096 0.558 . . . . 0.0 112.014 -179.571 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 73.3 t -87.33 -48.96 15.09 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 C-N-CA 126.674 1.99 . . . . 0.0 114.618 -176.065 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.8 ttpp -68.89 70.12 0.19 Allowed 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 126.25 1.82 . . . . 0.0 111.134 -177.466 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.9 ptmm? -167.16 -30.69 0.02 OUTLIER 'General case' 0 N--CA 1.441 -0.885 0 C-N-CA 130.197 3.399 . . . . 0.0 107.866 179.787 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -76.04 -169.13 1.05 Allowed 'General case' 0 N--CA 1.44 -0.958 0 CA-C-O 123.935 1.826 . . . . 0.0 109.107 176.367 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.9 m -153.02 162.27 41.53 Favored 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 128.232 2.613 . . . . 0.0 106.924 179.274 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -33.09 -52.36 0.34 Allowed 'General case' 0 C--O 1.226 -0.171 0 C-N-CA 125.753 1.621 . . . . 0.0 114.217 -177.724 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -60.39 -50.96 71.53 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-O 120.774 0.321 . . . . 0.0 110.561 -178.023 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.2 mp0 -61.05 -46.26 91.41 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.327 0.651 . . . . 0.0 109.532 178.981 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 57.1 mt -59.12 -48.81 80.25 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-N 118.185 0.448 . . . . 0.0 110.339 179.806 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 24.4 ttpp -61.45 -41.89 97.91 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 123.621 0.768 . . . . 0.0 109.909 179.56 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.1 -46.21 82.0 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 -179.468 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.8 mt -58.44 -59.23 5.69 Favored 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 178.635 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.38 -39.9 67.64 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 118.763 -0.637 . . . . 0.0 110.318 -178.234 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -57.87 -49.49 76.53 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 177.476 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -59.97 -60.02 4.5 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 178.169 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.3 mpp? -50.1 -35.16 24.43 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.258 -0.901 . . . . 0.0 113.228 178.297 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.2 t -69.76 -20.81 63.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 117.322 -1.323 . . . . 0.0 113.144 -179.927 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -90.61 3.38 54.27 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 119.99 1.268 . . . . 0.0 110.376 178.209 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 84.0 mt . . . . . 0 C--O 1.251 1.16 0 CA-C-O 117.215 -1.374 . . . . 0.0 109.465 177.679 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 80' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.619 0 CA-C-O 117.491 -1.242 . . . . 0.0 107.809 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -61.23 128.61 37.25 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 119.258 0.935 . . . . 0.0 112.136 -178.77 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.52 -54.38 37.63 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 179.156 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.91 -45.34 67.52 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 117.769 0.784 . . . . 0.0 110.91 -179.738 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.91 -50.14 74.61 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 110.345 -0.243 . . . . 0.0 110.345 179.94 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 46.9 mt -58.02 -46.52 85.17 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-N 118.37 0.532 . . . . 0.0 109.931 -179.816 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.416 ' N ' HD21 ' A' ' 72' ' ' LEU . 2.1 t80 -60.19 -15.89 28.24 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 114.185 1.18 . . . . 0.0 114.185 -177.868 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.2 mtpt -52.58 -40.58 62.76 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 119.73 1.15 . . . . 0.0 110.872 178.51 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.5 p -63.39 -23.27 67.33 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 113.129 0.789 . . . . 0.0 113.129 179.649 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.6 m -93.01 -36.34 12.78 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 127.105 2.162 . . . . 0.0 110.398 -175.282 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -46.61 -29.52 1.14 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 C-N-CA 125.791 1.636 . . . . 0.0 111.231 179.126 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -55.12 -50.75 57.99 Favored Glycine 0 CA--C 1.536 1.361 0 CA-C-N 118.785 0.72 . . . . 0.0 111.375 177.409 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.0 m -86.97 -45.1 11.1 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 117.604 0.702 . . . . 0.0 110.118 179.911 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 87.5 m-70 -69.42 -20.87 63.78 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 -176.827 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.11 159.79 25.72 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.218 -1.153 . . . . 0.0 110.218 -178.745 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -14.85 -57.65 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 129.216 3.007 . . . . 0.0 113.72 -178.982 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -147.17 65.8 1.15 Allowed 'General case' 0 N--CA 1.439 -1.019 0 C-N-CA 124.398 1.079 . . . . 0.0 108.378 177.193 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 60.58 22.84 59.87 Favored Glycine 0 CA--C 1.525 0.689 0 C-N-CA 123.184 0.421 . . . . 0.0 112.896 178.739 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.3 p -71.2 -32.4 68.79 Favored 'General case' 0 N--CA 1.441 -0.895 0 C-N-CA 125.382 1.473 . . . . 0.0 112.485 -177.718 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.3 mtmm -94.81 136.83 34.65 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 118.542 0.61 . . . . 0.0 110.119 179.722 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.65 86.57 1.21 Allowed 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 104.127 -2.546 . . . . 0.0 104.127 175.195 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -35.93 130.81 0.59 Allowed 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 115.449 1.648 . . . . 0.0 115.449 -174.85 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 11.1 tpt 25.62 -79.43 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 131.168 3.787 . . . . 0.0 115.142 178.578 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.81 -35.79 58.77 Favored Glycine 0 CA--C 1.526 0.759 0 CA-C-O 119.582 -0.566 . . . . 0.0 112.414 -179.347 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 70.4 m 124.63 56.91 0.0 OUTLIER 'General case' 0 CA--C 1.528 0.13 0 C-N-CA 131.301 3.84 . . . . 0.0 106.147 -178.623 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.44 146.21 30.3 Favored 'General case' 0 N--CA 1.443 -0.815 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 -177.295 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.2 mtmt -61.59 116.14 18.91 Favored Pre-proline 0 N--CA 1.448 -0.547 0 N-CA-C 102.275 -3.231 . . . . 0.0 102.275 173.623 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -32.89 105.34 0.04 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 124.065 3.176 . . . . 0.0 113.007 -176.736 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.0 t -56.41 -32.06 34.92 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 N-CA-C 107.386 -1.339 . . . . 0.0 107.386 -179.86 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.3 tttm -58.51 80.9 0.01 OUTLIER 'General case' 0 C--N 1.346 0.432 0 C-N-CA 126.714 2.005 . . . . 0.0 111.718 176.834 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 133.21 -8.17 5.08 Favored Glycine 0 CA--C 1.521 0.466 0 CA-C-N 114.515 -1.221 . . . . 0.0 113.103 178.112 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -63.92 146.85 53.29 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 119.004 1.402 . . . . 0.0 107.348 178.409 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -39.1 -101.95 0.01 OUTLIER Glycine 0 CA--C 1.54 1.65 0 N-CA-C 119.19 2.436 . . . . 0.0 119.19 -173.849 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 176.38 -59.56 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 128.975 2.91 . . . . 0.0 104.888 179.469 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -59.86 -41.86 92.4 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 106.173 -1.788 . . . . 0.0 106.173 175.488 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -52.94 -66.46 0.38 Allowed 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 126.117 1.767 . . . . 0.0 108.965 177.149 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 32.8 mt -45.56 -49.95 13.47 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 113.177 -1.828 . . . . 0.0 110.008 -179.962 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -65.45 -49.98 67.1 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 123.935 0.894 . . . . 0.0 112.611 -179.098 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -60.52 -39.71 88.82 Favored 'General case' 0 N--CA 1.427 -1.596 0 CA-C-N 119.485 1.039 . . . . 0.0 109.514 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -67.89 -48.65 65.45 Favored 'General case' 0 N--CA 1.437 -1.106 0 C-N-CA 122.861 0.464 . . . . 0.0 109.821 -179.319 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 61.3 mtm -62.87 -42.1 99.63 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-O 118.811 -0.614 . . . . 0.0 109.999 177.999 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -58.43 -42.97 88.51 Favored 'General case' 0 CA--C 1.529 0.147 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 177.496 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -56.56 -52.04 52.74 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 109.305 -1.518 . . . . 0.0 109.305 176.408 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -65.08 -32.3 73.95 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.94 1.37 . . . . 0.0 111.739 179.127 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -48.82 -51.31 30.1 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.827 1.251 . . . . 0.0 109.677 -178.577 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -93.38 -33.47 13.85 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.064 0.546 . . . . 0.0 110.95 178.928 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.96 17.65 6.27 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 125.938 1.733 . . . . 0.0 112.831 179.941 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 33.4 t -90.41 35.06 0.87 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.745 1.218 . . . . 0.0 111.426 -179.761 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -159.99 159.65 32.39 Favored 'General case' 0 C--O 1.232 0.147 0 N-CA-C 106.476 -1.675 . . . . 0.0 106.476 177.176 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -137.96 -173.77 13.09 Favored Glycine 0 C--N 1.336 0.554 0 CA-C-O 121.454 0.475 . . . . 0.0 113.65 -177.846 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 162.12 173.67 31.07 Favored Glycine 0 N--CA 1.425 -2.087 0 C-N-CA 128.291 2.853 . . . . 0.0 108.867 -178.468 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -45.37 -43.49 11.09 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 127.172 2.189 . . . . 0.0 111.783 179.924 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 63.9 mmt-85 -126.87 43.96 3.0 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 122.997 0.519 . . . . 0.0 110.087 -179.811 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.46 -34.78 36.93 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 179.616 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.87 -50.43 66.61 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 123.133 0.573 . . . . 0.0 110.323 -179.714 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 26.4 mmt -59.53 -44.76 93.09 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.054 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 30.1 mmm -58.07 -58.03 10.21 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.318 178.9 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 68.4 m -47.83 -47.44 31.31 Favored 'General case' 0 C--O 1.222 -0.39 0 C-N-CA 124.59 1.156 . . . . 0.0 109.134 177.096 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -60.92 -46.06 92.2 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 118.861 0.755 . . . . 0.0 111.073 178.722 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.95 90.96 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.635 0.774 . . . . 0.0 111.46 -179.629 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 77.1 t -82.07 -31.19 10.24 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 C-N-CA 127.372 2.269 . . . . 0.0 113.468 -176.774 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.71 -36.23 57.11 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 125.212 1.405 . . . . 0.0 111.895 -178.236 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -75.2 -3.0 30.51 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -179.901 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 21.8 m-30 -107.95 -172.31 2.04 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 125.226 1.41 . . . . 0.0 108.936 179.357 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 28.0 m -160.8 159.86 30.47 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 126.812 2.045 . . . . 0.0 107.901 -177.395 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -30.92 -48.55 0.11 Allowed 'General case' 0 C--O 1.225 -0.203 0 C-N-CA 126.646 1.978 . . . . 0.0 115.416 -177.107 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.02 -55.02 37.77 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 119.446 1.021 . . . . 0.0 109.32 179.896 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -56.59 -50.82 70.82 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 124.369 1.068 . . . . 0.0 109.363 179.863 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 74.2 mt -57.33 -46.53 83.16 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.969 0.908 . . . . 0.0 111.374 179.791 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -65.46 -40.28 93.01 Favored 'General case' 0 N--CA 1.452 -0.361 0 O-C-N 121.656 -0.653 . . . . 0.0 109.697 179.565 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.89 -45.5 89.07 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.822 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.416 HD21 ' N ' ' A' ' 7' ' ' TYR . 13.3 mt -56.25 -59.83 4.37 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 177.56 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -50.66 -47.38 58.66 Favored 'General case' 0 N--CA 1.449 -0.51 0 O-C-N 123.447 0.467 . . . . 0.0 110.708 -178.29 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -54.39 -43.45 71.43 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 176.52 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -64.84 -57.71 8.13 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 177.026 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.9 mpp? -51.38 -28.47 12.73 Favored 'General case' 0 CA--C 1.539 0.519 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 178.581 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 17.1 t -55.86 -32.65 63.83 Favored 'General case' 0 CA--C 1.534 0.351 0 O-C-N 120.659 -1.276 . . . . 0.0 111.083 177.351 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 32.1 mmtt -103.62 32.04 4.08 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.579 0.752 . . . . 0.0 110.083 -178.508 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 14.8 tp . . . . . 0 C--O 1.251 1.151 0 C-N-CA 125.505 1.522 . . . . 0.0 110.318 -178.76 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 80' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.709 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -56.92 123.54 15.47 Favored 'General case' 0 N--CA 1.46 0.054 0 CA-C-N 119.398 0.999 . . . . 0.0 113.055 -178.717 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.96 -50.45 67.58 Favored Glycine 0 CA--C 1.528 0.845 0 N-CA-C 110.301 -1.12 . . . . 0.0 110.301 178.042 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.29 -49.85 71.07 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 118.204 1.002 . . . . 0.0 111.591 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.25 -51.39 69.16 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 -179.811 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 74.3 mt -54.21 -48.06 71.45 Favored 'General case' 0 N--CA 1.44 -0.933 0 CA-C-N 118.121 0.419 . . . . 0.0 110.787 -179.825 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.425 ' OH ' HG11 ' A' ' 29' ' ' VAL . 3.1 t80 -62.0 -13.99 31.07 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 114.556 1.317 . . . . 0.0 114.556 -177.331 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -58.44 -30.84 67.23 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 120.845 -1.16 . . . . 0.0 110.788 178.468 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.421 ' OG ' HBB1 ' A' ' 80' ' ' HEM . 26.2 p -70.9 -6.2 36.52 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 112.759 0.651 . . . . 0.0 112.759 178.677 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.3 m -109.55 -37.32 5.73 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 126.624 1.97 . . . . 0.0 110.688 -174.684 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.1 mp -43.05 -35.91 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 C-N-CA 125.775 1.63 . . . . 0.0 110.173 177.442 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -50.1 -43.93 41.89 Favored Glycine 0 CA--C 1.536 1.366 0 O-C-N 121.693 -0.629 . . . . 0.0 112.714 178.171 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.6 m -96.05 -43.92 7.56 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 117.796 0.798 . . . . 0.0 110.421 179.463 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -72.13 -6.65 44.12 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.11 0.964 . . . . 0.0 113.526 -177.585 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 63.9 -158.21 41.37 Favored Glycine 0 N--CA 1.445 -0.742 0 N-CA-C 111.481 -0.648 . . . . 0.0 111.481 178.61 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.24 96.12 0.1 Allowed 'General case' 0 N--CA 1.445 -0.69 0 CA-C-O 121.899 0.857 . . . . 0.0 111.092 -179.307 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 48.22 61.27 3.1 Favored 'General case' 0 N--CA 1.436 -1.141 0 C-N-CA 127.156 2.182 . . . . 0.0 111.144 175.847 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.96 5.69 41.18 Favored Glycine 0 CA--C 1.525 0.663 0 CA-C-O 118.183 -1.343 . . . . 0.0 115.389 177.18 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 52.2 m -68.15 -27.12 66.15 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 119.549 1.675 . . . . 0.0 111.231 179.508 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -88.51 127.87 35.54 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 118.878 0.763 . . . . 0.0 109.584 -179.693 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.55 85.88 0.87 Allowed 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 105.411 -2.07 . . . . 0.0 105.411 176.086 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -36.81 126.71 0.89 Allowed 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 125.384 1.474 . . . . 0.0 114.859 -175.69 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 24.7 mmt 22.27 -76.28 0.0 OUTLIER 'General case' 0 C--N 1.342 0.275 0 C-N-CA 131.665 3.986 . . . . 0.0 115.391 178.863 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -52.95 -33.34 43.64 Favored Glycine 0 CA--C 1.529 0.919 0 C-N-CA 123.305 0.479 . . . . 0.0 112.086 179.504 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 70.5 m 119.95 56.86 0.0 OUTLIER 'General case' 0 C--O 1.23 0.076 1 C-N-CA 131.718 4.007 . . . . 0.0 107.158 179.717 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.58 146.4 30.44 Favored 'General case' 0 N--CA 1.445 -0.698 0 N-CA-C 114.641 1.349 . . . . 0.0 114.641 -178.292 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.7 mtmm -60.43 127.58 86.78 Favored Pre-proline 0 CA--C 1.538 0.514 0 N-CA-C 102.817 -3.031 . . . . 0.0 102.817 172.872 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_exo -41.95 100.94 0.04 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 123.95 3.1 . . . . 0.0 112.62 -177.967 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.425 HG11 ' OH ' ' A' ' 7' ' ' TYR . 12.3 t -52.3 -33.82 17.65 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 123.075 0.55 . . . . 0.0 109.726 -177.975 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.7 tttm -42.47 81.07 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 127.543 2.337 . . . . 0.0 116.072 176.534 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.55 14.79 57.94 Favored Glycine 0 N--CA 1.439 -1.131 0 CA-C-O 117.318 -1.823 . . . . 0.0 112.945 175.73 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . 0.325 7.0 pt20 -75.64 95.2 3.33 Favored 'General case' 0 C--N 1.349 0.571 0 CA-C-N 120.289 2.044 . . . . 0.0 110.014 179.9 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 50.36 -148.57 6.9 Favored Glycine 0 CA--C 1.542 1.722 0 C-N-CA 128.866 3.127 . . . . 0.0 110.831 -173.557 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -148.72 -61.56 0.24 Allowed 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 102.316 -3.216 . . . . 0.0 102.316 175.057 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 47.0 tt0 -56.53 -34.97 67.55 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 174.464 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -55.59 -70.53 0.11 Allowed 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 107.632 -1.247 . . . . 0.0 107.632 177.662 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.4 HD23 HMA3 ' A' ' 80' ' ' HEM . 0.9 OUTLIER -53.26 -37.49 62.18 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -178.831 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -65.61 -43.44 89.61 Favored 'General case' 0 N--CA 1.452 -0.364 0 O-C-N 121.922 -0.486 . . . . 0.0 110.656 -179.256 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.7 ttmm -69.51 -41.3 76.21 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 -178.856 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -63.41 -47.72 80.77 Favored 'General case' 0 N--CA 1.438 -1.054 0 C-N-CA 123.625 0.77 . . . . 0.0 109.125 -179.951 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 64.4 mtm -65.66 -39.37 91.31 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-O 117.59 -1.195 . . . . 0.0 109.577 178.068 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 58.1 tttp -58.31 -42.91 87.72 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 106.843 -1.539 . . . . 0.0 106.843 176.231 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -53.33 -58.21 12.77 Favored Glycine 0 CA--C 1.528 0.858 0 N-CA-C 109.796 -1.322 . . . . 0.0 109.796 176.934 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -60.89 -44.86 96.52 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 118.522 1.161 . . . . 0.0 111.167 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.95 -48.15 52.17 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 125.934 1.694 . . . . 0.0 108.896 179.686 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -90.86 13.1 17.36 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.702 1.201 . . . . 0.0 112.398 -179.24 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 51.42 35.69 36.52 Favored Glycine 0 CA--C 1.533 1.177 0 C-N-CA 124.545 1.069 . . . . 0.0 113.274 -179.861 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.6 t -120.87 31.8 6.25 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.904 1.682 . . . . 0.0 112.258 -178.121 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -158.64 160.96 37.08 Favored 'General case' 0 C--O 1.231 0.102 0 N-CA-C 107.147 -1.427 . . . . 0.0 107.147 178.041 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -140.8 -169.12 11.63 Favored Glycine 0 C--N 1.338 0.639 0 CA-C-O 121.895 0.72 . . . . 0.0 113.78 -178.063 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 159.05 177.18 31.89 Favored Glycine 0 N--CA 1.426 -2.022 0 C-N-CA 129.126 3.25 . . . . 0.0 108.72 -178.136 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -56.14 -27.89 55.88 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 125.874 1.669 . . . . 0.0 112.629 -178.983 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 83.6 mmt-85 -128.95 34.62 4.43 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.314 0.646 . . . . 0.0 109.934 177.945 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -47.42 -41.36 20.01 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 124.492 1.117 . . . . 0.0 112.815 179.557 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.18 -49.47 69.67 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.22 0.608 . . . . 0.0 110.642 -178.586 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 25.4 mmt -60.61 -42.91 97.76 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 179.095 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 37.6 mmm -57.98 -61.53 2.48 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 116.015 -0.538 . . . . 0.0 109.631 178.742 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 88.6 m -48.05 -45.47 32.29 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.209 1.004 . . . . 0.0 109.672 177.312 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -61.66 -40.42 94.86 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 121.695 -0.628 . . . . 0.0 111.531 179.159 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.72 -32.73 64.03 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.793 -0.567 . . . . 0.0 111.808 -179.769 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 67.4 t -85.0 -40.86 15.32 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 C-N-CA 125.893 1.677 . . . . 0.0 114.306 -176.072 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 56.9 pttt -52.48 -30.72 31.38 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 -176.626 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.2 pttm -72.63 -10.97 60.43 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.39 0.541 . . . . 0.0 112.194 -179.419 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -97.11 -169.9 1.94 Allowed 'General case' 0 N--CA 1.441 -0.922 0 CA-C-O 123.263 1.506 . . . . 0.0 109.11 178.721 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.3 m -153.42 161.32 42.41 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 127.064 2.145 . . . . 0.0 108.33 -179.44 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -29.43 -53.01 0.13 Allowed 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 126.792 2.037 . . . . 0.0 114.827 -177.728 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -60.91 -51.2 70.31 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 120.964 0.411 . . . . 0.0 110.268 -178.546 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.4 mp0 -58.87 -45.15 90.87 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 178.507 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 47.9 mt -58.12 -50.15 74.47 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 118.493 0.588 . . . . 0.0 110.676 179.036 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -59.46 -45.74 90.78 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 122.894 0.478 . . . . 0.0 110.402 -179.578 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.99 -43.57 95.32 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 -179.125 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.463 HD23 ' HA ' ' A' ' 72' ' ' LEU . 11.3 mt -57.95 -60.46 3.69 Favored 'General case' 0 N--CA 1.44 -0.952 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 178.473 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.18 -46.36 62.09 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 118.143 0.429 . . . . 0.0 111.195 -177.717 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -52.23 -47.73 65.53 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 176.67 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -62.37 -53.76 50.27 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 177.424 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.1 mpp? -49.5 -38.06 28.88 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 119.471 1.032 . . . . 0.0 112.382 178.492 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.3 t -60.12 -27.99 67.5 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 121.449 -0.782 . . . . 0.0 112.191 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -103.55 19.76 19.18 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.853 0.861 . . . . 0.0 111.827 -177.828 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 86.5 mt . . . . . 0 C--O 1.249 1.078 0 CA-C-O 117.692 -1.147 . . . . 0.0 110.524 177.522 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 80' ' ' HEM . . . . . 0.421 HBB1 ' OG ' ' A' ' 9' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.72 0 CA-C-O 117.539 -1.22 . . . . 0.0 107.979 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -63.04 121.65 14.11 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 119.08 0.855 . . . . 0.0 112.504 -178.331 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -54.87 -42.87 80.98 Favored Glycine 0 CA--C 1.527 0.824 0 N-CA-C 110.626 -0.99 . . . . 0.0 110.626 177.691 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.6 -23.87 67.27 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 118.395 1.097 . . . . 0.0 112.18 -179.907 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -85.97 -47.66 9.4 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 108.123 -1.065 . . . . 0.0 108.123 179.548 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 38.3 mt -58.31 -43.29 88.1 Favored 'General case' 0 N--CA 1.442 -0.865 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -179.441 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.501 ' HD1' HD22 ' A' ' 72' ' ' LEU . 2.0 t80 -64.76 -11.06 32.43 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 114.01 1.115 . . . . 0.0 114.01 -178.304 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -54.68 -37.33 65.64 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 120.012 1.278 . . . . 0.0 110.332 178.211 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.1 p -63.47 -23.0 67.21 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 179.227 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.1 m -98.29 -34.44 10.69 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 127.034 2.133 . . . . 0.0 111.462 -175.025 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.3 tp -46.39 -35.45 2.48 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 125.596 1.558 . . . . 0.0 111.322 -179.224 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -56.22 -36.68 69.6 Favored Glycine 0 CA--C 1.532 1.134 0 CA-C-O 119.451 -0.638 . . . . 0.0 112.856 179.081 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.8 t -95.19 -41.88 8.85 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-N 118.19 0.995 . . . . 0.0 111.732 -179.024 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.416 ' CE1' HG21 ' A' ' 29' ' ' VAL . 62.5 m-70 -79.52 -31.18 42.09 Favored 'General case' 0 N--CA 1.435 -1.218 0 C-N-CA 126.78 2.032 . . . . 0.0 116.058 -175.675 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 96.61 157.52 31.3 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 109.333 -1.507 . . . . 0.0 109.333 -177.169 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.22 -37.48 35.64 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 124.588 1.155 . . . . 0.0 112.8 -179.418 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 57.4 p30 -100.56 10.91 40.54 Favored 'General case' 0 N--CA 1.434 -1.23 0 C-N-CA 128.046 2.538 . . . . 0.0 112.334 -178.293 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.59 ' HA3' HD21 ' A' ' 79' ' ' LEU . . . 44.59 31.51 2.53 Favored Glycine 0 CA--C 1.529 0.968 0 C-N-CA 125.029 1.3 . . . . 0.0 113.434 -177.094 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.0 m -118.64 -6.04 10.68 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.819 0.847 . . . . 0.0 111.266 -179.914 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -83.41 67.06 9.17 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 106.472 -1.677 . . . . 0.0 106.472 178.661 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -12.31 93.12 0.01 OUTLIER 'General case' 0 C--N 1.342 0.246 0 C-N-CA 129.097 2.959 . . . . 0.0 113.248 -177.902 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.44 133.24 10.04 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 124.291 1.037 . . . . 0.0 111.817 -178.719 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 11.2 ptm -10.83 -51.33 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 131.148 3.779 . . . . 0.0 117.242 -176.754 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -53.26 -42.55 63.56 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 110.4 -1.08 . . . . 0.0 110.4 178.379 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 69.4 p 128.47 54.91 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.249 1 C-N-CA 134.014 4.926 . . . . 0.0 107.165 178.589 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.3 121.06 10.46 Favored 'General case' 0 C--N 1.348 0.506 0 C-N-CA 118.045 -1.462 . . . . 0.0 114.203 -176.656 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.49 120.48 48.98 Favored Pre-proline 0 N--CA 1.449 -0.51 0 N-CA-C 101.696 -3.446 . . . . 0.0 101.696 173.767 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -26.59 110.03 0.03 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.741 0 C-N-CA 124.938 3.759 . . . . 0.0 112.831 -175.089 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.416 HG21 ' CE1' ' A' ' 14' ' ' HIS . 73.7 t -59.67 -35.22 58.45 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 N-CA-C 107.382 -1.34 . . . . 0.0 107.382 -178.695 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.603 ' HA ' HD23 ' A' ' 79' ' ' LEU . 63.1 tttp -41.37 102.77 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 125.328 1.451 . . . . 0.0 114.55 177.39 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 64.58 40.56 97.69 Favored Glycine 0 N--CA 1.44 -1.043 0 CA-C-N 112.689 -2.05 . . . . 0.0 110.166 177.118 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -60.65 -36.14 77.94 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 107.347 -1.353 . . . . 0.0 107.347 179.608 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 132.16 121.11 2.22 Favored Glycine 0 C--O 1.217 -0.934 0 C-N-CA 128.0 2.714 . . . . 0.0 108.583 176.442 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.76 -46.04 10.3 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 121.091 2.446 . . . . 0.0 112.816 -177.64 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -63.22 -40.84 98.61 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 179.435 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -60.88 -64.12 1.06 Allowed 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 125.866 1.667 . . . . 0.0 107.952 179.253 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 33.3 mt -46.1 -50.83 14.9 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 127.091 2.156 . . . . 0.0 109.514 179.29 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -65.16 -51.65 59.87 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 123.388 0.675 . . . . 0.0 112.201 -179.8 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -57.22 -39.42 75.43 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 -178.885 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -70.95 -44.7 65.53 Favored 'General case' 0 N--CA 1.436 -1.135 0 C-N-CA 123.082 0.553 . . . . 0.0 110.195 -178.839 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 2.0 mtm -62.19 -44.3 96.91 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 118.8 0.727 . . . . 0.0 109.594 177.486 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -58.09 -45.74 86.67 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 107.044 -1.465 . . . . 0.0 107.044 177.864 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -53.41 -54.57 29.16 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 110.244 -1.142 . . . . 0.0 110.244 177.025 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -62.72 -43.12 99.64 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 118.628 1.214 . . . . 0.0 110.595 179.684 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.31 -50.31 59.61 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 125.643 1.577 . . . . 0.0 108.855 -179.837 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -90.53 11.21 22.54 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.455 1.102 . . . . 0.0 112.177 -179.299 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 51.08 31.92 26.88 Favored Glycine 0 CA--C 1.535 1.323 0 C-N-CA 124.326 0.965 . . . . 0.0 113.582 -179.22 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.8 t -114.94 33.48 5.38 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 125.966 1.706 . . . . 0.0 111.593 -178.439 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -164.66 163.3 21.67 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 106.19 -1.782 . . . . 0.0 106.19 179.262 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -151.04 -176.9 24.36 Favored Glycine 0 N--CA 1.447 -0.593 0 CA-C-O 122.129 0.85 . . . . 0.0 114.339 -179.192 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -176.47 176.18 47.75 Favored Glycine 0 N--CA 1.424 -2.137 1 C-N-CA 131.708 4.48 . . . . 0.0 106.637 -178.673 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -55.06 -25.29 29.82 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 124.766 1.226 . . . . 0.0 112.854 -178.435 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.87 38.96 3.35 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.478 0.711 . . . . 0.0 110.563 178.889 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.17 -36.54 30.75 Favored 'General case' 0 C--N 1.34 0.183 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 -179.246 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.47 -51.8 67.9 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 122.658 0.383 . . . . 0.0 110.886 -178.552 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 61.9 mtt -61.09 -40.56 94.19 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 179.215 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 21.8 mmm -57.21 -60.9 2.93 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 178.966 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 45.1 m -51.51 -44.67 62.62 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.544 0.738 . . . . 0.0 109.498 177.256 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.14 -36.58 70.89 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.021 0.528 . . . . 0.0 110.667 179.341 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.89 -59.51 2.75 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 122.251 1.024 . . . . 0.0 108.658 178.763 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 72.5 t -49.72 -40.62 15.82 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 C-N-CA 126.926 2.09 . . . . 0.0 113.767 -176.651 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -57.04 -21.42 31.09 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 119.6 1.091 . . . . 0.0 113.088 -179.099 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 47.9 tttp -64.79 -30.78 71.8 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.645 0.657 . . . . 0.0 111.397 178.545 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -91.79 -177.22 4.69 Favored 'General case' 0 N--CA 1.436 -1.137 0 C-N-CA 125.488 1.515 . . . . 0.0 111.202 -175.937 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.6 t -136.82 169.14 18.25 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 128.023 2.529 . . . . 0.0 108.371 179.465 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -43.28 -49.68 6.71 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 125.632 1.573 . . . . 0.0 113.275 -176.944 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.45 -53.22 60.61 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 -179.13 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -57.07 -43.5 82.13 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 123.27 0.628 . . . . 0.0 109.614 179.187 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.7 mt -60.45 -49.52 77.26 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 118.981 0.81 . . . . 0.0 109.714 178.728 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -57.51 -46.21 84.06 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 121.951 -0.468 . . . . 0.0 109.784 179.421 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.09 -44.58 95.32 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 -179.744 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.501 HD22 ' HD1' ' A' ' 7' ' ' TYR . 15.0 mt -59.52 -48.25 82.37 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.432 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.95 -41.74 96.89 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 -179.552 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -55.59 -49.0 73.93 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 177.565 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -58.78 -61.32 2.71 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 178.379 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.402 ' SD ' ' CE1' ' A' ' 7' ' ' TYR . 68.6 mtm -49.78 -32.77 14.67 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 178.204 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.6 t -71.18 -30.8 66.87 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-O 118.442 -0.789 . . . . 0.0 111.248 -179.626 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 44.8 pttt -107.83 26.7 10.01 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.6 0.76 . . . . 0.0 109.996 179.044 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.603 HD23 ' HA ' ' A' ' 30' ' ' LYS . 39.4 tp . . . . . 0 C--O 1.252 1.218 0 C-N-CA 125.804 1.641 . . . . 0.0 110.435 179.295 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 80' ' ' HEM . . . . . 0.589 HBC2 HMC2 ' A' ' 80' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.708 0 CA-C-O 118.789 -0.624 . . . . 0.0 109.718 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -47.55 117.55 1.86 Allowed 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 125.997 1.719 . . . . 0.0 112.527 -178.472 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -49.48 -49.13 33.47 Favored Glycine 0 CA--C 1.527 0.808 0 N-CA-C 111.335 -0.706 . . . . 0.0 111.335 179.154 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.3 -25.63 15.55 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 112.891 0.701 . . . . 0.0 112.891 179.548 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -89.86 -22.17 22.18 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 118.908 0.776 . . . . 0.0 110.72 -179.58 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 67.6 mt -85.5 -34.88 21.47 Favored 'General case' 0 N--CA 1.435 -1.179 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 179.808 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.43 ' CD1' HD22 ' A' ' 72' ' ' LEU . 1.1 t80 -76.31 -8.22 56.62 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 115.932 1.827 . . . . 0.0 115.932 -177.887 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.3 mtmm -52.18 -45.8 65.27 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.056 -1.027 . . . . 0.0 112.377 -178.405 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.3 m -68.5 -6.81 27.26 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 -179.407 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 10.4 m -100.81 -37.36 8.73 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 126.672 1.989 . . . . 0.0 109.959 -177.228 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -47.32 -30.16 1.71 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 C-N-CA 125.198 1.399 . . . . 0.0 109.717 177.011 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -49.61 -47.09 37.83 Favored Glycine 0 CA--C 1.536 1.389 0 C-N-CA 123.939 0.781 . . . . 0.0 112.823 177.64 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.5 m -91.25 -45.65 8.51 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 118.666 1.233 . . . . 0.0 110.157 179.594 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 69.3 m-70 -70.33 -16.91 63.05 Favored 'General case' 0 N--CA 1.431 -1.412 0 C-N-CA 126.195 1.798 . . . . 0.0 115.684 -175.565 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.37 154.74 23.38 Favored Glycine 0 CA--C 1.528 0.867 0 N-CA-C 109.356 -1.498 . . . . 0.0 109.356 -178.112 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -34.93 -59.71 0.48 Allowed 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 126.139 1.776 . . . . 0.0 113.184 -178.339 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.1 p-10 -102.69 38.23 1.76 Allowed 'General case' 0 N--CA 1.438 -1.066 0 C-N-CA 125.861 1.665 . . . . 0.0 111.512 -179.429 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 47.48 30.22 6.02 Favored Glycine 0 CA--C 1.532 1.115 0 C-N-CA 124.904 1.24 . . . . 0.0 114.984 178.149 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.1 p -89.88 -29.71 18.37 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 126.728 2.011 . . . . 0.0 113.702 -176.216 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.88 131.92 41.98 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 -177.838 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.7 80.75 0.85 Allowed 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 179.905 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -37.94 133.07 0.9 Allowed 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 126.5 1.92 . . . . 0.0 115.255 -176.991 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 38.7 tpp 21.85 -82.23 0.0 OUTLIER 'General case' 0 C--N 1.345 0.376 0 C-N-CA 129.938 3.295 . . . . 0.0 113.107 179.468 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.0 46.26 2.08 Favored Glycine 0 CA--C 1.53 1.026 0 CA-C-O 119.644 -0.531 . . . . 0.0 112.141 179.133 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.9 m 47.16 53.39 10.77 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 126.852 2.061 . . . . 0.0 111.097 178.716 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.31 138.6 56.29 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 114.446 1.276 . . . . 0.0 114.446 -177.898 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.9 pttm -63.1 114.09 11.48 Favored Pre-proline 0 CA--C 1.542 0.638 0 N-CA-C 102.377 -3.194 . . . . 0.0 102.377 172.344 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -32.13 119.56 0.09 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.525 0 C-N-CA 124.568 3.512 . . . . 0.0 114.061 -175.374 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.436 HG23 HD21 ' A' ' 79' ' ' LEU . 28.9 m -66.17 -18.22 23.68 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.733 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 179.163 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 43.5 tptt -54.19 85.36 0.0 OUTLIER 'General case' 0 C--N 1.346 0.43 0 C-N-CA 126.856 2.062 . . . . 0.0 112.018 175.908 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 112.48 2.98 25.84 Favored Glycine 0 C--N 1.318 -0.438 0 CA-C-N 114.258 -1.337 . . . . 0.0 113.521 177.01 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -63.92 147.02 52.97 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 105.382 -2.081 . . . . 0.0 105.382 176.271 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -76.06 141.11 26.65 Favored Glycine 0 CA--C 1.529 0.913 0 O-C-N 120.674 -1.267 . . . . 0.0 114.097 -175.065 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -46.06 -48.43 16.93 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 119.797 1.798 . . . . 0.0 112.378 179.821 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.5 tm-20 -59.64 -44.1 93.62 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 -179.93 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -59.09 -63.3 1.35 Allowed 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 125.355 1.462 . . . . 0.0 107.846 179.694 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 49.1 mt -45.86 -49.62 15.21 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 126.925 2.09 . . . . 0.0 109.681 -179.87 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -66.54 -50.05 64.43 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 123.014 0.526 . . . . 0.0 112.323 -179.482 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -59.37 -40.71 87.38 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 121.525 0.679 . . . . 0.0 109.82 -178.918 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -69.97 -50.74 38.73 Favored 'General case' 0 N--CA 1.439 -1.017 0 C-N-CA 123.113 0.565 . . . . 0.0 110.174 -178.307 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 60.5 mtm -61.81 -37.08 83.07 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 118.481 -0.771 . . . . 0.0 109.638 178.574 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -58.33 -47.56 83.36 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 177.698 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.01 -45.52 92.28 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.313 -0.715 . . . . 0.0 111.313 177.458 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -66.54 -33.14 75.02 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 118.302 1.051 . . . . 0.0 109.905 177.669 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.22 -49.4 69.87 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 124.348 1.059 . . . . 0.0 109.518 -179.017 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.5 p30 -88.12 -15.94 34.8 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -177.528 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.98 5.4 62.58 Favored Glycine 0 CA--C 1.531 1.036 0 C-N-CA 124.029 0.823 . . . . 0.0 113.346 179.181 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.0 t -76.27 -8.76 57.77 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 118.722 1.261 . . . . 0.0 111.097 178.972 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -138.6 153.1 48.64 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 105.55 -2.019 . . . . 0.0 105.55 177.873 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 158.79 -172.44 35.61 Favored Glycine 0 C--N 1.334 0.439 0 N-CA-C 108.023 -2.031 . . . . 0.0 108.023 -178.998 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 172.48 179.02 43.03 Favored Glycine 0 N--CA 1.423 -2.178 0 C-N-CA 128.442 2.925 . . . . 0.0 106.597 179.159 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -57.27 -52.14 66.53 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.322 0.582 . . . . 0.0 109.637 -179.826 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 43.5 mtm105 -59.58 -38.22 80.59 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 123.811 0.844 . . . . 0.0 109.717 -179.662 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.53 20.83 6.85 Favored 'General case' 0 N--CA 1.426 -1.665 0 C-N-CA 125.087 1.355 . . . . 0.0 112.221 -178.615 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.54 -51.07 60.55 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 177.596 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 26.3 mmt -56.23 -47.81 77.73 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 177.61 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.458 ' HE1' ' C1B' ' A' ' 80' ' ' HEM . 35.7 mmm -50.99 -60.59 2.93 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.819 0.847 . . . . 0.0 110.509 178.579 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 33.1 m -52.65 -51.98 57.74 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 122.715 0.406 . . . . 0.0 109.915 -179.562 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -58.03 -33.4 68.93 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 111.655 0.243 . . . . 0.0 111.655 179.578 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -80.19 -60.55 2.29 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 -177.53 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.2 m -59.43 -30.19 43.81 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.104 0 CA-C-O 118.435 -0.793 . . . . 0.0 112.708 -169.993 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.55 -16.42 6.0 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 119.336 0.971 . . . . 0.0 112.575 179.947 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -65.1 -24.22 67.37 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 119.182 0.901 . . . . 0.0 110.491 176.403 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -98.19 144.63 27.44 Favored 'General case' 0 N--CA 1.432 -1.338 0 C-N-CA 126.955 2.102 . . . . 0.0 108.049 -179.596 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 58.1 p -90.82 169.45 10.93 Favored 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 127.43 2.292 . . . . 0.0 108.558 177.971 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -49.39 -44.02 44.74 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.817 0.735 . . . . 0.0 112.783 -179.294 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -60.62 -53.5 56.68 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 118.574 0.625 . . . . 0.0 109.799 179.408 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -55.64 -48.31 75.19 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.983 0.913 . . . . 0.0 109.843 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 66.1 mt -60.74 -46.06 91.89 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 124.367 1.067 . . . . 0.0 110.59 179.088 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.4 tptp -61.97 -42.77 99.5 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 179.184 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.23 -45.86 91.44 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.949 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.464 ' HA ' HD23 ' A' ' 72' ' ' LEU . 9.9 mt -54.86 -54.34 43.65 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 177.61 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.69 -45.84 88.59 Favored 'General case' 0 N--CA 1.452 -0.347 0 O-C-N 123.154 0.284 . . . . 0.0 110.511 -178.266 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -54.73 -49.23 71.28 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.213 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -59.87 -60.78 3.29 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 178.123 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 62.1 mtm -49.59 -35.87 22.22 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -179.743 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.6 t -56.7 -28.0 60.06 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.471 -0.768 . . . . 0.0 110.238 179.62 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -123.22 52.02 1.41 Allowed 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 105.197 -2.149 . . . . 0.0 105.197 175.12 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.436 HD21 HG23 ' A' ' 29' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.229 0 C-N-CA 127.05 2.14 . . . . 0.0 111.583 -178.374 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 80' ' ' HEM . . . . . 0.458 ' C1B' ' HE1' ' A' ' 57' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.655 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -46.95 112.37 0.51 Allowed 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 125.044 1.338 . . . . 0.0 112.16 -178.821 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -51.8 -49.37 47.97 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.661 -0.975 . . . . 0.0 110.661 179.618 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.76 -27.27 59.2 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 121.735 -0.862 . . . . 0.0 112.797 179.499 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.85 -48.66 10.52 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 179.715 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 79.3 mt -56.75 -41.86 78.3 Favored 'General case' 0 N--CA 1.442 -0.825 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 179.928 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.49 ' N ' HD21 ' A' ' 72' ' ' LEU . 2.0 t80 -67.94 -8.82 40.14 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 114.746 1.387 . . . . 0.0 114.746 -178.056 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 61.7 mtpt -50.03 -46.56 53.09 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 119.7 1.136 . . . . 0.0 111.954 -179.793 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.3 m -78.09 23.9 0.26 Allowed 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 113.547 0.943 . . . . 0.0 113.547 -178.178 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.1 m -128.36 -33.91 2.1 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 125.743 1.617 . . . . 0.0 109.335 -177.51 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.8 mm -44.85 -38.5 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.478 0 C-N-CA 126.219 1.808 . . . . 0.0 110.355 177.736 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -47.73 -37.8 14.8 Favored Glycine 0 CA--C 1.533 1.215 0 CA-C-O 119.42 -0.656 . . . . 0.0 113.131 178.846 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.0 m -105.19 -43.51 5.0 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 117.96 0.88 . . . . 0.0 111.524 179.867 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.496 ' CE1' HG21 ' A' ' 29' ' ' VAL . 93.3 m-70 -80.7 -29.47 36.47 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 115.024 1.49 . . . . 0.0 115.024 -175.635 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 89.08 151.78 24.74 Favored Glycine 0 CA--C 1.527 0.83 0 N-CA-C 109.732 -1.347 . . . . 0.0 109.732 -177.511 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.97 -26.11 24.13 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.465 1.106 . . . . 0.0 113.084 -178.939 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.0 p-10 -115.65 16.37 16.45 Favored 'General case' 0 N--CA 1.432 -1.35 0 C-N-CA 129.663 3.185 . . . . 0.0 112.331 -177.454 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.416 ' HA3' ' CD2' ' A' ' 79' ' ' LEU . . . 51.74 24.28 12.46 Favored Glycine 0 C--N 1.339 0.71 0 N-CA-C 116.633 1.413 . . . . 0.0 116.633 177.104 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 72.0 p -93.8 -19.18 21.27 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 118.156 0.978 . . . . 0.0 111.789 -178.56 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.7 mptt -75.54 116.38 16.2 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 106.617 -1.623 . . . . 0.0 106.617 -178.736 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.51 80.91 0.57 Allowed 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 -179.485 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -33.68 123.96 0.44 Allowed 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 126.381 1.872 . . . . 0.0 114.289 -176.71 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 22.4 mmt 13.48 -71.43 0.0 OUTLIER 'General case' 0 C--N 1.346 0.435 0 C-N-CA 131.246 3.818 . . . . 0.0 113.674 -179.35 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.38 44.08 1.62 Allowed Glycine 0 CA--C 1.534 1.28 0 CA-C-N 118.694 0.679 . . . . 0.0 111.53 176.963 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 27.9 m 46.34 51.43 11.52 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 127.382 2.273 . . . . 0.0 112.283 178.897 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.2 129.82 43.75 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 117.987 -1.485 . . . . 0.0 111.685 179.639 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -57.9 135.19 83.52 Favored Pre-proline 0 CA--C 1.542 0.66 0 N-CA-C 103.632 -2.729 . . . . 0.0 103.632 173.998 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_endo -39.6 106.56 0.06 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 124.067 3.178 . . . . 0.0 113.09 -174.099 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.496 HG21 ' CE1' ' A' ' 14' ' ' HIS . 52.9 t -55.96 -23.86 16.2 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 C-N-CA 123.863 0.865 . . . . 0.0 110.131 -179.188 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -43.95 90.97 0.0 OUTLIER 'General case' 0 C--N 1.341 0.214 0 CA-C-O 123.39 1.566 . . . . 0.0 113.525 175.404 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 71.75 48.33 28.76 Favored Glycine 0 N--CA 1.443 -0.868 0 CA-C-N 112.062 -2.335 . . . . 0.0 110.24 179.083 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.407 ' HB2' HD21 ' A' ' 37' ' ' LEU . 0.8 OUTLIER -53.78 -36.24 62.19 Favored 'General case' 0 CA--C 1.554 1.103 0 N-CA-C 107.357 -1.349 . . . . 0.0 107.357 179.36 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.18 -110.58 0.32 Allowed Glycine 0 CA--C 1.534 1.275 0 C-N-CA 129.653 3.502 . . . . 0.0 107.669 172.879 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -179.98 -63.76 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 130.349 3.46 . . . . 0.0 102.515 176.15 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 -62.06 -40.1 94.63 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 105.038 -2.208 . . . . 0.0 105.038 172.777 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -53.98 -66.38 0.41 Allowed 'General case' 0 C--N 1.342 0.28 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 176.817 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.407 HD21 ' HB2' ' A' ' 32' ' ' GLN . 8.9 mt -48.83 -42.16 35.29 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 124.921 1.288 . . . . 0.0 111.873 -179.376 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -71.94 -41.22 68.07 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 123.425 0.69 . . . . 0.0 111.566 -178.77 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -66.24 -41.18 90.37 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 -179.544 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 63.3 mmtt -64.53 -51.95 60.23 Favored 'General case' 0 N--CA 1.437 -1.116 0 C-N-CA 124.14 0.976 . . . . 0.0 108.515 -179.715 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 49.4 mtm -62.35 -38.2 88.6 Favored 'General case' 0 C--O 1.214 -0.801 0 CA-C-O 117.784 -1.103 . . . . 0.0 110.319 178.153 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -60.01 -46.39 89.65 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 120.935 1.698 . . . . 0.0 107.583 178.014 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -55.23 -42.59 82.72 Favored Glycine 0 CA--C 1.528 0.884 0 N-CA-C 111.784 -0.526 . . . . 0.0 111.784 177.437 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -74.85 -31.31 61.61 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 117.783 0.792 . . . . 0.0 110.145 177.413 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.56 -45.72 88.36 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 106.66 -1.607 . . . . 0.0 106.66 179.278 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -79.39 -39.39 32.62 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 177.074 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.21 -4.48 22.0 Favored Glycine 0 CA--C 1.53 0.994 0 C-N-CA 125.257 1.408 . . . . 0.0 114.128 177.219 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 27.0 t -72.86 -32.37 65.38 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 118.674 1.237 . . . . 0.0 111.94 -178.517 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -73.91 149.19 41.62 Favored 'General case' 0 C--N 1.342 0.268 0 CA-C-N 120.239 1.381 . . . . 0.0 108.4 179.627 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -120.82 -174.02 14.94 Favored Glycine 0 C--N 1.337 0.585 0 C-N-CA 123.575 0.607 . . . . 0.0 114.113 -177.932 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 157.21 175.0 27.64 Favored Glycine 0 N--CA 1.425 -2.053 0 C-N-CA 128.281 2.848 . . . . 0.0 108.531 -177.804 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -61.91 -28.54 69.6 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 125.671 1.588 . . . . 0.0 112.424 -179.2 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 88.0 mmt-85 -127.4 32.03 5.1 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 123.912 0.885 . . . . 0.0 109.624 178.543 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.78 -31.41 58.74 Favored 'General case' 0 N--CA 1.438 -1.027 0 C-N-CA 123.218 0.607 . . . . 0.0 112.434 -178.983 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.99 -54.2 29.19 Favored 'General case' 0 N--CA 1.456 -0.139 0 CA-C-N 118.259 0.481 . . . . 0.0 109.961 -179.468 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.528 ' HG2' HBC2 ' A' ' 80' ' ' HEM . 17.0 tpt -56.95 -47.08 81.52 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 178.711 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 41.3 mmm -54.6 -61.44 2.31 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.704 179.056 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 52.4 m -47.5 -47.87 27.41 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 124.613 1.165 . . . . 0.0 109.969 177.961 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.6 -42.81 97.51 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 118.527 0.603 . . . . 0.0 110.921 179.678 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.27 -31.92 66.19 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.373 0.669 . . . . 0.0 112.669 -178.651 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 79.5 t -87.75 -47.52 15.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 126.169 1.787 . . . . 0.0 114.295 -175.533 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -52.16 -30.1 25.2 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.164 0.986 . . . . 0.0 112.39 -177.505 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.0 ptpp? -70.5 -14.69 62.62 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 118.914 -0.565 . . . . 0.0 112.516 179.288 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -102.41 156.73 17.4 Favored 'General case' 0 N--CA 1.437 -1.09 0 C-N-CA 124.998 1.319 . . . . 0.0 108.755 179.839 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 86.0 p -96.8 162.13 13.56 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 127.207 2.203 . . . . 0.0 109.645 179.519 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -49.44 -40.19 35.84 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 122.921 0.488 . . . . 0.0 112.093 179.885 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -60.65 -54.83 40.6 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 178.945 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -56.64 -48.13 78.22 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.445 0.698 . . . . 0.0 110.067 179.348 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 77.7 mt -58.86 -47.31 85.35 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.816 0.846 . . . . 0.0 110.509 179.346 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -63.32 -38.24 90.39 Favored 'General case' 0 N--CA 1.453 -0.302 0 O-C-N 121.395 -0.815 . . . . 0.0 109.93 179.727 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.41 -44.83 81.92 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 179.035 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.49 HD21 ' N ' ' A' ' 7' ' ' TYR . 9.9 mt -56.44 -50.08 72.71 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 177.815 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.08 -50.51 73.22 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 123.112 0.565 . . . . 0.0 109.86 -179.672 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -52.01 -44.55 64.19 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 176.861 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -63.5 -58.81 5.83 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 178.208 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 56.3 mtm -47.84 -31.24 4.78 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 176.66 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.6 t -59.62 -37.35 78.4 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.205 -0.934 . . . . 0.0 110.749 178.693 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -105.56 33.09 3.89 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.61 1.164 . . . . 0.0 110.415 -179.632 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.416 ' CD2' ' HA3' ' A' ' 18' ' ' GLY . 40.5 tp . . . . . 0 C--O 1.249 1.054 0 C-N-CA 125.261 1.424 . . . . 0.0 110.787 179.463 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 80' ' ' HEM . . . . . 0.528 HBC2 ' HG2' ' A' ' 56' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.731 0 CA-C-O 117.754 -1.117 . . . . 0.0 108.063 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -58.02 117.98 4.92 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 119.353 0.978 . . . . 0.0 111.714 -179.074 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -55.06 -43.04 83.16 Favored Glycine 0 CA--C 1.528 0.845 0 N-CA-C 110.383 -1.087 . . . . 0.0 110.383 177.894 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.0 -21.36 66.09 Favored 'General case' 0 N--CA 1.455 -0.191 0 O-C-N 121.788 -0.831 . . . . 0.0 112.374 179.519 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.16 -47.81 8.18 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 107.583 -1.266 . . . . 0.0 107.583 178.342 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 58.4 mt -57.71 -44.48 85.96 Favored 'General case' 0 N--CA 1.441 -0.925 0 CA-C-O 119.289 -0.386 . . . . 0.0 110.233 -179.325 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.413 ' N ' HD21 ' A' ' 72' ' ' LEU . 1.8 t80 -71.53 -8.94 57.13 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 115.568 1.692 . . . . 0.0 115.568 -177.447 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.51 -37.21 72.62 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 119.995 1.271 . . . . 0.0 111.531 -178.47 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.9 m -70.82 -10.58 59.83 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 121.484 -0.76 . . . . 0.0 112.789 179.269 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.5 m -99.47 -34.13 10.39 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 126.607 1.963 . . . . 0.0 110.165 -178.161 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.2 tp -46.52 -30.32 1.25 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 C-N-CA 126.151 1.78 . . . . 0.0 110.773 179.001 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -57.87 -46.69 92.11 Favored Glycine 0 CA--C 1.535 1.324 0 O-C-N 121.514 -0.742 . . . . 0.0 111.514 177.72 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.2 m -83.64 -44.13 14.87 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 117.72 0.76 . . . . 0.0 110.251 -179.758 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -79.67 -12.25 59.82 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 115.057 1.503 . . . . 0.0 115.057 -176.167 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.48 157.6 32.57 Favored Glycine 0 CA--C 1.524 0.637 0 O-C-N 120.904 -1.122 . . . . 0.0 110.996 -179.764 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -32.82 -58.99 0.35 Allowed 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 127.037 2.135 . . . . 0.0 113.658 -178.459 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -110.97 33.96 4.3 Favored 'General case' 0 N--CA 1.444 -0.731 0 C-N-CA 125.801 1.641 . . . . 0.0 111.226 -179.647 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 58.77 28.89 63.69 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 121.63 -0.669 . . . . 0.0 112.953 179.642 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.9 p -91.18 -26.58 18.99 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 126.155 1.782 . . . . 0.0 113.204 -177.462 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.05 128.9 37.17 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 -178.663 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.9 84.61 1.24 Allowed 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 105.917 -1.882 . . . . 0.0 105.917 176.824 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -41.72 128.83 3.35 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 124.974 1.309 . . . . 0.0 114.334 -175.374 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 88.8 mmm 22.66 -76.72 0.0 OUTLIER 'General case' 0 C--N 1.342 0.281 0 C-N-CA 131.483 3.913 . . . . 0.0 115.552 178.821 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -53.68 -34.58 50.52 Favored Glycine 0 CA--C 1.528 0.874 0 N-CA-C 111.766 -0.534 . . . . 0.0 111.766 179.564 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 68.1 m 120.12 57.61 0.0 OUTLIER 'General case' 0 N--CA 1.456 -0.15 1 C-N-CA 132.033 4.133 . . . . 0.0 107.354 179.639 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.29 136.85 53.11 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 119.422 -0.911 . . . . 0.0 112.444 -179.723 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.9 pttp -59.28 139.03 88.54 Favored Pre-proline 0 CA--C 1.545 0.772 0 N-CA-C 103.386 -2.82 . . . . 0.0 103.386 172.005 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_endo -46.37 109.38 0.2 Allowed 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 122.985 2.457 . . . . 0.0 113.575 -174.399 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.6 t -55.61 -26.31 19.58 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 C-N-CA 123.964 0.906 . . . . 0.0 109.05 179.414 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.4 tptt -49.55 88.02 0.0 OUTLIER 'General case' 0 C--N 1.343 0.316 0 C-N-CA 126.455 1.902 . . . . 0.0 112.292 176.854 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 76.18 43.72 20.22 Favored Glycine 0 N--CA 1.444 -0.811 0 CA-C-N 112.636 -2.074 . . . . 0.0 110.403 179.296 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -54.06 -35.02 61.57 Favored 'General case' 0 CA--C 1.551 0.986 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 178.516 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 163.21 -129.21 1.98 Allowed Glycine 0 CA--C 1.531 1.078 1 C-N-CA 130.864 4.078 . . . . 0.0 104.469 176.725 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -155.75 -61.6 0.11 Allowed 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 102.406 -3.183 . . . . 0.0 102.406 173.497 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -56.85 -35.74 69.22 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 106.716 -1.586 . . . . 0.0 106.716 173.746 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.7 tp10 -54.65 -73.53 0.05 OUTLIER 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 125.427 1.491 . . . . 0.0 107.873 177.838 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.463 HD23 HMA3 ' A' ' 80' ' ' HEM . 1.1 mp -51.76 -38.4 55.28 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.216 -177.746 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -66.62 -42.24 87.12 Favored 'General case' 0 N--CA 1.447 -0.625 0 CA-C-N 118.127 0.421 . . . . 0.0 110.972 179.63 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -67.82 -41.98 82.19 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 -179.343 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.7 mmtp -65.85 -44.68 84.76 Favored 'General case' 0 N--CA 1.436 -1.174 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 -179.14 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 61.4 mtm -67.18 -37.52 83.85 Favored 'General case' 0 C--O 1.218 -0.569 0 CA-C-O 118.246 -0.883 . . . . 0.0 109.711 177.804 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -58.54 -42.88 88.83 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 106.734 -1.58 . . . . 0.0 106.734 176.704 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.39 -56.42 25.18 Favored Glycine 0 CA--C 1.532 1.104 0 N-CA-C 110.275 -1.13 . . . . 0.0 110.275 176.648 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -61.71 -33.33 73.82 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.869 1.334 . . . . 0.0 112.156 -179.686 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.24 -52.7 42.23 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 124.889 1.275 . . . . 0.0 109.36 -178.838 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.25 -40.04 17.07 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 178.757 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 119.06 26.19 2.56 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 126.218 1.866 . . . . 0.0 112.316 -179.791 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.3 t -100.15 35.51 2.06 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.892 1.277 . . . . 0.0 111.485 -179.672 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -158.75 159.49 35.26 Favored 'General case' 0 C--O 1.231 0.092 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 177.349 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -141.15 -168.09 11.33 Favored Glycine 0 C--N 1.336 0.562 0 CA-C-O 122.117 0.843 . . . . 0.0 113.881 -178.073 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 157.55 179.18 32.26 Favored Glycine 0 N--CA 1.423 -2.218 0 C-N-CA 130.29 3.805 . . . . 0.0 107.09 -177.19 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -53.61 -49.64 67.37 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 124.343 1.057 . . . . 0.0 111.484 179.231 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.9 mmp_? -104.32 28.22 7.09 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.047 0.939 . . . . 0.0 111.414 -178.444 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -46.89 -38.99 11.3 Favored 'General case' 0 N--CA 1.441 -0.886 0 C-N-CA 125.141 1.376 . . . . 0.0 113.8 -179.529 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.4 -50.5 63.23 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 123.482 0.713 . . . . 0.0 110.392 -178.532 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -59.51 -44.29 93.16 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 107.329 -1.36 . . . . 0.0 107.329 178.757 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 33.6 mmm -56.32 -62.82 1.46 Allowed 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.409 178.595 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 53.0 m -44.82 -51.39 9.54 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 125.419 1.487 . . . . 0.0 109.675 177.47 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -58.88 -45.32 90.47 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 122.081 -0.387 . . . . 0.0 111.564 179.793 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.7 -26.44 62.5 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -178.247 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 56.3 t -89.37 -49.41 13.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 C-N-CA 125.623 1.569 . . . . 0.0 113.135 -177.264 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 25.7 tttp -49.73 -29.04 6.91 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.386 1.475 . . . . 0.0 112.96 -177.429 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.0 -25.23 66.99 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 179.309 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -88.82 165.48 14.64 Favored 'General case' 0 N--CA 1.436 -1.159 0 CA-C-O 123.605 1.669 . . . . 0.0 110.989 -178.756 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 89.8 p -100.83 161.43 13.6 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 128.208 2.603 . . . . 0.0 108.548 178.614 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -52.34 -41.66 63.22 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 111.902 0.334 . . . . 0.0 111.902 -179.199 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -59.4 -53.84 53.61 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.346 0.658 . . . . 0.0 109.352 178.877 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -56.8 -46.06 81.8 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 122.897 0.479 . . . . 0.0 109.834 179.073 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 47.9 mt -58.14 -48.52 80.0 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.361 0.664 . . . . 0.0 110.565 178.992 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.4 ttpp -60.9 -47.26 87.19 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.327 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.92 -43.69 94.74 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 -178.832 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.413 HD21 ' N ' ' A' ' 7' ' ' TYR . 11.1 mt -56.92 -60.24 3.86 Favored 'General case' 0 N--CA 1.441 -0.918 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 177.877 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -50.01 -48.22 52.61 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 118.211 0.46 . . . . 0.0 111.223 -178.568 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -52.17 -46.83 65.67 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 108.739 -0.838 . . . . 0.0 108.739 177.297 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -63.96 -53.89 43.15 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-O 118.38 -0.819 . . . . 0.0 109.22 177.466 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.5 mpp? -48.89 -32.85 9.61 Favored 'General case' 0 C--N 1.346 0.419 0 CA-C-N 119.637 1.108 . . . . 0.0 112.659 178.415 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.5 t -55.52 -32.7 63.13 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.805 -0.559 . . . . 0.0 111.819 178.66 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.1 ttpp -141.44 67.82 1.34 Allowed 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 123.945 0.898 . . . . 0.0 108.728 179.174 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.251 1.169 0 CA-C-O 117.225 -1.369 . . . . 0.0 111.793 178.47 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 80' ' ' HEM . . . . . 0.463 HMA3 HD23 ' A' ' 37' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.704 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -58.5 145.19 39.84 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 107.232 -1.395 . . . . 0.0 107.232 176.772 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.8 73.06 0.97 Allowed Glycine 0 N--CA 1.439 -1.155 1 N-CA-C 100.713 -4.955 . . . . 0.0 100.713 -170.281 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 131.2 -50.88 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.4 1 C-N-CA 131.971 4.109 . . . . 0.0 106.476 -174.827 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.25 -26.12 60.99 Favored 'General case' 0 C--N 1.345 0.401 0 C-N-CA 119.493 -0.883 . . . . 0.0 111.13 -178.026 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.426 ' C ' HD21 ' A' ' 72' ' ' LEU . 17.5 mt -81.12 -34.31 32.62 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 118.8 0.727 . . . . 0.0 110.081 -179.925 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.485 ' N ' HD21 ' A' ' 72' ' ' LEU . 1.9 t80 -75.34 -10.87 59.85 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 115.177 1.547 . . . . 0.0 115.177 -177.766 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -49.21 -43.18 42.17 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.378 -0.826 . . . . 0.0 112.745 -179.217 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.4 m -74.68 -5.29 42.35 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 113.542 0.941 . . . . 0.0 113.542 -177.852 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.7 m -101.28 -36.88 8.74 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 126.767 2.027 . . . . 0.0 109.595 -177.26 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -46.3 -31.72 1.44 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 C-N-CA 125.659 1.584 . . . . 0.0 109.516 176.889 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -52.1 -44.31 56.79 Favored Glycine 0 CA--C 1.537 1.408 0 CA-C-O 119.387 -0.674 . . . . 0.0 112.546 177.655 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.6 m -96.48 -44.92 6.97 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 118.344 1.072 . . . . 0.0 110.526 179.547 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.409 ' HB3' ' HA2' ' A' ' 18' ' ' GLY . 95.4 m-70 -74.86 -17.39 60.6 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 114.193 1.183 . . . . 0.0 114.193 -175.726 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.13 159.78 34.28 Favored Glycine 0 CA--C 1.529 0.917 0 N-CA-C 110.518 -1.033 . . . . 0.0 110.518 -179.302 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -32.89 -58.45 0.36 Allowed 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 127.027 2.131 . . . . 0.0 113.873 -178.311 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.9 p-10 -110.73 43.57 1.4 Allowed 'General case' 0 N--CA 1.437 -1.113 0 C-N-CA 127.27 2.228 . . . . 0.0 109.59 -179.151 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.409 ' HA2' ' HB3' ' A' ' 14' ' ' HIS . . . 37.67 29.89 0.05 OUTLIER Glycine 0 CA--C 1.535 1.299 0 C-N-CA 127.177 2.322 . . . . 0.0 115.622 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.1 p -79.36 -31.35 42.91 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 126.442 1.897 . . . . 0.0 113.305 -178.454 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -71.65 129.9 39.84 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 121.734 0.778 . . . . 0.0 110.094 -178.457 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.52 83.79 0.42 Allowed 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 106.04 -1.837 . . . . 0.0 106.04 176.158 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -43.25 140.35 1.59 Allowed 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 126.264 1.826 . . . . 0.0 115.679 -176.859 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 11.1 tpt 29.49 -89.63 0.0 OUTLIER 'General case' 0 C--N 1.339 0.137 0 C-N-CA 129.066 2.946 . . . . 0.0 113.574 178.573 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.61 42.38 1.75 Allowed Glycine 0 CA--C 1.528 0.902 0 CA-C-N 118.708 0.685 . . . . 0.0 112.361 -179.757 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.9 m 51.65 57.95 6.01 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 125.295 1.438 . . . . 0.0 109.774 -178.868 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.38 151.65 9.73 Favored 'General case' 0 N--CA 1.442 -0.858 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 -178.545 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm -56.01 124.75 60.61 Favored Pre-proline 0 CA--C 1.537 0.462 0 N-CA-C 102.722 -3.066 . . . . 0.0 102.722 172.445 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_endo -47.75 115.66 1.54 Allowed 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 121.946 1.764 . . . . 0.0 110.158 -176.707 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 71.8 t -59.6 -40.87 83.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 N-CA-C 107.173 -1.417 . . . . 0.0 107.173 -178.228 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.4 tmtm? -58.09 101.66 0.08 Allowed 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 121.784 0.802 . . . . 0.0 109.679 172.33 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 122.47 -17.75 8.33 Favored Glycine 0 N--CA 1.45 -0.411 0 CA-C-N 113.759 -1.564 . . . . 0.0 111.625 178.786 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -66.13 142.7 57.67 Favored 'General case' 0 N--CA 1.44 -0.953 0 N-CA-C 106.481 -1.674 . . . . 0.0 106.481 178.216 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -82.46 141.96 21.64 Favored Glycine 0 CA--C 1.525 0.715 0 CA-C-O 119.061 -0.855 . . . . 0.0 112.741 -176.076 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -43.94 -55.55 4.53 Favored 'General case' 0 CA--C 1.518 -0.287 0 C-N-CA 126.354 1.862 . . . . 0.0 111.403 -179.113 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -53.85 -48.78 69.64 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 -179.453 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -58.88 -54.94 41.46 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 123.654 0.781 . . . . 0.0 109.861 -179.312 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 24.5 mt -51.6 -48.71 63.11 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 125.152 1.381 . . . . 0.0 110.22 179.693 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.79 -53.26 58.32 Favored 'General case' 0 C--O 1.223 -0.309 0 C-N-CA 124.235 1.014 . . . . 0.0 110.177 -179.397 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -54.31 -53.07 58.79 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 124.979 1.312 . . . . 0.0 109.926 -178.265 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -58.47 -49.76 76.16 Favored 'General case' 0 N--CA 1.435 -1.179 0 C-N-CA 125.471 1.508 . . . . 0.0 109.505 179.188 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 56.7 mtm -61.72 -38.39 87.72 Favored 'General case' 0 C--O 1.219 -0.528 0 CA-C-O 118.307 -0.854 . . . . 0.0 110.364 178.281 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.1 tptp -60.01 -42.32 94.06 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 107.328 -1.36 . . . . 0.0 107.328 178.55 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -56.36 -55.09 31.38 Favored Glycine 0 CA--C 1.527 0.837 0 N-CA-C 110.592 -1.003 . . . . 0.0 110.592 177.086 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.425 ' CE1' ' CD2' ' A' ' 49' ' ' TYR . 19.8 m-85 -61.31 -45.73 93.24 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 118.419 1.109 . . . . 0.0 109.998 179.759 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.08 -45.47 61.45 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 125.88 1.672 . . . . 0.0 109.566 179.658 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -89.91 3.53 52.77 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.518 0.727 . . . . 0.0 112.288 -178.331 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 60.1 27.87 65.62 Favored Glycine 0 CA--C 1.535 1.286 0 CA-C-N 119.123 0.874 . . . . 0.0 111.548 -177.888 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.7 t -107.25 20.04 19.51 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.724 1.61 . . . . 0.0 111.006 -179.509 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.425 ' CD2' ' CE1' ' A' ' 44' ' ' TYR . 7.8 t80 -163.85 151.45 12.56 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 103.859 -2.645 . . . . 0.0 103.859 179.196 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 160.6 -173.27 37.12 Favored Glycine 0 CA--C 1.522 0.503 0 CA-C-N 119.227 0.921 . . . . 0.0 111.577 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 169.62 -177.78 42.97 Favored Glycine 0 N--CA 1.424 -2.142 0 C-N-CA 130.454 3.883 . . . . 0.0 106.239 -179.543 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -52.91 -57.58 9.79 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 123.668 0.787 . . . . 0.0 111.237 -178.303 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.2 -43.47 98.75 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-O 121.453 0.644 . . . . 0.0 109.792 -177.584 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.88 -7.79 9.16 Favored 'General case' 0 N--CA 1.425 -1.722 0 C-N-CA 124.652 1.181 . . . . 0.0 113.097 -179.275 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.87 -43.41 94.71 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 120.321 1.419 . . . . 0.0 108.29 176.941 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 65.0 mtt -60.64 -46.79 88.97 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 178.492 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 43.3 mmm -54.85 -58.73 6.42 Favored 'General case' 0 C--O 1.223 -0.303 0 C-N-CA 123.182 0.593 . . . . 0.0 109.85 178.402 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 41.2 m -46.09 -48.25 17.1 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 125.079 1.352 . . . . 0.0 109.534 177.744 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.53 -42.74 99.72 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 118.082 0.401 . . . . 0.0 110.65 178.831 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.75 -27.57 66.03 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.42 1.088 . . . . 0.0 112.604 -179.498 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 60.3 t -92.54 -42.98 13.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 125.947 1.699 . . . . 0.0 113.737 -175.967 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 55.0 mttm -55.37 -27.6 48.48 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 119.61 1.095 . . . . 0.0 113.056 -178.144 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.6 ptpp? -69.73 -13.48 62.31 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 178.104 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -103.17 -173.89 2.42 Favored 'General case' 0 N--CA 1.441 -0.892 0 C-N-CA 125.936 1.694 . . . . 0.0 107.995 178.728 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 28.9 t -156.44 166.31 33.78 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 126.205 1.802 . . . . 0.0 107.749 -178.565 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -29.43 -52.82 0.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 127.313 2.245 . . . . 0.0 114.701 -176.549 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -62.17 -52.02 65.48 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 121.603 0.716 . . . . 0.0 110.88 -178.65 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 33.9 mp0 -63.47 -43.44 97.3 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 123.679 0.792 . . . . 0.0 109.371 -179.777 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 87.5 mt -59.88 -46.6 88.8 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.137 0.575 . . . . 0.0 109.685 179.083 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.6 ttpp -58.41 -49.75 76.16 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 177.755 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.87 -45.73 82.3 Favored 'General case' 0 C--N 1.341 0.2 0 C-N-CA 123.431 0.693 . . . . 0.0 109.587 -179.866 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.485 HD21 ' N ' ' A' ' 7' ' ' TYR . 16.4 mt -61.49 -49.4 76.93 Favored 'General case' 0 N--CA 1.443 -0.818 0 O-C-N 121.964 -0.46 . . . . 0.0 111.416 179.542 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.22 -41.68 93.57 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 -179.653 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -56.43 -45.92 80.52 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 177.408 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -60.69 -61.44 2.58 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 178.112 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.4 ' SD ' ' CE1' ' A' ' 7' ' ' TYR . 56.0 mtm -48.7 -41.95 33.36 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 178.97 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.1 t -65.32 -13.42 58.45 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 117.629 -1.177 . . . . 0.0 113.174 -178.649 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 37.4 mtmm -90.75 -3.71 57.24 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 119.729 1.149 . . . . 0.0 111.017 177.67 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.9 mp . . . . . 0 C--O 1.252 1.207 0 CA-C-O 117.202 -1.38 . . . . 0.0 109.236 176.875 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 80' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.7 0 CA-C-O 118.183 -0.913 . . . . 0.0 109.073 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -57.59 128.09 35.31 Favored 'General case' 0 C--O 1.226 -0.175 0 C-N-CA 123.552 0.741 . . . . 0.0 111.452 -179.007 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -51.28 -39.38 43.0 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 109.061 -1.615 . . . . 0.0 109.061 176.177 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.405 ' HB2' ' CE1' ' A' ' 75' ' ' TYR . . . -55.8 -22.5 24.97 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 117.577 -1.202 . . . . 0.0 113.376 179.244 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -95.2 -14.92 23.66 Favored 'General case' 0 C--N 1.345 0.408 0 CA-C-N 120.613 1.551 . . . . 0.0 109.946 -178.146 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.43 -40.62 11.93 Favored 'General case' 0 N--CA 1.428 -1.559 0 C-N-CA 125.117 1.367 . . . . 0.0 107.613 -178.342 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -67.84 -12.99 61.76 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 -179.765 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -49.95 -47.06 52.77 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 119.723 1.147 . . . . 0.0 112.833 -179.629 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.0 p -65.25 -24.07 67.23 Favored 'General case' 0 CA--C 1.533 0.31 0 O-C-N 121.546 -0.721 . . . . 0.0 112.662 -179.586 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.2 m -85.22 -37.82 19.65 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 126.68 1.992 . . . . 0.0 109.702 -176.26 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -45.97 -31.43 1.24 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 C-N-CA 126.463 1.905 . . . . 0.0 110.736 179.32 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -58.02 -42.45 94.97 Favored Glycine 0 CA--C 1.535 1.34 0 O-C-N 121.114 -0.991 . . . . 0.0 112.292 178.163 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.5 t -93.11 -44.72 8.23 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 123.831 0.852 . . . . 0.0 110.044 -179.392 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 -73.96 -9.31 58.51 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.435 1.094 . . . . 0.0 112.937 -178.951 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 71.85 179.67 32.92 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 111.423 -0.671 . . . . 0.0 111.423 179.75 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.35 99.24 0.04 OUTLIER 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 114.426 -0.887 . . . . 0.0 110.122 179.944 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.401 ' HB3' HD22 ' A' ' 79' ' ' LEU . 54.4 m-20 59.56 62.56 1.72 Allowed 'General case' 0 N--CA 1.437 -1.102 0 C-N-CA 126.609 1.964 . . . . 0.0 110.695 175.873 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 57.5 19.14 32.91 Favored Glycine 0 C--N 1.339 0.699 0 C-N-CA 125.925 1.726 . . . . 0.0 116.724 176.327 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.7 m -80.43 -26.77 38.22 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 118.431 1.115 . . . . 0.0 113.712 -178.471 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -91.37 135.99 33.42 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-N 119.272 0.942 . . . . 0.0 110.377 -178.098 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.5 80.67 2.53 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.835 179.937 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.608 ' HB1' ' CHD' ' A' ' 80' ' ' HEM . . . -26.28 118.46 0.07 Allowed 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 128.135 2.574 . . . . 0.0 112.886 179.031 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 20.8 mmt 14.54 -71.38 0.0 OUTLIER 'General case' 0 C--N 1.349 0.562 0 C-N-CA 131.022 3.729 . . . . 0.0 114.503 -178.165 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.08 41.3 1.08 Allowed Glycine 0 CA--C 1.533 1.157 0 CA-C-N 118.892 0.769 . . . . 0.0 111.949 177.706 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 31.2 m 49.63 52.72 14.02 Favored 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 127.099 2.16 . . . . 0.0 111.416 179.467 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.402 ' HB2' ' HB3' ' A' ' 22' ' ' ALA . . . -56.65 135.88 54.91 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 117.778 -1.569 . . . . 0.0 112.231 179.436 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -59.94 118.09 29.3 Favored Pre-proline 0 C--O 1.236 0.344 0 N-CA-C 101.819 -3.4 . . . . 0.0 101.819 173.527 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_exo -31.55 118.29 0.07 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.812 0 C-N-CA 124.123 3.215 . . . . 0.0 112.702 -174.783 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.2 t -59.71 -33.29 51.64 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 N-CA-C 106.171 -1.788 . . . . 0.0 106.171 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 43.8 tttp -61.08 99.92 0.11 Allowed 'General case' 0 N--CA 1.448 -0.549 0 CA-C-O 121.68 0.753 . . . . 0.0 109.899 173.995 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 123.84 -16.26 7.83 Favored Glycine 0 CA--C 1.522 0.491 0 CA-C-N 114.008 -1.451 . . . . 0.0 111.601 178.945 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -67.57 149.04 50.64 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 178.763 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -85.63 146.18 21.4 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 121.208 -0.933 . . . . 0.0 114.516 -175.808 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -49.1 -49.46 41.68 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 118.933 1.366 . . . . 0.0 111.955 -179.347 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -55.9 -48.24 76.01 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 179.734 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -56.37 -64.5 0.84 Allowed 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 124.741 1.216 . . . . 0.0 108.13 179.071 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.3 mt -49.36 -43.38 43.92 Favored 'General case' 0 N--CA 1.444 -0.73 0 C-N-CA 125.736 1.614 . . . . 0.0 112.171 -178.848 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -71.99 -42.11 66.84 Favored 'General case' 0 N--CA 1.445 -0.688 0 O-C-N 121.844 -0.535 . . . . 0.0 110.413 -178.608 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.7 tttp -62.64 -41.28 98.95 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 179.771 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.0 mmtp -67.81 -49.03 64.53 Favored 'General case' 0 N--CA 1.434 -1.228 0 C-N-CA 123.082 0.553 . . . . 0.0 110.231 -178.421 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 69.2 mtm -65.53 -37.29 86.31 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.721 179.44 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -59.47 -45.68 90.96 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 105.971 -1.863 . . . . 0.0 105.971 176.251 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -53.6 -56.63 19.17 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 110.646 -0.982 . . . . 0.0 110.646 177.339 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -62.12 -46.17 90.24 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 118.852 1.326 . . . . 0.0 110.672 -179.614 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.02 -46.05 52.54 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.995 1.318 . . . . 0.0 109.299 179.244 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -92.13 10.3 29.89 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.45 1.1 . . . . 0.0 112.628 -179.259 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 52.6 36.2 47.43 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 124.55 1.072 . . . . 0.0 113.32 -179.796 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 21.9 t -123.21 33.93 5.25 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.74 1.616 . . . . 0.0 112.286 -178.26 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -160.07 163.01 34.25 Favored 'General case' 0 C--O 1.231 0.082 0 N-CA-C 107.429 -1.323 . . . . 0.0 107.429 178.756 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -148.3 -176.59 21.89 Favored Glycine 0 C--N 1.337 0.601 0 CA-C-O 121.792 0.662 . . . . 0.0 113.924 -178.693 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 170.83 177.14 40.58 Favored Glycine 0 N--CA 1.426 -1.972 1 C-N-CA 131.044 4.164 . . . . 0.0 107.489 -177.904 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -45.82 -41.4 11.02 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 126.185 1.794 . . . . 0.0 113.148 179.878 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 86.7 mmt-85 -121.11 34.78 5.09 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 118.424 0.556 . . . . 0.0 111.079 -178.729 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -47.6 -40.99 20.81 Favored 'General case' 0 N--CA 1.441 -0.879 0 C-N-CA 125.519 1.528 . . . . 0.0 114.318 -179.577 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.87 -53.96 46.18 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 122.908 0.483 . . . . 0.0 109.824 -178.81 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -57.68 -46.38 84.38 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 178.928 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 17.1 mmm -55.73 -51.49 67.15 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 123.55 0.74 . . . . 0.0 111.592 179.428 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 82.4 m -56.63 -51.0 70.37 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 179.008 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.46 -35.6 70.36 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 178.476 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.86 -50.45 64.49 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 123.457 0.703 . . . . 0.0 111.142 -179.442 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.3 m -81.5 -27.49 10.19 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 C-N-CA 119.346 -0.941 . . . . 0.0 112.403 -176.153 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -70.24 77.89 0.53 Allowed 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 122.923 1.344 . . . . 0.0 111.761 -178.526 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.1 pttt -168.44 -35.57 0.02 OUTLIER 'General case' 0 N--CA 1.445 -0.718 1 C-N-CA 132.696 4.399 . . . . 0.0 106.655 177.692 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -78.51 -174.66 3.93 Favored 'General case' 0 N--CA 1.435 -1.205 0 CA-C-O 123.176 1.465 . . . . 0.0 109.037 177.205 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 28.6 t -154.27 169.59 23.3 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 128.515 2.726 . . . . 0.0 106.287 -178.5 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -36.31 -52.18 0.81 Allowed 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 125.563 1.545 . . . . 0.0 114.256 -176.651 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -61.74 -53.71 52.39 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 121.166 0.508 . . . . 0.0 110.51 -178.36 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -59.28 -43.74 92.52 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.391 0.676 . . . . 0.0 109.721 179.961 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 48.6 mt -61.19 -47.29 86.84 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.812 0.845 . . . . 0.0 110.212 179.434 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -62.25 -41.06 98.11 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 179.047 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.1 -46.38 84.49 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.746 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 72' ' ' LEU . 13.3 mt -54.64 -58.64 6.71 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 177.797 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.07 -39.94 69.8 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 118.851 -0.595 . . . . 0.0 110.352 -177.841 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -58.39 -50.12 74.83 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 177.463 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.405 ' CE1' ' HB2' ' A' ' 4' ' ' ALA . 75.9 t80 -57.83 -59.59 5.01 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 178.679 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.2 mtp -51.87 -38.39 55.89 Favored 'General case' 0 CA--C 1.539 0.558 0 O-C-N 121.567 -0.708 . . . . 0.0 112.776 178.282 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.8 t -73.91 -9.5 58.7 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 120.812 -1.18 . . . . 0.0 112.711 179.556 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 24.1 ttpp -94.15 -5.26 47.53 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 177.827 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.401 HD22 ' HB3' ' A' ' 17' ' ' ASP . 91.9 mt . . . . . 0 C--O 1.25 1.107 0 CA-C-O 117.124 -1.417 . . . . 0.0 109.581 178.084 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 80' ' ' HEM . . . . . 0.608 ' CHD' ' HB1' ' A' ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.714 0 N-CA-C 105.969 -1.863 . . . . 0.0 105.969 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 54.77 53.95 9.82 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-O 121.87 0.843 . . . . 0.0 112.717 172.136 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -50.88 -50.83 36.55 Favored Glycine 0 CA--C 1.526 0.768 0 CA-C-N 115.337 -0.847 . . . . 0.0 112.005 -179.098 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.0 -19.87 63.3 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.717 -0.872 . . . . 0.0 112.986 -179.423 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.81 -49.3 6.91 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 178.608 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.455 ' HB2' HD21 ' A' ' 72' ' ' LEU . 89.4 mt -58.51 -44.68 89.58 Favored 'General case' 0 N--CA 1.439 -0.977 0 CA-C-O 119.245 -0.407 . . . . 0.0 110.384 -179.395 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.488 ' HD1' HD22 ' A' ' 72' ' ' LEU . 1.5 t80 -63.94 -13.82 48.82 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 118.445 -1.302 . . . . 0.0 114.41 -177.912 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -59.32 -31.79 69.48 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 119.804 1.184 . . . . 0.0 110.185 177.915 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.2 m -75.45 -3.13 32.12 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.69 -0.631 . . . . 0.0 112.689 179.094 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.414 ' HB3' ' C4B' ' A' ' 80' ' ' HEM . 8.4 m -111.77 -35.46 5.73 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 126.77 2.028 . . . . 0.0 111.162 -176.899 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.8 tp -41.56 -34.51 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 C-N-CA 126.44 1.896 . . . . 0.0 112.523 -179.269 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -50.21 -46.09 43.47 Favored Glycine 0 CA--C 1.533 1.171 0 C-N-CA 123.725 0.679 . . . . 0.0 112.816 179.242 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 10.6 m -85.79 -43.94 12.91 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 118.104 0.952 . . . . 0.0 110.674 -179.5 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 69.6 m-70 -74.32 -10.91 60.06 Favored 'General case' 0 N--CA 1.434 -1.25 0 C-N-CA 126.621 1.968 . . . . 0.0 115.768 -176.121 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.15 147.49 3.94 Favored Glycine 0 CA--C 1.527 0.806 0 N-CA-C 109.662 -1.375 . . . . 0.0 109.662 -179.045 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.67 64.25 4.48 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 106.648 -1.612 . . . . 0.0 106.648 176.632 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.6 p30 179.17 -21.38 0.0 OUTLIER 'General case' 0 N--CA 1.435 -1.208 0 C-N-CA 129.915 3.286 . . . . 0.0 112.241 -174.567 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.519 ' HA3' ' CD2' ' A' ' 79' ' ' LEU . . . 69.12 -1.05 12.29 Favored Glycine 0 C--N 1.339 0.75 0 CA-C-N 120.3 1.409 . . . . 0.0 115.521 179.305 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.9 p -89.63 -27.43 20.18 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 123.98 0.912 . . . . 0.0 109.386 179.552 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.0 tttm -58.85 115.82 3.35 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 178.195 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.08 83.39 0.22 Allowed 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 -179.771 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -36.23 128.65 0.73 Allowed 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 126.321 1.848 . . . . 0.0 114.598 -177.181 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 26.4 mmt 24.38 -82.03 0.0 OUTLIER 'General case' 0 C--N 1.343 0.295 0 C-N-CA 130.197 3.399 . . . . 0.0 113.154 179.073 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.95 46.37 2.08 Favored Glycine 0 CA--C 1.532 1.096 0 N-CA-C 111.835 -0.506 . . . . 0.0 111.835 178.749 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.4 m 49.02 54.95 10.05 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 126.419 1.888 . . . . 0.0 111.43 178.207 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.12 146.74 37.65 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 -178.604 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.2 mtmm -60.37 127.26 86.2 Favored Pre-proline 0 CA--C 1.537 0.468 0 N-CA-C 103.737 -2.69 . . . . 0.0 103.737 173.938 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo -46.51 108.34 0.15 Allowed 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 123.167 2.578 . . . . 0.0 110.268 -176.757 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.1 t -57.54 -38.73 65.32 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 C-N-CA 123.956 0.902 . . . . 0.0 109.149 -177.118 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.1 ttmm -38.97 100.29 0.02 OUTLIER 'General case' 0 C--N 1.342 0.251 0 CA-C-O 122.896 1.331 . . . . 0.0 113.821 179.869 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 59.21 45.64 95.05 Favored Glycine 0 N--CA 1.444 -0.78 0 CA-C-N 112.463 -2.153 . . . . 0.0 110.139 177.664 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.424 ' HB2' HD21 ' A' ' 37' ' ' LEU . 2.1 mt-30 -55.34 -44.44 75.9 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 -178.919 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -172.83 -107.27 0.2 Allowed Glycine 0 CA--C 1.531 1.039 0 C-N-CA 128.008 2.718 . . . . 0.0 106.335 174.648 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 174.7 -56.8 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 130.874 3.669 . . . . 0.0 101.946 176.851 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -64.24 -42.21 96.64 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 105.682 -1.97 . . . . 0.0 105.682 173.075 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -57.97 -64.2 0.99 Allowed 'General case' 0 C--N 1.343 0.319 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 177.759 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.424 HD21 ' HB2' ' A' ' 32' ' ' GLN . 24.3 mt -45.76 -48.83 15.38 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 125.213 1.405 . . . . 0.0 110.626 179.008 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -61.37 -55.23 33.87 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 123.959 0.903 . . . . 0.0 111.378 179.668 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -56.55 -42.17 78.08 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.139 0.575 . . . . 0.0 110.007 -179.244 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 57.5 mmtt -64.56 -55.33 21.16 Favored 'General case' 0 N--CA 1.438 -1.055 0 C-N-CA 123.637 0.775 . . . . 0.0 110.176 -178.736 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.52 -39.91 89.56 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 -179.444 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -60.55 -43.6 97.05 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 178.058 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -51.84 -46.66 54.69 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 109.619 -1.392 . . . . 0.0 109.619 176.629 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -69.57 -40.49 76.72 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 118.11 0.955 . . . . 0.0 109.977 177.995 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.09 -52.99 59.24 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 124.568 1.147 . . . . 0.0 110.621 -179.703 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -81.33 -26.68 35.42 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.191 0.597 . . . . 0.0 110.942 179.651 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.45 5.89 55.42 Favored Glycine 0 CA--C 1.53 1.016 0 C-N-CA 124.629 1.109 . . . . 0.0 113.958 178.21 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.2 t -84.9 28.38 0.69 Allowed 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 119.206 1.503 . . . . 0.0 111.492 -179.853 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -169.37 147.72 3.72 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 105.03 -2.211 . . . . 0.0 105.03 -179.747 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 157.0 -173.19 34.62 Favored Glycine 0 C--N 1.334 0.463 0 CA-C-N 119.0 0.818 . . . . 0.0 111.319 -179.45 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 167.96 176.93 38.89 Favored Glycine 0 N--CA 1.425 -2.055 0 C-N-CA 130.084 3.707 . . . . 0.0 106.642 179.1 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -49.29 -55.64 12.07 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 123.833 0.853 . . . . 0.0 111.531 -178.293 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.8 ptt85 -64.89 -23.05 67.11 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 122.095 -0.378 . . . . 0.0 111.68 -178.429 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.7 mtmt -95.6 8.26 43.88 Favored 'General case' 0 N--CA 1.434 -1.251 0 C-N-CA 124.943 1.297 . . . . 0.0 110.523 179.651 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.13 -47.2 65.72 Favored 'General case' 0 C--O 1.233 0.21 0 O-C-N 120.81 -1.181 . . . . 0.0 108.117 178.062 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.6 mpp? -57.67 -44.55 85.83 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.981 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 31.3 mmm -52.99 -64.11 0.93 Allowed 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 124.066 0.946 . . . . 0.0 109.134 177.801 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 90.4 m -44.28 -50.58 8.89 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.819 1.248 . . . . 0.0 109.856 178.015 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -61.01 -43.89 98.22 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 119.48 -0.295 . . . . 0.0 111.696 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.09 -41.5 86.2 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-O 121.694 0.759 . . . . 0.0 110.971 -178.747 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 66.2 t -71.49 -38.35 67.75 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.631 0 C-N-CA 126.153 1.781 . . . . 0.0 113.16 -177.571 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.0 tppt? -45.39 -34.64 3.17 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -176.428 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 25.7 pttm -74.02 -15.46 61.09 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 -178.235 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -84.37 176.1 8.92 Favored 'General case' 0 N--CA 1.44 -0.969 0 CA-C-O 123.607 1.67 . . . . 0.0 111.397 -178.925 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.2 t -137.56 167.76 21.02 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 128.009 2.524 . . . . 0.0 107.815 178.557 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -40.4 -51.88 2.79 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 126.254 1.822 . . . . 0.0 113.197 -177.406 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -60.19 -47.88 84.07 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-O 121.377 0.608 . . . . 0.0 110.606 -179.042 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -63.79 -45.63 88.87 Favored 'General case' 0 N--CA 1.445 -0.695 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 -178.574 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 47.6 mt -58.85 -50.75 72.84 Favored 'General case' 0 N--CA 1.457 -0.096 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 177.994 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -57.87 -43.2 85.84 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 123.056 0.543 . . . . 0.0 110.001 -179.819 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.78 -47.12 76.24 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 -179.742 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.488 HD22 ' HD1' ' A' ' 7' ' ' TYR . 11.9 mt -58.89 -49.35 78.1 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 179.727 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.49 -49.34 77.95 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 -179.412 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -51.7 -45.54 63.56 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 176.457 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -62.86 -58.99 5.5 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 178.208 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 68.0 mtm -48.21 -30.39 4.65 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 118.911 0.778 . . . . 0.0 112.691 177.551 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.9 t -54.85 -36.58 65.22 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.17 -0.956 . . . . 0.0 109.802 177.457 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -122.37 45.71 2.3 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 127.548 2.339 . . . . 0.0 108.475 179.455 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.519 ' CD2' ' HA3' ' A' ' 18' ' ' GLY . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.105 0 C-N-CA 126.231 1.812 . . . . 0.0 111.26 -178.885 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 80' ' ' HEM . . . . . 0.424 ' HHA' HAD2 ' A' ' 80' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.683 0 N-CA-C 106.654 -1.61 . . . . 0.0 106.654 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -58.9 146.44 37.63 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 106.616 -1.624 . . . . 0.0 106.616 176.529 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 75.33 81.43 0.51 Allowed Glycine 0 N--CA 1.441 -1.006 1 N-CA-C 101.472 -4.651 . . . . 0.0 101.472 -171.308 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 119.66 -31.67 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 130.256 3.422 . . . . 0.0 107.517 -174.414 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.63 -19.8 23.26 Favored 'General case' 0 C--N 1.346 0.431 0 C-N-CA 118.753 -1.179 . . . . 0.0 110.352 -177.805 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.663 ' CB ' HD13 ' A' ' 72' ' ' LEU . 16.1 mt -88.68 -21.87 23.69 Favored 'General case' 0 N--CA 1.434 -1.269 0 C-N-CA 118.869 -1.132 . . . . 0.0 108.218 -177.631 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -84.97 -9.21 58.29 Favored 'General case' 0 C--N 1.346 0.431 0 N-CA-C 114.922 1.452 . . . . 0.0 114.922 -178.055 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -51.3 -48.4 62.31 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 119.463 1.028 . . . . 0.0 112.44 -178.253 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.8 m -76.33 27.49 0.12 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.696 1.198 . . . . 0.0 113.267 -178.29 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.0 m -130.5 -36.31 1.45 Allowed 'General case' 0 C--O 1.235 0.322 0 C-N-CA 126.196 1.799 . . . . 0.0 108.931 -177.947 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 23.6 mm -45.46 -33.7 1.38 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 C-N-CA 126.445 1.898 . . . . 0.0 110.607 178.017 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -52.64 -45.19 60.18 Favored Glycine 0 CA--C 1.535 1.341 0 CA-C-N 118.539 0.608 . . . . 0.0 112.191 178.269 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 11.8 m -90.59 -43.29 10.28 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 117.779 0.789 . . . . 0.0 111.233 -179.473 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 60.8 m-70 -80.6 -32.41 36.43 Favored 'General case' 0 N--CA 1.436 -1.167 0 N-CA-C 116.618 2.081 . . . . 0.0 116.618 -174.392 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 94.48 158.93 33.59 Favored Glycine 0 CA--C 1.528 0.866 0 N-CA-C 109.421 -1.471 . . . . 0.0 109.421 -177.47 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.74 -43.19 12.74 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 125.089 1.356 . . . . 0.0 113.463 -178.091 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.405 ' HA ' HD22 ' A' ' 79' ' ' LEU . 17.8 p-10 -109.54 26.45 10.63 Favored 'General case' 0 N--CA 1.435 -1.22 0 C-N-CA 127.903 2.481 . . . . 0.0 110.739 -178.634 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 44.14 40.89 6.01 Favored Glycine 0 CA--C 1.528 0.874 0 C-N-CA 124.937 1.256 . . . . 0.0 114.191 179.078 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.1 p -91.08 -32.08 16.01 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 125.217 1.407 . . . . 0.0 112.353 -178.51 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -64.53 121.72 15.09 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 -178.242 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.99 82.08 1.72 Allowed 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 106.464 -1.68 . . . . 0.0 106.464 177.631 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.76 145.93 4.85 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 125.203 1.401 . . . . 0.0 114.68 -176.425 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 13.6 mmt 27.8 -89.34 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 129.634 3.174 . . . . 0.0 114.43 179.154 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.37 -33.76 53.55 Favored Glycine 0 CA--C 1.526 0.767 0 C-N-CA 123.547 0.594 . . . . 0.0 113.272 -178.525 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 41.5 t 122.16 60.2 0.0 OUTLIER 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 130.758 3.623 . . . . 0.0 105.251 -178.642 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.58 134.45 24.23 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 -177.435 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.6 mtmm -60.11 121.12 56.7 Favored Pre-proline 0 N--CA 1.451 -0.41 0 N-CA-C 102.811 -3.033 . . . . 0.0 102.811 174.334 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -31.68 103.14 0.03 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 124.387 3.391 . . . . 0.0 113.039 -177.356 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.4 t -53.98 -34.3 25.8 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 -179.326 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.8 tmtm? -37.17 90.59 0.0 OUTLIER 'General case' 0 CA--C 1.52 -0.178 0 C-N-CA 127.907 2.483 . . . . 0.0 114.547 175.289 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 65.19 44.31 94.1 Favored Glycine 0 N--CA 1.444 -0.795 0 CA-C-N 111.932 -2.395 . . . . 0.0 110.476 177.551 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.496 ' HB2' HD21 ' A' ' 37' ' ' LEU . 2.8 mt-30 -52.51 -43.2 64.94 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 179.408 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.4 -118.94 0.56 Allowed Glycine 0 CA--C 1.531 1.08 0 C-N-CA 128.437 2.922 . . . . 0.0 105.906 173.702 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -167.26 -58.75 0.03 OUTLIER 'General case' 0 C--O 1.222 -0.369 0 C-N-CA 129.518 3.127 . . . . 0.0 102.563 174.831 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -42.45 99.25 Favored 'General case' 0 N--CA 1.422 -1.853 0 C-N-CA 125.995 1.718 . . . . 0.0 106.584 173.229 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -56.36 -65.26 0.64 Allowed 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 125.784 1.634 . . . . 0.0 108.447 177.786 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.496 HD21 ' HB2' ' A' ' 32' ' ' GLN . 20.1 mt -48.84 -48.24 41.93 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.338 1.455 . . . . 0.0 110.982 178.463 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -61.94 -48.96 78.08 Favored 'General case' 0 C--O 1.225 -0.207 0 C-N-CA 124.857 1.263 . . . . 0.0 111.293 -179.649 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.9 ttpp -60.5 -42.5 96.48 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 179.369 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 25.3 mttp -61.71 -52.18 65.35 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 123.264 0.626 . . . . 0.0 109.957 -179.665 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 70.5 mtm -65.52 -37.73 87.62 Favored 'General case' 0 C--O 1.219 -0.552 0 CA-C-O 118.091 -0.957 . . . . 0.0 111.197 179.328 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -60.27 -44.21 95.52 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 106.885 -1.524 . . . . 0.0 106.885 177.637 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -53.24 -56.43 19.37 Favored Glycine 0 CA--C 1.528 0.873 0 N-CA-C 109.586 -1.406 . . . . 0.0 109.586 176.838 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -62.56 -43.14 99.54 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 118.478 1.139 . . . . 0.0 111.252 179.538 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.78 -46.35 59.56 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 125.535 1.534 . . . . 0.0 109.029 -179.824 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -88.82 7.08 35.97 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.879 1.272 . . . . 0.0 112.665 -179.442 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 56.96 39.24 88.79 Favored Glycine 0 CA--C 1.531 1.043 0 CA-C-N 119.258 0.935 . . . . 0.0 112.04 -179.835 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.4 t -131.33 42.15 3.24 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.258 1.423 . . . . 0.0 110.838 -178.487 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -160.93 161.2 31.62 Favored 'General case' 0 C--O 1.231 0.13 0 N-CA-C 106.952 -1.499 . . . . 0.0 106.952 177.258 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -136.36 -176.92 14.62 Favored Glycine 0 C--N 1.337 0.628 0 CA-C-O 121.908 0.727 . . . . 0.0 113.713 -177.776 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 169.01 176.54 39.16 Favored Glycine 0 N--CA 1.425 -2.038 0 C-N-CA 129.906 3.622 . . . . 0.0 107.081 -177.771 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -68.5 -30.17 68.94 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 124.076 0.951 . . . . 0.0 110.965 -179.359 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.7 tpp180 -127.47 37.62 4.2 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 121.949 0.88 . . . . 0.0 108.986 178.414 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -52.1 -32.21 34.18 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 125.363 1.465 . . . . 0.0 112.368 179.189 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.71 -56.3 21.18 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 123.192 0.597 . . . . 0.0 110.542 -179.122 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 26.2 mmt -57.59 -47.9 80.85 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 179.121 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.1 mmm -54.27 -52.18 62.22 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.557 179.67 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 70.0 m -56.08 -50.97 69.52 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 179.557 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -56.45 -39.71 73.61 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 118.164 0.438 . . . . 0.0 110.149 178.89 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.83 -44.82 88.59 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 123.255 0.622 . . . . 0.0 112.595 -179.162 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.5 m -89.75 -31.94 5.46 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 CA-C-N 119.551 1.069 . . . . 0.0 113.516 -176.505 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 36.8 tttp -54.86 -26.85 38.21 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 118.983 0.81 . . . . 0.0 113.109 -175.39 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 47.6 pttt -68.21 -16.02 63.81 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 117.966 0.348 . . . . 0.0 111.703 178.567 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -93.11 -166.38 1.52 Allowed 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 125.289 1.436 . . . . 0.0 109.089 178.609 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 56.7 m -148.56 153.77 38.84 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 126.508 1.923 . . . . 0.0 108.909 179.572 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -29.47 -53.37 0.13 Allowed 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 126.966 2.106 . . . . 0.0 115.318 -176.871 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -62.58 -46.41 88.45 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 121.639 0.733 . . . . 0.0 110.37 -178.734 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -60.52 -44.7 95.75 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 107.629 -1.248 . . . . 0.0 107.629 178.248 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 80.7 mt -56.63 -43.87 80.68 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 118.08 0.4 . . . . 0.0 110.033 178.299 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -60.66 -44.44 96.44 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 122.199 -0.313 . . . . 0.0 110.26 179.124 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.15 -46.4 81.06 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 122.139 0.971 . . . . 0.0 109.575 -179.28 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.663 HD13 ' CB ' ' A' ' 6' ' ' LEU . 30.7 tp -59.5 -47.59 84.93 Favored 'General case' 0 N--CA 1.435 -1.216 0 C-N-CA 124.651 1.18 . . . . 0.0 110.737 -179.084 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.04 -48.04 75.27 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.81 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -51.7 -42.63 62.35 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 176.87 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -62.19 -55.74 25.55 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 177.465 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 47.8 mtm -48.55 -37.08 16.86 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 118.428 0.558 . . . . 0.0 111.597 178.235 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.5 t -55.68 -31.3 62.3 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.331 -0.856 . . . . 0.0 111.862 178.44 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 41.0 mmtm -91.85 10.78 27.25 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.033 0.933 . . . . 0.0 112.992 -178.682 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.405 HD22 ' HA ' ' A' ' 17' ' ' ASP . 78.5 mt . . . . . 0 C--O 1.253 1.261 0 CA-C-O 117.7 -1.143 . . . . 0.0 110.245 178.605 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 80' ' ' HEM . . . . . 0.436 ' CMB' HD21 ' A' ' 72' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.651 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -69.46 109.49 4.25 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 119.626 1.103 . . . . 0.0 110.631 -179.523 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.7 -36.51 79.23 Favored Glycine 0 N--CA 1.448 -0.511 0 CA-C-O 119.078 -0.846 . . . . 0.0 112.492 178.021 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.49 -23.69 62.98 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-N 118.806 1.303 . . . . 0.0 110.621 177.591 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.87 -29.23 17.64 Favored 'General case' 0 N--CA 1.443 -0.814 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 177.935 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 93.4 mt -73.12 -42.13 63.24 Favored 'General case' 0 N--CA 1.444 -0.73 0 C-N-CA 118.619 -1.232 . . . . 0.0 108.989 -179.383 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.633 ' HD1' HD22 ' A' ' 72' ' ' LEU . 1.8 t80 -64.75 -9.93 23.89 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 114.96 1.467 . . . . 0.0 114.96 -177.623 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -53.32 -33.66 54.34 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 119.167 0.894 . . . . 0.0 109.988 177.759 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.8 p -72.14 8.66 1.2 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.182 0.993 . . . . 0.0 113.073 178.382 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.9 m -130.79 -35.69 1.43 Allowed 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 125.086 1.354 . . . . 0.0 109.904 -173.441 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.0 mm -43.14 -37.22 0.87 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 C-N-CA 125.488 1.515 . . . . 0.0 110.906 177.142 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -47.82 -40.81 19.35 Favored Glycine 0 CA--C 1.535 1.304 0 CA-C-N 118.124 0.42 . . . . 0.0 112.157 178.097 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 34.2 m -99.68 -46.25 5.49 Favored 'General case' 0 C--N 1.339 0.137 0 C-N-CA 123.763 0.825 . . . . 0.0 110.522 178.935 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.433 ' HB3' ' HA2' ' A' ' 18' ' ' GLY . 92.4 m-70 -74.33 -11.22 60.2 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 114.827 1.417 . . . . 0.0 114.827 -175.639 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 72.95 118.67 0.07 OUTLIER Glycine 0 CA--C 1.533 1.187 0 N-CA-C 119.11 2.404 . . . . 0.0 119.11 174.308 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 54.52 -76.64 0.01 OUTLIER 'General case' 0 C--N 1.341 0.215 0 C-N-CA 128.541 2.737 . . . . 0.0 113.375 176.943 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -112.23 -29.33 7.6 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 126.834 2.054 . . . . 0.0 110.645 -179.265 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.433 ' HA2' ' HB3' ' A' ' 14' ' ' HIS . . . 134.35 32.41 0.34 Allowed Glycine 0 CA--C 1.537 1.417 0 C-N-CA 128.707 3.051 . . . . 0.0 111.57 178.982 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.7 m -87.61 -22.41 24.77 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 114.685 1.365 . . . . 0.0 114.685 -176.633 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.7 ttmm -78.42 143.23 36.95 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.864 0.84 . . . . 0.0 111.26 -178.012 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.66 80.65 1.53 Allowed 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 106.309 -1.737 . . . . 0.0 106.309 175.823 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -41.16 136.72 1.51 Allowed 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 116.264 1.95 . . . . 0.0 116.264 -176.037 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 42.3 tpp 17.79 -49.45 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.644 1 C-N-CA 134.72 5.208 . . . . 0.0 118.86 176.526 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.439 ' H ' HMD1 ' A' ' 80' ' ' HEM . . . -79.15 -30.8 44.94 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 120.725 -1.234 . . . . 0.0 110.222 177.852 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 60.8 m 117.34 55.19 0.0 OUTLIER 'General case' 0 CA--C 1.528 0.114 1 C-N-CA 132.655 4.382 . . . . 0.0 105.295 -178.218 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.86 156.1 11.96 Favored 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 115.602 1.705 . . . . 0.0 115.602 -176.524 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.6 mtmm -68.33 127.95 93.19 Favored Pre-proline 0 N--CA 1.446 -0.637 0 N-CA-C 100.793 -3.78 . . . . 0.0 100.793 170.924 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -52.45 117.78 3.99 Favored 'Trans proline' 0 N--CA 1.455 -0.742 0 CA-C-N 121.595 1.605 . . . . 0.0 109.243 -178.21 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.1 m -60.29 -23.39 27.67 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 -179.372 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.3 tttp -53.34 93.2 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.525 0 CA-C-O 123.288 1.518 . . . . 0.0 111.91 173.889 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 83.09 31.13 29.4 Favored Glycine 0 N--CA 1.442 -0.908 0 CA-C-N 112.306 -2.225 . . . . 0.0 111.799 177.445 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -65.44 -36.63 84.49 Favored 'General case' 0 N--CA 1.437 -1.124 0 N-CA-C 106.273 -1.751 . . . . 0.0 106.273 177.272 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 123.75 121.94 2.67 Favored Glycine 0 C--O 1.218 -0.852 0 C-N-CA 127.851 2.643 . . . . 0.0 109.708 176.24 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.25 -47.6 12.83 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 120.611 2.206 . . . . 0.0 112.46 -178.454 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -59.49 -44.72 93.01 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 179.375 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.89 -63.76 1.14 Allowed 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 126.209 1.804 . . . . 0.0 108.17 179.886 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 27.6 mt -48.32 -45.58 35.31 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 126.935 2.094 . . . . 0.0 110.503 179.873 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -70.54 -45.7 65.01 Favored 'General case' 0 N--CA 1.45 -0.455 0 O-C-N 122.092 -0.38 . . . . 0.0 111.517 -179.053 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -59.88 -41.1 90.84 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 179.25 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -64.93 -50.06 67.96 Favored 'General case' 0 N--CA 1.438 -1.062 0 C-N-CA 124.015 0.926 . . . . 0.0 109.899 179.939 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 55.6 mtm -62.57 -36.95 84.29 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-O 117.832 -1.08 . . . . 0.0 110.276 178.634 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.29 -48.31 80.89 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 106.818 -1.549 . . . . 0.0 106.818 176.576 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -51.52 -51.7 36.55 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 177.66 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -69.38 -35.48 75.86 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 118.313 1.057 . . . . 0.0 111.477 179.15 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.34 -53.45 57.14 Favored 'General case' 0 CA--C 1.522 -0.099 0 C-N-CA 124.923 1.289 . . . . 0.0 108.796 -178.854 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -76.26 -37.65 57.31 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 177.918 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.96 22.35 8.02 Favored Glycine 0 CA--C 1.532 1.098 0 C-N-CA 125.503 1.525 . . . . 0.0 112.994 178.746 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.3 t -102.97 38.97 1.63 Allowed 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.615 1.166 . . . . 0.0 110.381 -179.885 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -159.0 161.39 36.65 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 179.66 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -145.85 -178.17 21.12 Favored Glycine 0 CA--C 1.524 0.637 0 CA-C-O 121.644 0.58 . . . . 0.0 112.813 -178.764 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 176.55 175.1 43.61 Favored Glycine 0 N--CA 1.425 -2.052 1 C-N-CA 130.863 4.078 . . . . 0.0 106.834 -178.587 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.9 tp10 -50.55 -43.89 56.31 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 124.632 1.173 . . . . 0.0 111.078 -179.529 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.411 ' HG2' HMD3 ' A' ' 80' ' ' HEM . 32.0 mmt180 -111.36 34.21 4.23 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.748 0.819 . . . . 0.0 110.94 -179.139 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 53.1 pttt -45.9 -41.15 11.04 Favored 'General case' 0 C--N 1.34 0.186 0 C-N-CA 124.635 1.174 . . . . 0.0 113.451 -179.573 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.59 -51.29 63.5 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 122.091 0.156 . . . . 0.0 110.783 -178.368 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 93.9 mmm -57.61 -46.74 83.7 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 179.019 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 39.9 mmm -56.82 -63.09 1.32 Allowed 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.144 179.676 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 99.1 m -47.33 -48.14 25.5 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 124.723 1.209 . . . . 0.0 110.166 178.222 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.74 -42.12 92.47 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 118.339 0.518 . . . . 0.0 110.769 179.967 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.11 -30.55 60.9 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.35 0.523 . . . . 0.0 112.234 -178.648 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 79.6 t -86.07 -51.6 13.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 125.413 1.485 . . . . 0.0 114.079 -176.241 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -48.77 -30.61 5.85 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.86 1.264 . . . . 0.0 113.314 -176.884 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 25.2 pttm -69.26 -21.46 63.9 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 118.846 0.748 . . . . 0.0 112.673 -179.925 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -86.03 167.67 14.81 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-O 123.852 1.787 . . . . 0.0 111.385 -179.091 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 92.4 p -97.3 166.31 11.61 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 128.632 2.773 . . . . 0.0 109.366 178.643 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -57.95 -37.82 74.83 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 177.46 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.24 -54.16 28.32 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.514 1.126 . . . . 0.0 109.201 179.476 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.53 -48.17 72.27 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 178.633 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 83.1 mt -60.48 -42.51 96.41 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 179.11 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 16.6 ttmm -59.88 -48.59 81.09 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 121.678 -0.639 . . . . 0.0 109.402 179.038 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.51 -42.9 97.33 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 -179.728 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.633 HD22 ' HD1' ' A' ' 7' ' ' TYR . 12.4 mt -61.33 -47.98 83.44 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-O 119.203 -0.427 . . . . 0.0 111.181 179.188 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.34 -43.74 96.87 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 -179.292 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -54.34 -50.74 66.73 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 178.044 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -57.59 -59.45 5.16 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 122.941 0.496 . . . . 0.0 109.729 178.586 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.418 ' HA ' HD13 ' A' ' 79' ' ' LEU . 54.6 mtm -49.18 -44.42 43.0 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.665 0.666 . . . . 0.0 112.361 179.05 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.5 t -64.58 -7.12 9.2 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 117.848 -1.072 . . . . 0.0 112.982 -179.051 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -110.83 9.17 22.53 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.841 1.256 . . . . 0.0 111.638 178.963 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.418 HD13 ' HA ' ' A' ' 76' ' ' MET . 0.5 OUTLIER . . . . . 0 C--O 1.253 1.256 0 CA-C-O 117.509 -1.234 . . . . 0.0 109.292 176.498 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 80' ' ' HEM . . . . . 0.439 HMD1 ' H ' ' A' ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.598 0 CA-C-O 118.058 -0.973 . . . . 0.0 108.494 . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -62.94 138.4 58.54 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 118.723 0.692 . . . . 0.0 110.686 179.92 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.59 -60.81 7.25 Favored Glycine 0 N--CA 1.447 -0.611 0 N-CA-C 109.711 -1.356 . . . . 0.0 109.711 179.558 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -48.05 -44.83 31.56 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 117.25 0.525 . . . . 0.0 110.962 -179.604 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.02 -44.59 78.89 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-O 119.494 -0.289 . . . . 0.0 111.69 -179.616 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 51.9 mt -69.86 -47.28 63.23 Favored 'General case' 0 N--CA 1.439 -1.007 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 179.197 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -53.42 -23.93 11.18 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.375 1.07 . . . . 0.0 113.883 -178.078 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -52.46 -35.47 52.58 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.387 -0.82 . . . . 0.0 110.416 176.719 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 m -69.09 -5.25 20.93 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.36 1.064 . . . . 0.0 113.37 -179.486 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.7 m -112.7 -37.93 4.74 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 127.312 2.245 . . . . 0.0 111.157 -175.203 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.1 mp -45.86 -29.34 0.89 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 125.726 1.611 . . . . 0.0 112.387 -179.903 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -55.31 -45.6 82.62 Favored Glycine 0 CA--C 1.536 1.359 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 177.223 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.3 m -89.47 -41.57 11.98 Favored 'General case' 0 C--N 1.339 0.12 0 O-C-N 122.157 -0.614 . . . . 0.0 110.034 179.187 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 84.7 m-70 -73.89 -9.83 59.04 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 113.539 0.94 . . . . 0.0 113.539 -177.297 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.95 90.37 0.02 OUTLIER Glycine 0 CA--C 1.524 0.606 0 N-CA-C 116.68 1.432 . . . . 0.0 116.68 175.03 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 66.12 -47.54 0.42 Allowed 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 127.069 2.148 . . . . 0.0 114.7 175.96 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 43.6 p-10 -134.81 -74.84 0.46 Allowed 'General case' 0 N--CA 1.436 -1.128 0 C-N-CA 126.474 1.91 . . . . 0.0 109.211 -179.742 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 176.84 26.54 0.03 OUTLIER Glycine 0 CA--C 1.524 0.642 0 C-N-CA 126.015 1.769 . . . . 0.0 109.761 179.917 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.7 p -79.42 -51.86 8.82 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 125.537 1.535 . . . . 0.0 108.297 -179.994 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -56.16 119.95 6.75 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.032 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.15 84.35 0.53 Allowed 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 106.771 -1.566 . . . . 0.0 106.771 178.54 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -35.63 126.91 0.66 Allowed 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 125.593 1.557 . . . . 0.0 114.099 -175.441 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 85.6 mmm 16.74 -74.95 0.0 OUTLIER 'General case' 0 C--N 1.344 0.348 0 C-N-CA 130.883 3.673 . . . . 0.0 113.246 179.727 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.4 46.21 1.89 Allowed Glycine 0 CA--C 1.534 1.258 0 N-CA-C 111.542 -0.623 . . . . 0.0 111.542 176.978 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.1 m 45.78 52.42 9.63 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 126.826 2.05 . . . . 0.0 112.578 178.611 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.97 135.14 56.17 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 118.736 -1.186 . . . . 0.0 112.596 179.887 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 31.9 mmtt -67.08 117.2 43.69 Favored Pre-proline 0 CA--C 1.535 0.403 0 N-CA-C 102.566 -3.124 . . . . 0.0 102.566 176.736 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 0.8 OUTLIER -20.6 103.62 0.01 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.643 1 C-N-CA 125.993 4.462 . . . . 0.0 115.616 -174.873 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 37.7 t -57.24 -35.22 47.9 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 N-CA-C 106.675 -1.602 . . . . 0.0 106.675 177.699 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -65.5 92.82 0.14 Allowed 'General case' 0 CA--C 1.514 -0.406 0 CA-C-O 122.38 1.086 . . . . 0.0 108.291 174.723 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 131.55 -14.31 5.31 Favored Glycine 0 CA--C 1.523 0.565 0 CA-C-N 112.716 -2.038 . . . . 0.0 112.507 179.274 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -66.9 147.41 53.27 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 119.15 1.475 . . . . 0.0 107.483 178.909 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -88.41 146.3 19.44 Favored Glycine 0 CA--C 1.53 1.01 0 CA-C-O 118.951 -0.916 . . . . 0.0 113.982 -175.84 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.62 -49.29 14.39 Favored 'General case' 0 C--N 1.343 0.318 0 CA-C-N 119.309 1.555 . . . . 0.0 112.644 -178.493 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -59.06 -42.98 91.63 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 -179.649 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -60.13 -63.93 1.13 Allowed 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 124.992 1.317 . . . . 0.0 107.755 179.254 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 37.7 mt -46.75 -46.06 20.16 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 126.752 2.021 . . . . 0.0 110.705 -179.273 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -71.0 -47.29 59.64 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 123.287 0.635 . . . . 0.0 111.556 -179.342 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.53 -41.16 89.38 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 179.594 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp -65.15 -51.18 62.72 Favored 'General case' 0 N--CA 1.437 -1.099 0 C-N-CA 124.654 1.181 . . . . 0.0 109.963 -179.457 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 58.2 mtm -62.67 -38.44 90.35 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-O 117.622 -1.18 . . . . 0.0 109.798 178.632 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -59.46 -45.09 92.62 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 120.74 1.609 . . . . 0.0 106.803 176.25 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -50.26 -49.69 36.98 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 124.363 0.983 . . . . 0.0 110.9 177.07 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -71.26 -54.6 10.34 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.247 -1.149 . . . . 0.0 109.842 179.009 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -40.93 -53.85 2.85 Favored 'General case' 0 CA--C 1.527 0.083 0 C-N-CA 128.101 2.56 . . . . 0.0 111.533 -178.795 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -160.44 53.2 0.32 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.02 0.928 . . . . 0.0 110.197 -177.028 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -155.15 20.66 0.56 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 120.556 -1.34 . . . . 0.0 112.339 178.399 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.1 t 39.06 42.28 0.67 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 128.337 2.655 . . . . 0.0 112.931 179.069 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -75.63 162.22 28.44 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 176.888 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -135.98 -177.46 15.01 Favored Glycine 0 C--N 1.338 0.665 0 CA-C-O 122.007 0.782 . . . . 0.0 114.653 -178.564 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 168.83 176.58 39.1 Favored Glycine 0 N--CA 1.426 -1.984 1 C-N-CA 130.791 4.044 . . . . 0.0 107.22 -177.66 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -57.18 -28.03 62.46 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 125.3 1.44 . . . . 0.0 112.692 -179.709 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 87.3 mmt-85 -126.21 32.98 5.11 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.498 1.119 . . . . 0.0 110.171 178.738 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -47.98 -40.4 22.34 Favored 'General case' 0 N--CA 1.437 -1.105 0 C-N-CA 125.067 1.347 . . . . 0.0 113.706 -179.973 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.7 -51.69 63.92 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 122.51 0.324 . . . . 0.0 110.588 -178.254 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.594 ' HG2' HBC2 ' A' ' 80' ' ' HEM . 42.0 tpp -59.28 -46.59 88.11 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 178.932 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 44.0 mmm -55.16 -59.97 4.03 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.929 -179.738 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 35.1 m -52.98 -43.67 66.6 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 123.656 0.782 . . . . 0.0 110.276 178.195 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.95 -43.7 98.32 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 119.488 1.04 . . . . 0.0 110.634 179.506 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.7 -42.54 73.94 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-O 121.48 0.657 . . . . 0.0 111.706 -178.572 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 76.6 t -74.4 -44.07 48.64 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 C-N-CA 126.16 1.784 . . . . 0.0 113.259 -176.72 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.3 tptm -53.78 -32.95 54.32 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.199 1.0 . . . . 0.0 113.033 -177.132 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.4 pttp -74.64 -8.5 56.57 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 118.84 0.745 . . . . 0.0 112.286 -179.946 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -97.39 -179.41 4.48 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-O 122.622 1.201 . . . . 0.0 108.668 178.506 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 35.2 t -136.06 170.65 15.67 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 126.96 2.104 . . . . 0.0 109.112 179.161 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -41.98 -49.84 4.61 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 125.705 1.602 . . . . 0.0 112.828 -177.413 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -61.87 -48.71 79.29 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.167 0.587 . . . . 0.0 110.63 -178.639 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -61.39 -47.01 87.78 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.444 0.698 . . . . 0.0 109.419 179.882 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 88.2 mt -60.52 -45.04 95.28 Favored 'General case' 0 CA--C 1.528 0.124 0 N-CA-C 109.616 -0.512 . . . . 0.0 109.616 179.267 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -61.0 -42.9 99.33 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 178.889 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.99 -48.15 77.53 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 -179.824 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 72' ' ' LEU . 15.4 mt -58.53 -51.96 67.67 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-O 119.147 -0.454 . . . . 0.0 110.864 179.423 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.44 -41.17 98.53 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-O 118.818 -0.611 . . . . 0.0 110.083 -178.478 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -54.4 -49.54 69.66 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 177.413 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -60.55 -59.31 5.61 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 178.553 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 71.5 mtm -50.83 -29.63 12.24 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 177.825 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.2 t -72.07 -23.28 61.33 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 120.743 -1.223 . . . . 0.0 112.34 -179.803 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -110.54 27.34 9.74 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 118.83 0.741 . . . . 0.0 109.283 177.984 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 21.4 tp . . . . . 0 C--O 1.25 1.094 0 C-N-CA 127.092 2.157 . . . . 0.0 111.273 -179.735 . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 80' ' ' HEM . . . . . 0.594 HBC2 ' HG2' ' A' ' 56' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.666 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -83.56 81.78 8.59 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-O 118.491 -0.766 . . . . 0.0 110.513 -178.88 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -36.54 -48.22 1.23 Allowed Glycine 0 C--N 1.339 0.721 0 C-N-CA 126.204 1.859 . . . . 0.0 112.78 -179.09 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -49.34 -28.87 5.38 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 179.848 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -85.71 -29.81 23.63 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 119.126 0.875 . . . . 0.0 109.752 -178.415 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.449 ' N ' HD12 ' A' ' 6' ' ' LEU . 5.4 mp -74.61 -39.41 62.17 Favored 'General case' 0 N--CA 1.439 -1.012 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 -179.745 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.484 ' N ' HD21 ' A' ' 72' ' ' LEU . 2.5 t80 -69.15 -14.13 62.82 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 115.738 1.755 . . . . 0.0 115.738 -178.246 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -50.48 -46.15 56.74 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 119.393 0.997 . . . . 0.0 112.91 -177.881 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.31 -23.58 67.35 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.46 0.704 . . . . 0.0 112.757 179.827 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.9 m -85.63 -35.99 20.61 Favored 'General case' 0 CA--C 1.515 -0.369 0 C-N-CA 125.799 1.64 . . . . 0.0 109.838 -177.249 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -48.64 -31.63 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 C-N-CA 124.774 1.23 . . . . 0.0 110.54 179.357 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -58.64 -43.6 96.12 Favored Glycine 0 CA--C 1.535 1.335 0 CA-C-N 118.473 0.579 . . . . 0.0 112.073 177.895 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.3 m -90.38 -39.1 12.88 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 117.939 0.869 . . . . 0.0 111.702 -178.568 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -91.0 -23.54 20.36 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 115.145 1.535 . . . . 0.0 115.145 -176.481 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 86.44 156.24 28.06 Favored Glycine 0 CA--C 1.527 0.796 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.208 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.06 -43.81 63.99 Favored 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 123.642 0.777 . . . . 0.0 110.269 179.656 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 51.8 p30 -87.89 12.62 12.69 Favored 'General case' 0 N--CA 1.437 -1.105 0 C-N-CA 126.631 1.972 . . . . 0.0 113.209 -179.996 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.512 ' HA3' HD21 ' A' ' 79' ' ' LEU . . . 48.24 19.97 1.3 Allowed Glycine 0 CA--C 1.527 0.806 0 C-N-CA 125.49 1.519 . . . . 0.0 115.443 -179.727 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.3 m -95.52 -10.14 30.51 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 117.941 0.871 . . . . 0.0 112.733 -176.309 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -72.36 115.45 11.63 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 178.73 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.78 85.06 0.66 Allowed 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 105.714 -1.958 . . . . 0.0 105.714 177.344 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.26 146.18 3.92 Favored 'General case' 0 N--CA 1.443 -0.775 0 C-N-CA 125.995 1.718 . . . . 0.0 115.413 -176.22 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 46.3 tpp 28.78 -86.7 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 130.409 3.483 . . . . 0.0 114.517 178.166 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.86 -28.67 63.61 Favored Glycine 0 CA--C 1.526 0.729 0 C-N-CA 123.528 0.585 . . . . 0.0 113.608 -178.668 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 42.3 m 114.5 65.28 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.205 1 C-N-CA 131.918 4.087 . . . . 0.0 104.799 -177.823 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.438 ' CB ' HAD1 ' A' ' 80' ' ' HEM . . . -56.01 146.43 22.55 Favored 'General case' 0 N--CA 1.438 -1.071 0 N-CA-C 116.675 2.102 . . . . 0.0 116.675 -177.731 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.1 mtmm -64.79 115.27 19.18 Favored Pre-proline 0 CA--C 1.537 0.449 0 N-CA-C 102.711 -3.07 . . . . 0.0 102.711 171.69 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -34.74 113.49 0.08 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.506 0 C-N-CA 123.93 3.087 . . . . 0.0 112.538 -177.682 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 33.5 m -64.73 -29.8 48.43 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 -179.609 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 42.2 tptt -54.1 108.49 0.37 Allowed 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 124.235 1.014 . . . . 0.0 110.496 172.777 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 107.65 -13.25 38.92 Favored Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 114.192 -1.367 . . . . 0.0 111.332 177.623 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.416 ' HB2' HD21 ' A' ' 37' ' ' LEU . 76.5 mt-30 -64.95 142.83 58.3 Favored 'General case' 0 N--CA 1.438 -1.025 0 N-CA-C 106.068 -1.827 . . . . 0.0 106.068 177.7 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -83.97 146.17 22.93 Favored Glycine 0 CA--C 1.526 0.774 0 CA-C-O 118.601 -1.111 . . . . 0.0 112.998 -175.694 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.07 -50.83 10.73 Favored 'General case' 0 CA--C 1.517 -0.311 0 C-N-CA 125.862 1.665 . . . . 0.0 112.222 -178.519 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -55.75 -48.5 75.16 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 -179.939 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -59.39 -61.81 2.35 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 124.166 0.986 . . . . 0.0 108.548 179.706 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.416 HD21 ' HB2' ' A' ' 32' ' ' GLN . 14.2 mt -49.08 -41.77 36.6 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 125.71 1.604 . . . . 0.0 112.064 179.866 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -77.12 -40.51 45.52 Favored 'General case' 0 N--CA 1.445 -0.693 0 O-C-N 121.949 -0.47 . . . . 0.0 110.925 -176.852 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -61.49 -43.33 99.06 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 107.376 -1.342 . . . . 0.0 107.376 178.41 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -64.66 -54.39 32.56 Favored 'General case' 0 N--CA 1.436 -1.152 0 C-N-CA 124.179 0.991 . . . . 0.0 110.366 -179.699 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 52.5 mtm -61.75 -37.13 83.11 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-O 118.066 -0.969 . . . . 0.0 110.685 179.704 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -62.97 -44.68 95.38 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 120.207 1.367 . . . . 0.0 107.341 177.318 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -53.01 -45.39 62.14 Favored Glycine 0 CA--C 1.531 1.091 0 N-CA-C 110.236 -1.145 . . . . 0.0 110.236 176.819 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -69.48 -46.36 66.82 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 117.924 0.862 . . . . 0.0 110.127 178.175 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -48.34 -51.79 24.58 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 126.608 1.963 . . . . 0.0 109.853 -178.648 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -88.13 10.25 19.96 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.219 1.008 . . . . 0.0 112.583 -178.689 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 52.92 34.52 45.9 Favored Glycine 0 CA--C 1.532 1.115 0 CA-C-N 119.027 0.83 . . . . 0.0 113.001 -179.899 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.2 t -99.64 -25.05 14.53 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.869 1.268 . . . . 0.0 110.175 -179.841 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -121.65 148.5 44.48 Favored 'General case' 0 C--N 1.34 0.16 0 N-CA-C 106.943 -1.503 . . . . 0.0 106.943 178.719 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 149.36 -176.21 28.21 Favored Glycine 0 C--N 1.335 0.478 0 CA-C-O 122.316 0.953 . . . . 0.0 112.652 176.881 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.414 ' H ' ' HB2' ' A' ' 54' ' ' LYS . . . -179.26 -173.96 44.94 Favored Glycine 0 N--CA 1.425 -2.05 1 C-N-CA 132.904 5.05 . . . . 0.0 106.269 -177.848 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.4 mp0 -47.37 -58.98 3.53 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 124.786 1.235 . . . . 0.0 110.161 -179.241 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.432 HH11 ' CGD' ' A' ' 80' ' ' HEM . 72.4 mtt180 -47.04 -47.49 22.47 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 122.541 1.163 . . . . 0.0 111.181 178.459 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.416 ' HA ' ' HB2' ' A' ' 57' ' ' MET . 71.8 mttt -83.29 3.32 31.88 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 127.196 2.198 . . . . 0.0 114.131 -174.209 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.8 -46.49 62.73 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 107.096 -1.446 . . . . 0.0 107.096 176.919 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 64.8 mtt -59.62 -42.54 92.91 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 178.025 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.416 ' HB2' ' HA ' ' A' ' 54' ' ' LYS . 51.1 mmm -56.14 -61.46 2.37 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 177.619 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 86.1 m -46.01 -50.59 14.8 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.895 0.878 . . . . 0.0 109.871 177.946 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 15.8 t30 -56.71 -34.17 67.21 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 122.975 0.51 . . . . 0.0 111.847 179.497 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.31 -63.57 1.39 Allowed 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 119.205 0.911 . . . . 0.0 108.866 178.151 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 71.4 t -42.81 -42.88 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 127.95 2.5 . . . . 0.0 112.98 -177.71 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -53.34 -25.1 13.84 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 113.451 0.908 . . . . 0.0 113.451 -178.562 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.58 -10.38 59.47 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 119.815 1.189 . . . . 0.0 112.683 -179.719 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -107.58 142.38 37.59 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-O 122.413 1.101 . . . . 0.0 108.577 -178.607 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 86.7 p -77.91 171.19 15.36 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 126.792 2.037 . . . . 0.0 109.616 178.919 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.7 p-10 -57.58 -39.53 76.98 Favored 'General case' 0 CA--C 1.534 0.363 0 O-C-N 121.838 -0.539 . . . . 0.0 109.944 177.429 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.2 tm-20 -66.77 -51.36 56.72 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.226 1.01 . . . . 0.0 109.401 179.593 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -58.69 -45.95 88.34 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 122.066 -0.396 . . . . 0.0 110.273 179.716 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 55.6 mt -59.16 -42.69 91.35 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 178.175 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -61.86 -40.22 94.62 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.851 -0.53 . . . . 0.0 109.586 178.21 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.95 -46.43 84.71 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 179.487 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.484 HD21 ' N ' ' A' ' 7' ' ' TYR . 13.1 mt -56.56 -51.51 68.3 Favored 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 178.113 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.44 -40.34 90.74 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 118.876 -0.583 . . . . 0.0 109.964 -179.21 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -56.43 -48.42 77.04 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 177.726 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -59.78 -59.6 5.18 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 178.285 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.41 ' O ' ' HB2' ' A' ' 79' ' ' LEU . 70.8 mtm -52.16 -32.71 37.14 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 178.232 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.5 t -70.71 -12.16 61.38 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 120.348 -1.47 . . . . 0.0 111.516 179.727 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -114.74 24.94 11.37 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.99 1.716 . . . . 0.0 108.088 177.61 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.512 HD21 ' HA3' ' A' ' 18' ' ' GLY . 13.7 tp . . . . . 0 C--O 1.253 1.251 0 C-N-CA 125.314 1.446 . . . . 0.0 109.821 -179.36 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 80' ' ' HEM . . . . . 0.438 HAD1 ' CB ' ' A' ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.664 0 N-CA-C 107.537 -1.283 . . . . 0.0 107.537 . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -82.27 86.83 6.6 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 -179.866 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -45.43 -52.89 8.5 Favored Glycine 0 CA--C 1.528 0.851 0 C-N-CA 123.949 0.785 . . . . 0.0 112.039 -179.652 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.25 -31.43 43.4 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.578 0.751 . . . . 0.0 112.77 179.382 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.95 -22.97 33.63 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 119.152 -0.452 . . . . 0.0 110.347 -178.745 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.438 ' CB ' HD13 ' A' ' 72' ' ' LEU . 10.9 mt -85.43 -27.51 25.7 Favored 'General case' 0 N--CA 1.437 -1.101 0 N-CA-C 105.61 -1.996 . . . . 0.0 105.61 -179.777 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.446 ' CE1' ' SD ' ' A' ' 76' ' ' MET . 0.6 OUTLIER -74.11 -12.9 60.73 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 178.067 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.4 tptt -50.62 -43.5 56.93 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.689 0.796 . . . . 0.0 112.983 -177.973 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 p -69.03 -19.86 64.12 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.672 1.189 . . . . 0.0 112.909 -179.899 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.5 m -90.59 -38.74 12.95 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 126.861 2.064 . . . . 0.0 109.728 -176.398 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -46.54 -30.91 1.37 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 C-N-CA 125.955 1.702 . . . . 0.0 110.747 178.676 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -56.2 -47.94 78.06 Favored Glycine 0 CA--C 1.535 1.339 0 O-C-N 121.533 -0.73 . . . . 0.0 111.763 177.698 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.6 m -86.15 -42.7 13.64 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 117.902 0.851 . . . . 0.0 110.533 -179.518 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 56.5 m-70 -80.21 -11.69 59.71 Favored 'General case' 0 N--CA 1.431 -1.411 0 N-CA-C 115.437 1.643 . . . . 0.0 115.437 -175.762 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 84.35 154.42 20.05 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 110.306 -1.117 . . . . 0.0 110.306 -179.225 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -32.89 -57.8 0.37 Allowed 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 126.897 2.079 . . . . 0.0 113.512 -178.433 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -109.72 38.51 2.35 Favored 'General case' 0 N--CA 1.436 -1.17 0 C-N-CA 126.172 1.789 . . . . 0.0 111.844 -179.215 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 52.8 29.7 34.38 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 124.26 0.933 . . . . 0.0 114.558 178.143 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.0 p -90.14 -30.73 17.45 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 126.688 1.995 . . . . 0.0 113.246 -177.361 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -72.9 125.53 27.8 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 -178.246 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.36 84.12 0.79 Allowed 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 107.079 -1.452 . . . . 0.0 107.079 178.398 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -38.9 126.21 1.54 Allowed 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 125.636 1.574 . . . . 0.0 114.986 -176.098 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 88.4 mmm 23.68 -76.74 0.0 OUTLIER 'General case' 0 C--N 1.342 0.249 1 C-N-CA 131.822 4.049 . . . . 0.0 115.099 178.336 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -51.27 -40.39 45.15 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 110.627 -0.989 . . . . 0.0 110.627 178.929 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 43.8 t 126.25 55.75 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 130.962 3.705 . . . . 0.0 107.115 179.612 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.06 133.53 48.76 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 113.596 0.961 . . . . 0.0 113.596 -178.908 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -61.57 114.32 10.72 Favored Pre-proline 0 CA--C 1.54 0.589 0 N-CA-C 101.904 -3.369 . . . . 0.0 101.904 172.589 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo -29.82 114.84 0.05 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 124.568 3.512 . . . . 0.0 113.504 -174.801 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.0 m -63.06 -19.81 24.44 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 179.301 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.493 ' HA ' HD23 ' A' ' 79' ' ' LEU . 47.9 tttp -59.85 98.6 0.05 Allowed 'General case' 0 CA--C 1.513 -0.443 0 CA-C-O 122.303 1.049 . . . . 0.0 110.3 175.567 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 112.11 -7.41 27.12 Favored Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 113.037 -1.892 . . . . 0.0 112.027 177.874 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -63.36 145.45 55.56 Favored 'General case' 0 N--CA 1.442 -0.86 0 N-CA-C 105.318 -2.105 . . . . 0.0 105.318 176.582 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.1 145.38 33.4 Favored Glycine 0 CA--C 1.527 0.818 0 O-C-N 120.826 -1.172 . . . . 0.0 113.603 -175.114 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.32 -49.08 24.88 Favored 'General case' 0 C--N 1.34 0.158 0 CA-C-N 120.004 1.902 . . . . 0.0 111.204 179.297 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -56.73 -48.17 78.35 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 109.011 -0.736 . . . . 0.0 109.011 179.178 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -55.84 -65.87 0.52 Allowed 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 178.76 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.9 mt -48.23 -41.51 27.7 Favored 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 125.416 1.486 . . . . 0.0 111.82 -179.294 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -72.88 -40.13 65.86 Favored 'General case' 0 N--CA 1.449 -0.524 0 O-C-N 121.533 -0.73 . . . . 0.0 110.863 -178.163 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.9 tttp -64.36 -42.76 96.04 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 179.024 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 24.9 mmtp -62.48 -52.93 61.54 Favored 'General case' 0 N--CA 1.439 -1.002 0 C-N-CA 124.676 1.19 . . . . 0.0 109.511 -179.442 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 69.1 mtm -64.81 -39.33 93.42 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 117.948 -1.025 . . . . 0.0 111.173 179.711 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.3 tttp -59.09 -44.1 91.88 Favored 'General case' 0 CA--C 1.528 0.107 0 N-CA-C 106.973 -1.492 . . . . 0.0 106.973 177.068 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.47 -45.16 93.32 Favored Glycine 0 CA--C 1.532 1.129 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 177.522 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -74.02 -30.43 62.44 Favored 'General case' 0 C--O 1.225 -0.202 0 O-C-N 121.386 -1.067 . . . . 0.0 112.143 179.705 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -46.69 -52.98 12.66 Favored 'General case' 0 N--CA 1.462 0.132 0 C-N-CA 125.375 1.47 . . . . 0.0 108.148 -179.773 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -86.19 -40.12 15.93 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 176.613 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.77 27.7 4.24 Favored Glycine 0 CA--C 1.528 0.876 0 C-N-CA 124.495 1.045 . . . . 0.0 113.598 178.052 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.5 p -80.78 -46.88 14.72 Favored 'General case' 0 N--CA 1.426 -1.656 0 C-N-CA 125.29 1.436 . . . . 0.0 109.082 179.172 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -72.59 150.25 43.26 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 178.83 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -119.95 -172.59 14.96 Favored Glycine 0 C--N 1.335 0.511 0 CA-C-O 121.727 0.626 . . . . 0.0 114.003 -178.036 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 159.46 172.53 26.72 Favored Glycine 0 N--CA 1.424 -2.1 0 C-N-CA 127.856 2.646 . . . . 0.0 108.694 -178.419 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -53.41 -32.8 51.26 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 126.657 1.983 . . . . 0.0 111.946 -179.36 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 88.4 mmt-85 -128.59 35.51 4.36 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 123.771 0.828 . . . . 0.0 109.939 179.295 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.86 -37.04 63.25 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -178.257 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.59 -53.22 59.2 Favored 'General case' 0 C--O 1.233 0.2 0 O-C-N 121.954 -0.466 . . . . 0.0 110.12 -179.288 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 26.2 mmt -58.58 -44.42 89.8 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 178.971 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 28.8 mmm -56.54 -56.4 21.78 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 122.808 0.443 . . . . 0.0 110.794 179.309 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 17.8 m -52.44 -50.52 62.43 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 178.236 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -56.64 -35.69 68.65 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 121.512 -0.075 . . . . 0.0 111.013 178.798 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.7 -43.89 62.45 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 123.607 0.763 . . . . 0.0 112.411 -179.087 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.5 m -93.27 -23.7 5.38 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 -174.342 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -50.49 -33.23 20.58 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 120.319 1.418 . . . . 0.0 113.45 -176.521 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 41.4 pttt -69.22 -11.95 61.25 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 112.74 0.644 . . . . 0.0 112.74 -179.866 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 17.4 m-30 -103.11 139.72 38.26 Favored 'General case' 0 N--CA 1.436 -1.157 0 C-N-CA 124.965 1.306 . . . . 0.0 108.423 -179.836 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 77.6 p -82.52 168.49 17.34 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 126.448 1.899 . . . . 0.0 109.638 179.371 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -52.8 -39.61 62.52 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.576 0.75 . . . . 0.0 111.837 179.213 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.2 tm-20 -66.2 -51.94 52.85 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.972 0.909 . . . . 0.0 109.377 179.594 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -57.16 -50.4 72.95 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 179.355 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 37.5 mt -55.55 -44.36 76.71 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 124.386 1.074 . . . . 0.0 110.066 178.682 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -60.9 -45.47 94.51 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.63 -0.508 . . . . 0.0 109.63 179.386 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.94 -43.52 98.56 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 179.813 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.492 HD21 HMB3 ' A' ' 80' ' ' HEM . 13.8 tp -57.71 -51.77 68.19 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 124.003 0.921 . . . . 0.0 109.922 -179.7 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.16 -46.21 88.25 Favored 'General case' 0 C--N 1.34 0.18 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.542 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -51.72 -48.53 63.56 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 179.093 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 32.1 t80 -59.93 -61.82 2.33 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 177.906 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.446 ' HA ' HD22 ' A' ' 79' ' ' LEU . 66.7 mtm -48.6 -30.55 5.48 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 114.065 1.135 . . . . 0.0 114.065 179.41 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.7 t -60.69 -32.33 71.56 Favored 'General case' 0 CA--C 1.534 0.338 0 O-C-N 121.481 -0.762 . . . . 0.0 110.302 179.615 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.5 tptp -89.67 -46.14 8.84 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 106.968 -1.493 . . . . 0.0 106.968 175.621 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.493 HD23 ' HA ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.254 1.305 0 C-N-CA 128.32 2.648 . . . . 0.0 109.587 -178.725 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 80' ' ' HEM . . . . . 0.492 HMB3 HD21 ' A' ' 72' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.764 0 N-CA-C 106.921 -1.511 . . . . 0.0 106.921 . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -63.69 153.43 36.19 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 107.61 -1.255 . . . . 0.0 107.61 177.065 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 76.95 80.47 0.63 Allowed Glycine 0 N--CA 1.429 -1.832 1 N-CA-C 100.047 -5.221 . . . . 0.0 100.047 -171.008 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 123.1 -45.62 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 131.44 3.896 . . . . 0.0 106.893 -174.187 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.5 -36.93 71.27 Favored 'General case' 0 C--N 1.346 0.43 0 C-N-CA 118.304 -1.358 . . . . 0.0 111.54 -177.619 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.459 ' CB ' HD21 ' A' ' 72' ' ' LEU . 14.8 mt -75.3 -37.32 60.89 Favored 'General case' 0 N--CA 1.443 -0.785 0 C-N-CA 117.275 -1.77 . . . . 0.0 109.747 -178.864 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.457 ' HD1' HD22 ' A' ' 72' ' ' LEU . 1.3 t80 -59.02 -17.84 29.01 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 -177.058 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -51.63 -38.06 53.0 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 118.855 0.752 . . . . 0.0 111.112 176.506 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 55.5 p -68.79 -14.85 63.28 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -179.651 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.7 m -100.12 -37.18 9.06 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 126.894 2.077 . . . . 0.0 110.23 -174.903 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.1 mp -47.55 -29.68 1.78 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 C-N-CA 125.456 1.502 . . . . 0.0 109.647 176.745 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -54.0 -46.05 70.23 Favored Glycine 0 CA--C 1.536 1.375 0 O-C-N 121.663 -0.648 . . . . 0.0 112.06 177.088 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.4 m -91.73 -45.06 8.64 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 118.335 1.067 . . . . 0.0 110.356 179.832 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -77.21 -15.14 59.62 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 -175.832 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.2 156.76 26.88 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 110.175 -1.17 . . . . 0.0 110.175 -178.652 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -36.02 -58.83 0.64 Allowed 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 126.218 1.807 . . . . 0.0 112.996 -178.833 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.1 p-10 -98.67 33.46 2.28 Favored 'General case' 0 N--CA 1.44 -0.938 0 C-N-CA 126.228 1.811 . . . . 0.0 112.272 -178.767 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 42.6 40.77 3.96 Favored Glycine 0 CA--C 1.533 1.165 0 C-N-CA 125.086 1.327 . . . . 0.0 114.121 178.839 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.8 p -94.83 -34.67 12.38 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 126.981 2.113 . . . . 0.0 113.642 -176.633 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -66.78 134.57 52.42 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-O 121.261 0.553 . . . . 0.0 110.324 -177.407 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.79 77.09 2.73 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 105.679 -1.971 . . . . 0.0 105.679 176.346 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -35.48 122.92 0.64 Allowed 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 126.199 1.8 . . . . 0.0 114.677 -175.945 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.4 mmt 21.62 -68.74 0.0 OUTLIER 'General case' 0 C--N 1.344 0.334 1 C-N-CA 132.469 4.307 . . . . 0.0 115.563 177.906 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.22 -25.35 39.67 Favored Glycine 0 CA--C 1.529 0.958 0 C-N-CA 123.554 0.597 . . . . 0.0 111.818 178.235 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.3 m 106.74 56.38 0.0 OUTLIER 'General case' 0 C--N 1.334 -0.067 0 C-N-CA 131.288 3.835 . . . . 0.0 106.358 -179.402 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.414 ' CB ' HAD1 ' A' ' 80' ' ' HEM . . . -60.02 144.77 48.52 Favored 'General case' 0 N--CA 1.443 -0.792 0 N-CA-C 116.474 2.027 . . . . 0.0 116.474 -177.306 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.8 pttm -70.79 114.46 27.01 Favored Pre-proline 0 CA--C 1.543 0.688 0 N-CA-C 101.438 -3.542 . . . . 0.0 101.438 171.104 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -31.7 117.57 0.07 OUTLIER 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 124.579 3.519 . . . . 0.0 113.75 -175.626 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 17.3 m -67.35 -22.01 28.44 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 C-N-CA 119.375 -0.93 . . . . 0.0 108.913 -179.49 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.708 ' HA ' HD23 ' A' ' 79' ' ' LEU . 23.7 ttpp -60.03 106.75 0.54 Allowed 'General case' 0 CA--C 1.515 -0.401 0 CA-C-O 122.115 0.959 . . . . 0.0 110.479 176.305 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 105.85 -4.76 39.37 Favored Glycine 0 N--CA 1.448 -0.538 0 CA-C-N 113.289 -1.778 . . . . 0.0 111.731 177.787 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -64.34 146.21 54.78 Favored 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 105.877 -1.897 . . . . 0.0 105.877 177.202 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -76.41 142.94 28.8 Favored Glycine 0 CA--C 1.528 0.846 0 O-C-N 120.865 -1.147 . . . . 0.0 113.695 -175.25 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -46.1 -47.6 17.27 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 119.688 1.744 . . . . 0.0 111.852 179.638 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.3 tm-20 -60.0 -45.09 93.9 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 179.527 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 57.3 tt0 -58.92 -62.85 1.57 Allowed 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.74 1.216 . . . . 0.0 107.98 179.419 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 50.8 mt -45.58 -49.53 13.96 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 126.959 2.103 . . . . 0.0 109.744 179.625 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -65.1 -53.45 45.15 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 123.098 0.559 . . . . 0.0 112.395 -179.925 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.7 tttp -57.38 -41.19 79.71 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 121.533 0.682 . . . . 0.0 109.759 -178.082 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp -68.88 -51.36 41.03 Favored 'General case' 0 N--CA 1.435 -1.204 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.3 -178.647 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 65.6 mtm -62.21 -35.19 78.12 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 118.575 -0.726 . . . . 0.0 110.303 178.989 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -61.05 -45.54 94.34 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 106.864 -1.532 . . . . 0.0 106.864 177.536 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.26 -47.88 84.45 Favored Glycine 0 CA--C 1.534 1.258 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 176.956 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -63.42 -42.21 98.72 Favored 'General case' 0 C--N 1.343 0.289 0 CA-C-N 118.44 1.12 . . . . 0.0 109.467 179.207 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.27 -46.15 76.12 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 125.273 1.429 . . . . 0.0 108.559 179.388 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -72.61 -19.8 61.4 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.833 0.853 . . . . 0.0 111.177 179.826 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.9 -14.1 33.7 Favored Glycine 0 CA--C 1.53 0.979 0 CA-C-N 118.801 0.728 . . . . 0.0 113.544 179.651 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.75 -40.3 79.85 Favored 'General case' 0 N--CA 1.432 -1.364 0 C-N-CA 125.522 1.529 . . . . 0.0 110.926 -179.345 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -88.18 109.55 19.99 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 178.979 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 178.21 -175.72 47.61 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 119.668 -1.254 . . . . 0.0 113.721 177.121 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.565 ' H ' ' HB2' ' A' ' 54' ' ' LYS . . . -168.0 -169.8 31.95 Favored Glycine 0 N--CA 1.427 -1.921 1 C-N-CA 133.604 5.383 . . . . 0.0 107.505 -177.84 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -56.08 -61.28 2.49 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 124.531 1.133 . . . . 0.0 112.074 -178.025 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.34 -44.54 84.36 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 122.544 1.164 . . . . 0.0 109.405 -178.923 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.565 ' HB2' ' H ' ' A' ' 51' ' ' GLY . 64.9 mttm -62.64 -13.55 33.09 Favored 'General case' 0 N--CA 1.438 -1.067 0 C-N-CA 129.168 2.987 . . . . 0.0 112.556 178.182 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.01 -42.31 76.61 Favored 'General case' 0 C--N 1.34 0.155 0 O-C-N 120.788 -1.195 . . . . 0.0 107.865 178.495 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 88.6 mmm -58.31 -44.74 88.73 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 177.777 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 33.0 mmm -56.44 -56.27 23.3 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.199 178.307 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.2 m -52.03 -49.34 63.6 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 178.273 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.06 -37.5 71.92 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 118.064 0.393 . . . . 0.0 110.43 179.001 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.57 -44.88 66.47 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.487 0.715 . . . . 0.0 112.675 -178.868 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.4 m -92.46 -24.58 5.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 N-CA-C 113.695 0.998 . . . . 0.0 113.695 -174.339 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.4 ttmt -52.11 -28.37 17.51 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 119.895 1.225 . . . . 0.0 113.474 -176.305 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -69.33 -16.11 63.47 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 118.469 0.577 . . . . 0.0 112.196 179.078 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.422 ' CE1' HD22 ' A' ' 6' ' ' LEU . 20.8 m-85 -91.28 -168.82 2.15 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 125.77 1.628 . . . . 0.0 109.358 179.623 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 26.7 m -159.83 161.61 34.55 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 127.361 2.265 . . . . 0.0 106.94 -178.81 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -31.31 -48.14 0.12 Allowed 'General case' 0 C--O 1.224 -0.279 0 C-N-CA 126.654 1.982 . . . . 0.0 115.05 -177.171 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 31.3 tp10 -61.17 -52.87 63.02 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 119.152 0.887 . . . . 0.0 110.751 -179.792 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.3 mp0 -65.14 -43.23 92.56 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 124.169 0.988 . . . . 0.0 109.597 -179.683 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 76.6 mt -60.08 -44.1 95.03 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 178.523 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -61.88 -45.21 94.76 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 177.763 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.45 -47.91 82.45 Favored 'General case' 0 C--N 1.339 0.151 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 178.948 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.459 HD21 ' CB ' ' A' ' 6' ' ' LEU . 16.2 mt -58.76 -52.49 65.5 Favored 'General case' 0 N--CA 1.447 -0.622 0 O-C-N 122.002 -0.436 . . . . 0.0 111.571 179.488 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.54 -43.52 97.1 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 -178.566 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -54.85 -44.95 74.44 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 177.969 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -61.43 -66.75 0.49 Allowed 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 178.17 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.538 ' HA ' HD22 ' A' ' 79' ' ' LEU . 54.6 mtm -46.78 -34.73 5.51 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 179.104 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.8 t -58.48 -36.8 74.31 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 118.617 -0.706 . . . . 0.0 110.261 -179.091 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.8 ptmm? -91.95 -35.08 14.2 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 175.944 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.708 HD23 ' HA ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.254 1.298 0 C-N-CA 130.184 3.394 . . . . 0.0 108.639 -178.414 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 80' ' ' HEM . . . . . 0.414 HAD1 ' CB ' ' A' ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.5 t0 . . . . . 0 CA--C 1.533 0.312 0 CA-C-O 120.79 0.328 . . . . 0.0 111.524 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.22 -49.52 67.55 Favored Glycine 0 CA--C 1.528 0.858 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.58 -47.62 69.96 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 118.57 1.185 . . . . 0.0 110.854 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.33 -47.61 85.1 Favored 'General case' 0 N--CA 1.454 -0.244 0 O-C-N 122.355 -0.215 . . . . 0.0 110.751 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.3 mt -59.77 -40.65 88.95 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 118.72 0.691 . . . . 0.0 110.303 -179.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.481 ' N ' HD21 ' A' ' 72' ' ' LEU . 1.8 t80 -76.4 -7.8 55.81 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 115.266 1.58 . . . . 0.0 115.266 -179.324 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.7 tptm -49.12 -38.36 24.79 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -175.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.8 p -71.16 -40.61 71.19 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 122.132 0.968 . . . . 0.0 112.329 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.2 m -62.89 -36.74 84.33 Favored 'General case' 0 CA--C 1.512 -0.517 0 C-N-CA 127.387 2.275 . . . . 0.0 109.408 -175.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -47.39 -30.99 2.0 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.72 0 CA-C-N 113.583 -1.644 . . . . 0.0 109.646 176.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -56.98 -44.16 92.86 Favored Glycine 0 CA--C 1.534 1.222 0 O-C-N 121.67 -0.644 . . . . 0.0 113.042 178.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 m -90.21 -45.64 8.95 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 118.456 1.128 . . . . 0.0 110.399 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 73.1 m-70 -73.92 -14.9 61.13 Favored 'General case' 0 N--CA 1.431 -1.411 0 C-N-CA 125.834 1.654 . . . . 0.0 114.384 -176.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.16 157.54 32.18 Favored Glycine 0 CA--C 1.527 0.817 0 N-CA-C 109.559 -1.416 . . . . 0.0 109.559 -179.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.38 -47.46 26.2 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.34 1.056 . . . . 0.0 111.714 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 51.7 p-10 -90.76 15.86 10.37 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 127.387 2.275 . . . . 0.0 112.892 -179.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.676 ' HA3' HD21 ' A' ' 79' ' ' LEU . . . 44.5 28.52 1.55 Allowed Glycine 0 CA--C 1.533 1.199 0 C-N-CA 125.197 1.38 . . . . 0.0 114.284 -179.146 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.5 m -107.77 -11.53 15.38 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.699 0.799 . . . . 0.0 111.52 -178.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.3 124.01 22.71 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 105.757 -1.942 . . . . 0.0 105.757 178.35 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.04 86.09 0.14 Allowed 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 179.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -40.39 126.77 2.3 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 125.504 1.522 . . . . 0.0 114.08 -175.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.7 mmt 22.81 -74.54 0.0 OUTLIER 'General case' 0 C--N 1.341 0.219 1 C-N-CA 131.802 4.041 . . . . 0.0 115.136 178.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -51.41 -43.92 52.46 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 110.297 -1.121 . . . . 0.0 110.297 179.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 74.4 p 131.39 55.59 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 131.641 3.976 . . . . 0.0 107.708 179.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.18 144.62 23.64 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 -177.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm -63.43 123.89 82.48 Favored Pre-proline 0 N--CA 1.451 -0.419 0 N-CA-C 102.498 -3.149 . . . . 0.0 102.498 173.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_exo -37.82 112.02 0.11 Allowed 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 123.353 2.702 . . . . 0.0 111.52 -177.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.5 t -61.28 -35.77 68.39 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 -177.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.79 ' HA ' HD23 ' A' ' 79' ' ' LEU . 38.4 tttp -48.37 105.95 0.09 Allowed 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 122.848 1.309 . . . . 0.0 113.369 179.515 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 68.48 37.62 85.73 Favored Glycine 0 N--CA 1.441 -0.968 0 CA-C-N 112.59 -2.095 . . . . 0.0 110.522 177.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -58.02 -42.26 84.89 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 137.21 119.02 1.78 Allowed Glycine 0 C--O 1.217 -0.91 0 C-N-CA 128.287 2.851 . . . . 0.0 107.601 176.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.02 -46.56 8.45 Favored 'General case' 0 C--O 1.225 -0.197 0 CA-C-N 121.069 2.434 . . . . 0.0 112.441 -178.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -60.65 -44.32 96.57 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 179.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -59.69 -63.8 1.17 Allowed 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 125.969 1.708 . . . . 0.0 108.464 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 32.5 mt -47.01 -50.38 19.33 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 126.417 1.887 . . . . 0.0 110.125 179.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -68.43 -46.35 70.09 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 122.748 0.419 . . . . 0.0 111.755 -178.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -57.81 -42.61 84.64 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 45.9 mttp -70.18 -43.06 71.56 Favored 'General case' 0 N--CA 1.437 -1.085 0 C-N-CA 123.542 0.737 . . . . 0.0 110.378 -178.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -63.41 -43.12 98.43 Favored 'General case' 0 C--O 1.221 -0.399 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.043 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.2 tttp -59.34 -48.2 82.55 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 106.981 -1.489 . . . . 0.0 106.981 177.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -49.62 -51.79 26.82 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.206 -1.158 . . . . 0.0 110.206 177.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -69.66 -37.74 76.83 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.678 1.239 . . . . 0.0 111.333 178.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.09 -49.59 68.75 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.337 1.055 . . . . 0.0 109.202 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -85.46 -25.43 26.92 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.219 0.607 . . . . 0.0 111.673 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.76 18.34 25.57 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 125.516 1.531 . . . . 0.0 114.24 178.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.0 t -102.17 36.4 2.13 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.01 1.324 . . . . 0.0 111.756 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 30.7 t80 . . . . . 0 CA--C 1.529 0.154 0 N-CA-C 107.613 -1.254 . . . . 0.0 107.613 177.748 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.531 0.238 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.96 -51.63 60.73 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.52 0.728 . . . . 0.0 110.395 -178.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 95.7 mmm -57.65 -47.27 82.73 Favored 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 178.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 22.2 mmm -55.01 -60.13 3.79 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 114.777 -1.101 . . . . 0.0 110.114 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 64.7 m -47.77 -51.56 21.9 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 125.139 1.375 . . . . 0.0 110.01 177.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -56.85 -44.08 81.79 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-O 119.46 -0.305 . . . . 0.0 110.785 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.15 -57.19 9.18 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 121.87 0.843 . . . . 0.0 109.6 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 54.4 t -50.18 -37.77 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 C-N-CA 126.802 2.041 . . . . 0.0 112.195 -179.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.1 tppt? -48.37 -29.91 4.45 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.125 0.97 . . . . 0.0 112.338 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 51.9 tttm -58.12 -32.68 68.37 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.021 0.928 . . . . 0.0 112.739 178.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -92.76 -169.45 2.19 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-O 123.589 1.661 . . . . 0.0 111.969 -176.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.7 m -161.63 156.11 22.71 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 129.162 2.985 . . . . 0.0 107.006 -178.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -22.6 -51.88 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 127.927 2.491 . . . . 0.0 116.194 -178.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -67.1 -49.91 63.33 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.545 0.738 . . . . 0.0 110.39 -178.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -63.18 -42.44 99.38 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 87.8 mt -61.06 -46.24 91.49 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 178.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -57.74 -46.93 83.79 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.15 -43.88 97.85 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.481 HD21 ' N ' ' A' ' 7' ' ' TYR . 13.4 mt -59.6 -49.86 76.13 Favored 'General case' 0 N--CA 1.444 -0.73 0 C-N-CA 120.955 -0.298 . . . . 0.0 110.493 179.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.5 -44.15 97.59 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 -179.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -53.42 -49.57 67.04 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 178.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -60.35 -62.53 1.8 Allowed 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 118.327 -0.844 . . . . 0.0 109.084 178.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.408 ' SD ' ' CE1' ' A' ' 7' ' ' TYR . 60.1 mtm -47.74 -31.19 4.53 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 178.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.4 t -67.2 -23.2 65.72 Favored 'General case' 0 CA--C 1.529 0.148 0 O-C-N 121.506 -0.746 . . . . 0.0 112.425 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -103.01 -45.11 5.04 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 177.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.79 HD23 ' HA ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.243 0 C-N-CA 130.48 3.512 . . . . 0.0 111.312 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 17.3 t0 . . . . . 0 CA--C 1.534 0.363 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.61 -43.26 91.2 Favored Glycine 0 N--CA 1.447 -0.621 0 N-CA-C 110.277 -1.129 . . . . 0.0 110.277 178.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.32 -24.23 66.29 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 118.012 0.906 . . . . 0.0 112.397 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -85.72 -50.32 7.26 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 107.734 -1.209 . . . . 0.0 107.734 179.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 82.2 mt -55.81 -45.63 78.24 Favored 'General case' 0 N--CA 1.44 -0.938 0 CA-C-O 119.285 -0.388 . . . . 0.0 110.41 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.404 ' N ' HD21 ' A' ' 72' ' ' LEU . 1.3 t80 -63.89 -14.53 54.16 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 114.558 1.318 . . . . 0.0 114.558 -177.393 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -54.79 -38.67 67.57 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 119.839 1.199 . . . . 0.0 109.814 177.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.3 -5.41 10.46 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.07 1.748 . . . . 0.0 113.584 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.6 m -115.17 -38.22 3.9 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 127.14 2.176 . . . . 0.0 110.473 -175.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.1 mp -45.8 -32.74 1.38 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 C-N-CA 125.322 1.449 . . . . 0.0 110.798 178.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -51.08 -41.28 45.72 Favored Glycine 0 CA--C 1.536 1.381 0 CA-C-N 118.561 0.619 . . . . 0.0 112.054 177.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 15.3 t -94.45 -46.79 6.85 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 123.761 0.824 . . . . 0.0 110.062 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 57.9 m-70 -64.52 -17.42 63.88 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.94 1.296 . . . . 0.0 113.932 -177.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.76 115.0 0.02 OUTLIER Glycine 0 CA--C 1.524 0.607 0 N-CA-C 115.812 1.085 . . . . 0.0 115.812 175.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 59.23 -65.68 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 127.801 2.44 . . . . 0.0 113.795 176.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -165.04 63.26 0.12 Allowed 'General case' 0 N--CA 1.435 -1.198 0 N-CA-C 106.115 -1.809 . . . . 0.0 106.115 -178.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.53 26.19 70.68 Favored Glycine 0 C--N 1.339 0.737 0 C-N-CA 124.192 0.901 . . . . 0.0 113.954 -179.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 87.4 p -89.79 -25.33 21.15 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 -177.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -102.41 152.01 21.61 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 122.492 1.139 . . . . 0.0 112.61 -176.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.407 ' HB1' ' HA ' ' A' ' 25' ' ' SER . . . -75.56 89.52 2.73 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 114.307 -1.315 . . . . 0.0 108.532 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -40.52 68.31 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 130.454 3.502 . . . . 0.0 117.616 -177.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.5 mmt 60.41 -66.09 0.05 Allowed 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 127.844 2.458 . . . . 0.0 112.614 177.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.01 -33.13 60.24 Favored Glycine 0 CA--C 1.528 0.884 0 N-CA-C 108.616 -1.794 . . . . 0.0 108.616 176.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.407 ' HA ' ' HB1' ' A' ' 21' ' ' ALA . 36.6 m 112.0 61.5 0.0 OUTLIER 'General case' 0 C--N 1.34 0.174 0 C-N-CA 130.689 3.596 . . . . 0.0 109.323 177.187 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.86 123.59 19.33 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 118.494 -1.282 . . . . 0.0 113.733 -179.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.7 pttp -53.67 119.41 18.33 Favored Pre-proline 0 CA--C 1.539 0.557 0 N-CA-C 103.077 -2.935 . . . . 0.0 103.077 172.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 0.8 OUTLIER -20.51 102.13 0.01 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.694 1 C-N-CA 125.734 4.289 . . . . 0.0 114.847 -175.093 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.4 t -56.8 -34.72 44.13 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 N-CA-C 105.613 -1.995 . . . . 0.0 105.613 178.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.3 tttp -62.31 93.76 0.05 Allowed 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 124.624 1.169 . . . . 0.0 109.612 173.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 127.28 -14.28 6.55 Favored Glycine 0 CA--C 1.522 0.505 0 CA-C-N 113.429 -1.714 . . . . 0.0 111.999 178.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -66.36 148.3 52.06 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 118.818 1.309 . . . . 0.0 107.471 178.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -85.89 144.38 20.26 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 121.432 -0.793 . . . . 0.0 113.766 -176.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -46.63 -46.94 20.11 Favored 'General case' 0 C--O 1.223 -0.294 0 C-N-CA 125.928 1.691 . . . . 0.0 111.836 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -55.62 -52.36 64.04 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 178.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -55.07 -61.83 2.06 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 124.935 1.294 . . . . 0.0 108.765 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.7 mt -51.5 -43.46 62.22 Favored 'General case' 0 N--CA 1.439 -0.987 0 C-N-CA 125.387 1.475 . . . . 0.0 111.635 -179.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -69.23 -46.55 67.07 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 118.602 0.637 . . . . 0.0 110.229 -178.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -63.88 -39.53 94.41 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 120.136 -0.625 . . . . 0.0 109.893 -177.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -74.0 -46.35 44.25 Favored 'General case' 0 N--CA 1.438 -1.044 0 C-N-CA 122.591 0.356 . . . . 0.0 111.24 -177.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -65.8 -38.31 88.63 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 179.503 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -64.25 -43.12 95.86 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 106.775 -1.565 . . . . 0.0 106.775 176.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.68 -41.45 57.34 Favored Glycine 0 CA--C 1.532 1.133 0 N-CA-C 110.16 -1.176 . . . . 0.0 110.16 176.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -75.23 -35.36 61.46 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 118.241 1.02 . . . . 0.0 109.887 176.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.36 -50.1 70.54 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 178.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -77.67 -31.96 52.84 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 177.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.35 -3.9 40.43 Favored Glycine 0 CA--C 1.529 0.918 0 C-N-CA 124.998 1.285 . . . . 0.0 114.826 176.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.9 t -72.37 -32.76 66.72 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 118.764 1.282 . . . . 0.0 111.861 -178.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 41.0 t80 . . . . . 0 C--N 1.343 0.316 0 CA-C-N 120.093 1.315 . . . . 0.0 108.606 179.627 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.531 0.228 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.09 -53.15 58.16 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.49 0.716 . . . . 0.0 111.392 -177.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -60.06 -42.48 94.61 Favored 'General case' 0 N--CA 1.456 -0.131 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 179.293 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 28.8 mmm -56.14 -60.61 3.25 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 178.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 87.6 m -48.15 -47.22 35.04 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.517 1.127 . . . . 0.0 109.656 177.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -61.74 -38.53 88.32 Favored 'General case' 0 CA--C 1.532 0.279 0 O-C-N 121.696 -0.628 . . . . 0.0 111.63 179.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.36 -34.04 65.38 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 118.447 0.567 . . . . 0.0 111.628 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 59.8 t -84.89 -43.2 16.98 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.188 0 C-N-CA 127.045 2.138 . . . . 0.0 116.005 -175.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.91 -30.88 0.44 Allowed 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 115.446 1.647 . . . . 0.0 115.446 -176.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.7 ptpp? -73.99 -17.06 61.04 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 113.348 0.869 . . . . 0.0 113.348 -178.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -80.12 -171.66 3.06 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-O 124.065 1.888 . . . . 0.0 110.675 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 36.1 m -155.93 163.68 39.45 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 128.749 2.819 . . . . 0.0 107.153 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -34.28 -50.93 0.43 Allowed 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.644 1.578 . . . . 0.0 114.668 -177.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -62.42 -50.93 69.56 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 121.068 0.461 . . . . 0.0 110.135 -178.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -58.36 -46.2 86.74 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 179.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 39.7 mt -58.81 -51.57 69.42 Favored 'General case' 0 C--N 1.338 0.099 0 CA-C-N 117.735 0.243 . . . . 0.0 110.439 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -57.62 -44.46 85.52 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 123.299 0.64 . . . . 0.0 109.994 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.82 -46.93 79.91 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 -179.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.472 HD23 ' HA ' ' A' ' 72' ' ' LEU . 13.0 mt -60.3 -50.52 73.31 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-O 119.475 -0.298 . . . . 0.0 110.321 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.23 -40.83 91.6 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -57.62 -52.0 67.22 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 177.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -55.6 -59.34 4.98 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 179.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 62.3 mtm -49.35 -39.81 33.22 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 177.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.3 t -71.51 -15.06 62.29 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 121.005 -1.059 . . . . 0.0 112.728 -179.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -93.77 0.72 56.46 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 118.75 0.705 . . . . 0.0 109.775 177.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 88.8 mt . . . . . 0 C--O 1.25 1.091 0 CA-C-O 117.27 -1.348 . . . . 0.0 109.268 176.955 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 . . . . . 0 CA--C 1.532 0.262 0 N-CA-C 106.826 -1.546 . . . . 0.0 106.826 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 77.8 80.65 0.67 Allowed Glycine 0 N--CA 1.44 -1.097 1 N-CA-C 100.449 -5.06 . . . . 0.0 100.449 -171.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 118.82 -38.46 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 130.451 3.501 . . . . 0.0 107.397 -173.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.22 -22.11 33.22 Favored 'General case' 0 C--N 1.347 0.483 0 C-N-CA 118.634 -1.226 . . . . 0.0 110.168 -176.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.496 ' HB2' HD13 ' A' ' 72' ' ' LEU . 17.7 mt -88.79 -40.02 13.49 Favored 'General case' 0 N--CA 1.431 -1.376 0 N-CA-C 106.001 -1.852 . . . . 0.0 106.001 -179.112 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.405 ' CE1' ' SD ' ' A' ' 76' ' ' MET . 2.0 t80 -64.33 -22.21 66.87 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 -178.496 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.1 tptm -51.81 -33.95 37.97 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 118.598 0.635 . . . . 0.0 110.213 178.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.19 7.84 2.51 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.696 1.598 . . . . 0.0 113.223 178.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.2 m -128.79 -37.29 1.76 Allowed 'General case' 0 C--O 1.235 0.322 0 C-N-CA 127.144 2.178 . . . . 0.0 109.997 -173.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 21.2 mm -40.97 -35.95 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 C-N-CA 126.36 1.864 . . . . 0.0 110.51 176.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -47.99 -44.06 25.01 Favored Glycine 0 CA--C 1.537 1.431 0 CA-C-O 119.679 -0.512 . . . . 0.0 112.853 178.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.1 m -92.96 -44.99 8.16 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 118.033 0.916 . . . . 0.0 110.459 179.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 41.0 m-70 -71.58 -14.24 62.02 Favored 'General case' 0 N--CA 1.434 -1.227 0 C-N-CA 126.828 2.051 . . . . 0.0 115.579 -175.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 83.65 160.69 30.59 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 110.359 -1.097 . . . . 0.0 110.359 -179.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -42.72 -18.85 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 128.018 2.527 . . . . 0.0 116.357 -177.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -153.28 40.37 0.53 Allowed 'General case' 0 N--CA 1.439 -0.985 0 CA-C-N 119.453 1.024 . . . . 0.0 109.862 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 53.52 29.32 39.21 Favored Glycine 0 C--N 1.341 0.852 0 CA-C-N 117.809 0.277 . . . . 0.0 112.95 179.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.2 p -90.8 -34.28 15.37 Favored 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 127.444 2.298 . . . . 0.0 111.865 -177.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -73.72 124.87 26.85 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 -179.301 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.16 85.2 0.37 Allowed 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 105.99 -1.855 . . . . 0.0 105.99 176.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -41.37 131.91 2.76 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 125.453 1.501 . . . . 0.0 114.202 -176.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.5 mmt 22.01 -78.9 0.0 OUTLIER 'General case' 0 C--N 1.342 0.262 0 C-N-CA 131.167 3.787 . . . . 0.0 115.39 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -52.13 -33.48 37.8 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 123.284 0.468 . . . . 0.0 112.141 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 67.6 m 119.13 59.95 0.0 OUTLIER 'General case' 0 N--CA 1.458 -0.071 1 C-N-CA 131.898 4.079 . . . . 0.0 106.655 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.12 142.49 36.53 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 114.235 1.198 . . . . 0.0 114.235 -178.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.4 mtmm -62.96 119.63 53.58 Favored Pre-proline 0 N--CA 1.45 -0.462 0 N-CA-C 102.614 -3.106 . . . . 0.0 102.614 174.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_exo -33.58 106.62 0.04 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 124.1 3.2 . . . . 0.0 113.137 -177.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.7 t -55.03 -35.14 33.69 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.2 tptt -40.23 92.52 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 127.721 2.408 . . . . 0.0 113.608 174.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 73.64 39.47 48.86 Favored Glycine 0 N--CA 1.447 -0.633 0 CA-C-N 112.606 -2.088 . . . . 0.0 111.41 177.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -57.73 -45.94 85.11 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 139.01 126.07 2.35 Favored Glycine 0 C--O 1.215 -1.091 0 C-N-CA 127.96 2.695 . . . . 0.0 108.459 175.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -50.31 -44.22 54.06 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 122.117 2.959 . . . . 0.0 112.181 -178.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -59.57 -53.23 60.48 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 122.507 1.146 . . . . 0.0 108.675 178.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -50.36 -63.8 1.01 Allowed 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 112.762 -2.017 . . . . 0.0 109.261 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.6 mt -50.93 -45.44 60.53 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 127.28 2.232 . . . . 0.0 110.469 178.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -63.9 -49.77 71.35 Favored 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 121.871 -0.518 . . . . 0.0 110.757 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.2 ttpm? -57.47 -42.12 81.98 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.6 mttm -62.48 -52.35 63.86 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 123.967 0.907 . . . . 0.0 110.11 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 67.9 mtm -64.36 -36.46 84.2 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 118.187 -0.911 . . . . 0.0 111.258 179.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.9 tptm -59.88 -46.25 89.92 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 106.074 -1.824 . . . . 0.0 106.074 177.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -53.81 -56.69 19.29 Favored Glycine 0 CA--C 1.528 0.85 0 N-CA-C 110.796 -0.922 . . . . 0.0 110.796 177.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -66.01 -41.98 90.29 Favored 'General case' 0 C--N 1.341 0.199 0 CA-C-N 118.786 1.293 . . . . 0.0 111.477 -179.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.73 -46.63 64.07 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.568 1.147 . . . . 0.0 108.532 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -88.3 6.98 34.45 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.272 1.029 . . . . 0.0 112.469 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 56.03 31.16 58.49 Favored Glycine 0 CA--C 1.532 1.099 0 C-N-CA 124.481 1.039 . . . . 0.0 112.977 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.8 t -118.17 38.95 3.54 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 125.784 1.634 . . . . 0.0 111.504 -178.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 23.4 t80 . . . . . 0 C--O 1.232 0.18 0 N-CA-C 107.27 -1.381 . . . . 0.0 107.27 179.396 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.225 -0.204 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.39 -55.93 13.45 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 118.735 0.698 . . . . 0.0 109.525 -179.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 35.4 mtt -55.85 -48.37 75.62 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 178.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.7 mmm -56.33 -52.8 63.21 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.496 179.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 32.1 m -53.81 -52.9 58.84 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 179.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -55.28 -42.51 73.67 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 117.862 0.301 . . . . 0.0 110.543 178.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.65 -43.18 97.5 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 118.437 -0.792 . . . . 0.0 112.902 -178.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.6 m -90.55 -34.93 6.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-N 120.252 1.387 . . . . 0.0 112.316 -176.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -55.96 -24.95 41.52 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -175.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -70.39 -16.01 62.91 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 118.744 0.702 . . . . 0.0 111.355 178.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -91.83 -176.57 4.48 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-O 122.65 1.214 . . . . 0.0 110.241 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 32.5 m -127.08 161.0 29.46 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 127.683 2.393 . . . . 0.0 109.696 -179.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -39.83 -50.34 2.41 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.402 1.481 . . . . 0.0 113.826 -179.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -59.2 -47.5 85.09 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-O 121.269 0.557 . . . . 0.0 110.369 -178.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -63.62 -43.94 95.37 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 72.6 mt -57.84 -49.05 77.96 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 178.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.3 ttpp -55.39 -50.51 69.56 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 178.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.56 -45.21 73.45 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.023 0.529 . . . . 0.0 109.706 178.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.496 HD13 ' HB2' ' A' ' 6' ' ' LEU . 1.6 tp -60.16 -51.43 69.64 Favored 'General case' 0 N--CA 1.449 -0.52 0 O-C-N 121.999 -0.438 . . . . 0.0 111.21 179.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.95 -40.23 97.04 Favored 'General case' 0 CA--C 1.516 -0.332 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 -178.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -55.44 -51.28 67.42 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 107.319 -1.363 . . . . 0.0 107.319 177.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -57.9 -59.42 5.28 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 110.436 -0.209 . . . . 0.0 110.436 179.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.405 ' SD ' ' CE1' ' A' ' 7' ' ' TYR . 66.9 mtm -49.99 -40.84 45.54 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 179.029 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.1 t -71.84 -14.83 62.07 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 121.146 -0.971 . . . . 0.0 112.161 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -104.57 10.55 34.95 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.743 1.217 . . . . 0.0 110.451 179.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 75.2 mt . . . . . 0 C--O 1.251 1.137 0 CA-C-O 117.21 -1.376 . . . . 0.0 109.533 177.053 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 57.9 t0 . . . . . 0 CA--C 1.528 0.112 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.83 -34.36 77.49 Favored Glycine 0 N--CA 1.445 -0.755 0 CA-C-O 119.323 -0.71 . . . . 0.0 111.575 177.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.16 -27.48 65.7 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 118.631 1.215 . . . . 0.0 110.231 177.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.07 -32.03 16.89 Favored 'General case' 0 N--CA 1.443 -0.8 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 178.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.422 ' C ' HD21 ' A' ' 72' ' ' LEU . 36.1 mt -73.57 -31.92 63.87 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 118.377 -1.329 . . . . 0.0 110.515 -177.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.478 ' HD1' HD22 ' A' ' 72' ' ' LEU . 0.9 OUTLIER -76.61 -7.64 55.65 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 -178.19 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -52.36 -41.42 63.05 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 119.576 1.08 . . . . 0.0 112.789 -179.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 p -69.77 -8.3 46.91 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.857 1.263 . . . . 0.0 113.103 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.3 m -106.59 -38.86 6.02 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 126.863 2.065 . . . . 0.0 110.011 -175.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.1 mp -44.1 -37.48 1.28 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 C-N-CA 125.638 1.575 . . . . 0.0 110.447 177.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -48.99 -43.3 31.3 Favored Glycine 0 CA--C 1.533 1.19 0 C-N-CA 123.641 0.639 . . . . 0.0 112.61 178.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.9 m -93.85 -43.13 8.74 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 117.718 0.759 . . . . 0.0 110.604 179.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.586 ' HB3' ' HA2' ' A' ' 18' ' ' GLY . 91.5 m-70 -71.38 -18.37 62.36 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 -175.413 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.73 115.95 0.52 Allowed Glycine 0 CA--C 1.532 1.097 0 N-CA-C 116.815 1.486 . . . . 0.0 116.815 174.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 61.76 -70.37 0.05 OUTLIER 'General case' 0 C--N 1.343 0.296 0 C-N-CA 128.306 2.642 . . . . 0.0 112.01 177.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -130.84 -25.8 2.27 Favored 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 127.879 2.472 . . . . 0.0 110.895 179.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.586 ' HA2' ' HB3' ' A' ' 14' ' ' HIS . . . 139.86 34.6 0.14 Allowed Glycine 0 CA--C 1.526 0.765 0 C-N-CA 127.088 2.28 . . . . 0.0 112.113 177.303 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.5 m -84.18 -22.82 30.81 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 124.924 1.289 . . . . 0.0 114.097 -177.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -94.16 153.35 18.14 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 122.749 1.261 . . . . 0.0 113.039 -176.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.86 84.35 2.8 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 106.441 -1.688 . . . . 0.0 106.441 177.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -39.61 133.28 1.49 Allowed 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 114.92 1.452 . . . . 0.0 114.92 -176.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 26.0 mmt 19.5 -77.67 0.0 OUTLIER 'General case' 0 C--N 1.342 0.252 0 C-N-CA 131.419 3.888 . . . . 0.0 115.64 178.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -50.61 -40.21 39.64 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 65.2 m 126.9 59.48 0.0 OUTLIER 'General case' 0 CA--C 1.528 0.11 1 C-N-CA 131.919 4.088 . . . . 0.0 106.783 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.35 153.97 14.5 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 -178.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -66.9 122.49 82.66 Favored Pre-proline 0 N--CA 1.446 -0.653 0 N-CA-C 100.854 -3.758 . . . . 0.0 100.854 172.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -41.19 110.77 0.14 Allowed 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.365 2.71 . . . . 0.0 110.72 -175.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.3 t -54.02 -46.39 65.63 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 -177.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 51.2 tttp -44.67 104.41 0.04 OUTLIER 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 122.812 1.291 . . . . 0.0 113.944 175.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 83.03 26.2 45.74 Favored Glycine 0 N--CA 1.442 -0.903 0 CA-C-N 112.901 -1.954 . . . . 0.0 112.476 175.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -64.26 -38.26 90.43 Favored 'General case' 0 N--CA 1.426 -1.627 0 CA-C-N 118.959 1.38 . . . . 0.0 107.325 178.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 121.5 125.69 3.19 Favored Glycine 0 C--O 1.216 -0.973 0 C-N-CA 127.842 2.639 . . . . 0.0 109.731 176.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.22 -48.29 9.34 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 120.919 2.359 . . . . 0.0 112.959 -177.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -60.67 -42.64 97.45 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 121.388 0.613 . . . . 0.0 110.054 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.4 -62.84 1.57 Allowed 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 126.312 1.845 . . . . 0.0 108.214 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 23.7 mt -49.29 -45.15 44.75 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 127.53 2.332 . . . . 0.0 109.679 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -65.04 -52.07 57.95 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 119.017 -0.516 . . . . 0.0 110.507 178.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.66 -39.23 76.6 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 118.455 0.571 . . . . 0.0 109.63 -179.707 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 36.9 mmtm -64.54 -51.38 63.18 Favored 'General case' 0 N--CA 1.441 -0.906 0 C-N-CA 124.163 0.985 . . . . 0.0 109.783 -179.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.4 mtm -60.81 -44.09 97.35 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-O 118.854 -0.593 . . . . 0.0 109.865 178.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 45.4 tptt -56.32 -47.74 78.11 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 107.039 -1.467 . . . . 0.0 107.039 178.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.18 -50.58 45.52 Favored Glycine 0 CA--C 1.529 0.934 0 N-CA-C 110.724 -0.95 . . . . 0.0 110.724 177.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -68.61 -39.18 80.95 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 118.804 1.302 . . . . 0.0 110.83 178.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.29 -52.13 64.45 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.065 1.346 . . . . 0.0 109.617 -178.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.8 p30 -84.63 -20.11 31.88 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.555 0.742 . . . . 0.0 111.863 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.7 19.18 52.8 Favored Glycine 0 CA--C 1.531 1.056 0 C-N-CA 124.79 1.186 . . . . 0.0 113.633 178.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.4 t -100.71 37.33 1.73 Allowed 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 118.636 1.218 . . . . 0.0 110.701 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 36.0 t80 . . . . . 0 N--CA 1.456 -0.161 0 C-N-CA 125.052 1.341 . . . . 0.0 107.49 -179.957 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.209 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.28 -53.35 56.44 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.165 0.586 . . . . 0.0 110.467 -178.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.09 -46.14 82.79 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 179.48 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 17.2 mmm -55.14 -58.57 7.12 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.366 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 90.8 m -50.12 -46.88 54.12 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.099 0.959 . . . . 0.0 109.257 177.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -57.81 -38.48 75.62 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.071 0.548 . . . . 0.0 110.844 178.182 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.56 -32.88 58.44 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.444 0.698 . . . . 0.0 111.683 -179.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 42.8 t -86.41 -35.75 9.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 125.991 1.717 . . . . 0.0 115.382 -176.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.1 ptmm? -52.0 -29.4 20.71 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 119.917 1.235 . . . . 0.0 113.438 -177.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 34.7 pttt -74.34 -8.19 55.41 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -112.11 141.04 46.27 Favored 'General case' 0 N--CA 1.439 -0.975 0 C-N-CA 125.441 1.497 . . . . 0.0 107.576 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 88.5 p -104.67 164.27 11.89 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 127.74 2.416 . . . . 0.0 109.449 -178.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -33.79 -50.35 0.36 Allowed 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 125.611 1.565 . . . . 0.0 114.877 -177.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.8 tp10 -66.47 -44.36 82.95 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 120.857 0.361 . . . . 0.0 110.938 -178.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -63.52 -43.78 96.19 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 74.8 mt -59.56 -48.88 79.95 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.77 0.828 . . . . 0.0 109.546 177.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -57.62 -47.75 81.33 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.169 0.587 . . . . 0.0 109.7 178.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.15 -44.27 97.58 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.478 HD22 ' HD1' ' A' ' 7' ' ' TYR . 15.1 mt -60.7 -49.1 78.88 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-O 119.049 -0.5 . . . . 0.0 110.736 179.214 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.82 -42.58 89.55 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 -178.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -55.39 -50.79 68.82 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 177.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -58.58 -56.84 16.91 Favored 'General case' 0 C--N 1.342 0.245 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.581 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 60.2 mtm -49.59 -42.62 44.98 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 118.432 0.56 . . . . 0.0 112.156 178.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.3 t -65.83 -6.97 13.69 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 117.994 -1.003 . . . . 0.0 113.073 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -107.55 5.93 27.51 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.979 1.312 . . . . 0.0 111.092 179.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.111 0 CA-C-O 117.255 -1.355 . . . . 0.0 109.39 176.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.8 t70 . . . . . 0 CA--C 1.53 0.211 0 CA-C-O 120.514 0.197 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.64 -60.57 8.67 Favored Glycine 0 N--CA 1.447 -0.579 0 N-CA-C 109.994 -1.242 . . . . 0.0 109.994 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -49.36 -45.64 46.08 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 117.52 0.66 . . . . 0.0 110.804 -179.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.02 -37.79 77.73 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 112.408 0.521 . . . . 0.0 112.408 -179.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 58.8 mt -74.81 -45.35 44.08 Favored 'General case' 0 N--CA 1.438 -1.051 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 178.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -57.29 -22.31 40.85 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 -176.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.1 mtmm -53.64 -34.87 60.05 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 121.232 -0.918 . . . . 0.0 110.657 178.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.32 -4.68 15.22 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.984 1.313 . . . . 0.0 113.565 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.1 m -111.34 -38.36 5.01 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 127.112 2.165 . . . . 0.0 110.649 -175.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.2 mp -45.7 -32.37 1.27 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 C-N-CA 125.505 1.522 . . . . 0.0 110.827 178.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -50.82 -43.7 48.18 Favored Glycine 0 CA--C 1.537 1.418 0 CA-C-N 118.343 0.519 . . . . 0.0 112.123 177.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.1 m -95.35 -44.1 7.72 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 117.809 0.804 . . . . 0.0 110.105 179.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.454 ' CE1' HG21 ' A' ' 29' ' ' VAL . 87.2 m-70 -65.96 -20.37 66.18 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.741 0.816 . . . . 0.0 113.169 -176.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 73.09 102.57 0.07 OUTLIER Glycine 0 CA--C 1.526 0.772 0 N-CA-C 115.806 1.082 . . . . 0.0 115.806 174.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 66.13 -48.72 0.42 Allowed 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 128.512 2.725 . . . . 0.0 114.491 176.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -146.56 -65.1 0.29 Allowed 'General case' 0 N--CA 1.435 -1.214 0 C-N-CA 127.602 2.361 . . . . 0.0 106.697 -178.434 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -179.93 32.78 0.06 OUTLIER Glycine 0 CA--C 1.52 0.346 0 N-CA-C 108.334 -1.906 . . . . 0.0 108.334 177.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 86.5 p -78.67 -32.81 47.32 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 124.694 1.197 . . . . 0.0 111.586 -177.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -90.61 135.76 33.5 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-O 121.456 0.646 . . . . 0.0 109.867 -178.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.84 83.38 0.92 Allowed 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 105.392 -2.077 . . . . 0.0 105.392 177.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -33.82 128.82 0.34 Allowed 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 125.786 1.634 . . . . 0.0 114.478 -175.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 96.1 mmm 20.09 -77.6 0.0 OUTLIER 'General case' 0 C--N 1.343 0.317 0 C-N-CA 130.36 3.464 . . . . 0.0 113.193 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.53 44.37 1.7 Allowed Glycine 0 CA--C 1.534 1.246 0 CA-C-N 118.533 0.606 . . . . 0.0 111.956 178.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.7 p 48.22 53.54 11.63 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 126.503 1.921 . . . . 0.0 111.516 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.29 149.22 29.39 Favored 'General case' 0 N--CA 1.448 -0.564 0 N-CA-C 114.177 1.176 . . . . 0.0 114.177 -179.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.0 mtmm -61.59 122.97 74.7 Favored Pre-proline 0 CA--C 1.535 0.38 0 N-CA-C 102.936 -2.987 . . . . 0.0 102.936 173.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_exo -37.12 109.15 0.06 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.519 0 C-N-CA 123.54 2.827 . . . . 0.0 112.327 -178.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.454 HG21 ' CE1' ' A' ' 14' ' ' HIS . 76.9 t -58.84 -34.06 51.24 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -178.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.2 tmtm? -66.21 89.23 0.13 Allowed 'General case' 0 CA--C 1.515 -0.399 0 CA-C-O 122.574 1.178 . . . . 0.0 108.082 174.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 134.69 -11.56 4.57 Favored Glycine 0 CA--C 1.523 0.572 0 CA-C-N 112.647 -2.069 . . . . 0.0 113.178 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -67.85 147.52 52.42 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 119.598 1.699 . . . . 0.0 106.82 178.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.93 144.9 17.32 Favored Glycine 0 N--CA 1.475 1.296 0 CA-C-O 118.54 -1.145 . . . . 0.0 114.124 -175.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.19 -48.3 9.25 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 119.837 1.819 . . . . 0.0 113.364 -177.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -59.82 -44.41 94.04 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -59.95 -64.68 0.86 Allowed 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 179.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 53.6 mt -44.34 -48.28 9.66 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 127.107 2.163 . . . . 0.0 110.603 -179.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -69.54 -49.75 51.41 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 119.054 -0.498 . . . . 0.0 111.99 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -60.27 -40.32 89.95 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 118.793 0.724 . . . . 0.0 109.7 -179.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 41.0 mmtm -66.02 -51.4 58.65 Favored 'General case' 0 N--CA 1.437 -1.085 0 C-N-CA 124.962 1.305 . . . . 0.0 109.506 -179.043 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 53.9 mtm -63.7 -38.65 91.91 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-O 117.726 -1.13 . . . . 0.0 110.061 178.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -60.5 -44.82 95.57 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 121.156 1.798 . . . . 0.0 106.889 177.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -51.71 -48.64 49.76 Favored Glycine 0 CA--C 1.532 1.115 0 N-CA-C 110.423 -1.071 . . . . 0.0 110.423 176.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -71.26 -37.44 71.93 Favored 'General case' 0 CA--C 1.534 0.329 0 O-C-N 121.116 -1.226 . . . . 0.0 110.841 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.19 -60.38 3.47 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 126.472 1.909 . . . . 0.0 110.543 -177.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -144.05 25.2 1.6 Allowed 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 -176.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -131.32 18.76 4.93 Favored Glycine 0 CA--C 1.526 0.729 0 CA-C-N 119.177 0.898 . . . . 0.0 112.881 -178.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.0 t 39.2 42.59 0.77 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 127.503 2.321 . . . . 0.0 112.098 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 29.0 t80 . . . . . 0 CA--C 1.532 0.284 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 176.863 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt . . . . . 0 N--CA 1.439 -0.99 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.49 -44.98 95.07 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.516 0.727 . . . . 0.0 111.363 -178.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -63.11 -44.24 96.19 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 38.1 mmm -60.13 -60.45 3.8 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.771 179.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 19.6 m -51.8 -41.05 61.41 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-N 119.249 0.931 . . . . 0.0 110.322 177.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -58.84 -48.8 80.06 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 119.876 1.216 . . . . 0.0 110.257 178.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.18 -40.87 90.78 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -179.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 71.5 t -79.55 -41.23 22.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 125.85 1.66 . . . . 0.0 114.713 -175.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -56.1 -30.72 62.46 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 119.453 1.024 . . . . 0.0 111.572 -177.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.9 ptmm? -80.5 9.96 5.31 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 118.962 -0.542 . . . . 0.0 112.157 178.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -121.01 141.02 51.12 Favored 'General case' 0 N--CA 1.441 -0.899 0 C-N-CA 125.394 1.478 . . . . 0.0 107.121 177.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 53.9 p -93.14 168.29 11.21 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 127.654 2.381 . . . . 0.0 109.534 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -47.81 -41.52 23.86 Favored 'General case' 0 C--O 1.224 -0.282 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -61.83 -54.57 40.35 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 118.403 0.547 . . . . 0.0 109.713 179.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -55.47 -51.04 68.27 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.997 0.919 . . . . 0.0 109.793 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 70.6 mt -58.99 -48.25 82.23 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.454 1.102 . . . . 0.0 110.709 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 29.2 tptp -62.34 -40.36 96.12 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.91 -47.87 78.87 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 72' ' ' LEU . 14.9 mt -58.31 -52.16 66.78 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-O 119.268 -0.396 . . . . 0.0 110.787 179.041 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.51 -42.45 98.82 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 119.198 -0.43 . . . . 0.0 110.205 -178.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -53.56 -48.88 68.74 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 177.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -62.06 -59.23 5.38 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 178.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 68.2 mtm -49.96 -30.98 11.47 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.631 0.974 . . . . 0.0 113.631 178.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.8 t -68.86 -22.48 64.21 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 120.617 -1.302 . . . . 0.0 112.379 -179.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.5 ptpp? -112.46 29.09 8.21 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.242 1.017 . . . . 0.0 109.493 178.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 21.1 tp . . . . . 0 C--O 1.251 1.169 0 C-N-CA 126.246 1.818 . . . . 0.0 111.379 -179.425 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 . . . . . 0 N--CA 1.445 -0.679 0 N-CA-C 105.752 -1.944 . . . . 0.0 105.752 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 81.89 83.97 0.8 Allowed Glycine 0 N--CA 1.438 -1.229 1 N-CA-C 100.687 -4.965 . . . . 0.0 100.687 -174.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 119.29 -26.7 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 130.619 3.568 . . . . 0.0 107.901 -173.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.44 -34.41 17.51 Favored 'General case' 0 C--N 1.348 0.512 0 C-N-CA 118.937 -1.105 . . . . 0.0 109.603 -177.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.531 ' C ' HD21 ' A' ' 72' ' ' LEU . 5.2 mp -75.56 -28.03 58.84 Favored 'General case' 0 N--CA 1.44 -0.97 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.313 -177.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.482 ' N ' HD21 ' A' ' 72' ' ' LEU . 1.7 t80 -78.07 -11.36 59.91 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 -178.183 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -49.36 -48.93 46.37 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 119.365 0.984 . . . . 0.0 112.6 -178.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.5 m -74.96 19.24 0.15 Allowed 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 114.212 1.19 . . . . 0.0 114.212 -177.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.5 m -120.66 -35.14 3.44 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 126.418 1.887 . . . . 0.0 108.594 -177.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.9 mm -48.37 -34.17 4.98 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 C-N-CA 126.069 1.748 . . . . 0.0 109.378 176.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -50.35 -42.2 41.67 Favored Glycine 0 CA--C 1.534 1.249 0 C-N-CA 123.581 0.61 . . . . 0.0 112.597 178.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.9 m -98.22 -43.07 7.13 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 118.119 0.96 . . . . 0.0 110.908 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -80.83 -11.05 59.66 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 114.912 1.449 . . . . 0.0 114.912 -175.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.1 163.4 32.29 Favored Glycine 0 CA--C 1.528 0.878 0 CA-C-N 119.181 0.9 . . . . 0.0 111.299 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -41.55 -62.7 0.83 Allowed 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 125.37 1.468 . . . . 0.0 112.138 -178.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -88.89 27.14 1.39 Allowed 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 125.48 1.512 . . . . 0.0 111.499 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 44.35 28.08 1.36 Allowed Glycine 0 CA--C 1.534 1.263 0 C-N-CA 125.404 1.478 . . . . 0.0 115.056 179.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.6 p -95.91 -20.59 18.65 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 126.163 1.785 . . . . 0.0 112.867 -176.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 49.2 tttm -68.38 125.83 27.7 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.68 80.7 1.11 Allowed 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 106.886 -1.524 . . . . 0.0 106.886 178.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -33.39 126.85 0.36 Allowed 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 126.938 2.095 . . . . 0.0 114.699 -177.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 20.6 mmt 27.47 -83.35 0.0 OUTLIER 'General case' 0 C--N 1.342 0.239 0 C-N-CA 130.249 3.42 . . . . 0.0 113.299 179.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.23 43.79 1.81 Allowed Glycine 0 CA--C 1.531 1.054 0 CA-C-N 118.779 0.718 . . . . 0.0 111.873 179.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 33.1 m 52.04 56.03 8.37 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 125.442 1.497 . . . . 0.0 111.187 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.74 141.34 44.49 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.7 mtmm -57.84 112.67 5.09 Favored Pre-proline 0 CA--C 1.54 0.566 0 N-CA-C 104.858 -2.275 . . . . 0.0 104.858 173.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -37.0 111.95 0.09 OUTLIER 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 124.092 3.195 . . . . 0.0 112.277 -176.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.4 m -68.29 -23.79 28.94 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 -178.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.506 ' HA ' HD23 ' A' ' 79' ' ' LEU . 46.0 tptt -49.59 105.74 0.09 Allowed 'General case' 0 CA--C 1.517 -0.321 0 CA-C-O 122.481 1.134 . . . . 0.0 112.669 175.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 89.18 10.66 65.84 Favored Glycine 0 N--CA 1.445 -0.749 0 CA-C-N 113.22 -1.809 . . . . 0.0 112.209 176.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.423 ' HB2' HD21 ' A' ' 37' ' ' LEU . 54.7 mt-30 -64.45 148.59 50.23 Favored 'General case' 0 CA--C 1.551 1.019 0 N-CA-C 104.74 -2.319 . . . . 0.0 104.74 177.051 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.42 138.46 36.2 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 120.056 -1.653 . . . . 0.0 112.599 -176.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.94 -45.4 41.71 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 120.298 2.049 . . . . 0.0 111.445 179.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -62.29 -43.08 99.64 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 178.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -59.46 -59.26 5.73 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.997 1.319 . . . . 0.0 108.032 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.423 HD21 ' HB2' ' A' ' 32' ' ' GLN . 62.0 mt -49.56 -48.42 48.57 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 127.3 2.24 . . . . 0.0 110.064 178.524 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -61.12 -54.58 42.73 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 122.773 0.429 . . . . 0.0 110.597 179.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -57.59 -38.15 74.41 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 121.014 0.435 . . . . 0.0 110.055 -179.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -68.08 -54.94 14.54 Favored 'General case' 0 N--CA 1.44 -0.956 0 C-N-CA 123.723 0.809 . . . . 0.0 110.688 -178.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 76.3 mtm -62.88 -33.85 76.17 Favored 'General case' 0 C--O 1.218 -0.562 0 CA-C-O 118.289 -0.862 . . . . 0.0 109.394 178.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 44.8 tttp -61.09 -50.76 71.94 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 106.895 -1.52 . . . . 0.0 106.895 176.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.72 -44.92 60.75 Favored Glycine 0 CA--C 1.531 1.082 0 C-N-CA 124.016 0.817 . . . . 0.0 111.452 178.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -70.86 -47.6 58.38 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 118.359 1.08 . . . . 0.0 109.34 178.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.21 -52.5 15.7 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 126.393 1.877 . . . . 0.0 110.202 -179.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.4 p30 -89.56 3.66 51.8 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.805 0.842 . . . . 0.0 112.728 -179.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 65.12 16.76 62.64 Favored Glycine 0 CA--C 1.532 1.144 0 C-N-CA 124.069 0.843 . . . . 0.0 114.643 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 12.6 t -79.83 -25.22 40.88 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 119.183 1.491 . . . . 0.0 109.938 179.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 8.0 t80 . . . . . 0 C--N 1.341 0.212 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 179.27 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.4 mttm . . . . . 0 N--CA 1.439 -1.007 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.48 -40.47 66.9 Favored 'General case' 0 C--N 1.339 0.133 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 177.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 21.0 mmt -60.1 -44.9 94.5 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 106.933 -1.506 . . . . 0.0 106.933 177.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 31.3 mmm -56.72 -57.29 13.05 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.637 177.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 87.2 m -46.91 -47.95 21.43 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.719 0.808 . . . . 0.0 109.228 177.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.84 -42.84 99.54 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 118.338 0.517 . . . . 0.0 110.832 179.104 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.1 -36.83 85.54 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.371 0.668 . . . . 0.0 111.498 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 54.7 t -84.35 -31.1 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 C-N-CA 127.162 2.185 . . . . 0.0 114.46 -176.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.4 tptt -51.13 -32.47 22.99 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 119.595 1.089 . . . . 0.0 113.928 -176.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.6 ptpp? -69.94 -14.75 62.86 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -102.11 -176.49 3.13 Favored 'General case' 0 N--CA 1.441 -0.897 0 C-N-CA 125.673 1.589 . . . . 0.0 108.761 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 28.8 t -161.62 172.12 16.84 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 128.617 2.767 . . . . 0.0 105.708 -179.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -36.04 -44.98 0.4 Allowed 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 126.995 2.118 . . . . 0.0 115.031 -176.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -68.32 -44.37 75.54 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 121.765 0.793 . . . . 0.0 111.512 -178.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.6 mp0 -69.71 -41.49 75.3 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 -178.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.4 mp -54.73 -49.81 69.88 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 126.528 1.931 . . . . 0.0 109.44 175.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -58.94 -49.25 78.55 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 178.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.91 -45.32 90.58 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.531 HD21 ' C ' ' A' ' 6' ' ' LEU . 17.8 mt -61.57 -55.38 31.42 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-O 119.239 -0.41 . . . . 0.0 111.931 -179.692 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.93 -43.21 91.13 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-O 118.717 -0.659 . . . . 0.0 109.551 -178.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -53.25 -49.02 67.72 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 178.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -64.92 -70.67 0.22 Allowed 'General case' 0 N--CA 1.45 -0.468 0 O-C-N 123.078 0.236 . . . . 0.0 111.235 178.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.415 ' HA ' HD22 ' A' ' 79' ' ' LEU . 7.5 ttp -46.34 -36.03 5.97 Favored 'General case' 0 C--O 1.224 -0.255 0 C-N-CA 125.517 1.527 . . . . 0.0 113.069 -177.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.1 t -56.99 -37.76 72.09 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.122 -0.987 . . . . 0.0 109.436 178.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -80.74 -46.9 14.74 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 106.503 -1.666 . . . . 0.0 106.503 175.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.506 HD23 ' HA ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.168 0 C-N-CA 130.1 3.36 . . . . 0.0 108.871 -178.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 C--O 1.223 -0.319 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -38.87 -47.38 2.41 Favored Glycine 0 C--N 1.34 0.762 0 C-N-CA 126.331 1.919 . . . . 0.0 112.908 -178.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.63 -28.16 20.19 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 -179.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -87.41 -27.52 22.7 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 119.607 1.094 . . . . 0.0 109.592 -179.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.5 mp -75.46 -45.96 35.47 Favored 'General case' 0 N--CA 1.437 -1.115 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.411 ' N ' HD21 ' A' ' 72' ' ' LEU . 1.8 t80 -60.23 -15.2 22.41 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.586 0.958 . . . . 0.0 113.586 -177.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.1 mmtp -53.52 -38.26 63.57 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 121.225 -0.922 . . . . 0.0 110.747 177.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.6 p -67.32 -13.1 61.69 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.3 m -104.55 -38.76 6.64 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 126.995 2.118 . . . . 0.0 110.758 -174.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -44.72 -31.74 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 C-N-CA 125.966 1.706 . . . . 0.0 111.898 179.456 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -58.69 -44.49 95.68 Favored Glycine 0 CA--C 1.535 1.3 0 CA-C-N 118.375 0.534 . . . . 0.0 111.897 177.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.8 t -86.07 -39.14 17.08 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 117.958 0.879 . . . . 0.0 110.407 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.545 ' CE1' HG21 ' A' ' 29' ' ' VAL . 85.1 m-70 -74.64 -22.58 58.83 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 113.95 1.093 . . . . 0.0 113.95 -177.559 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.04 78.68 0.67 Allowed Glycine 0 N--CA 1.451 -0.359 0 O-C-N 121.404 -0.81 . . . . 0.0 113.114 178.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 45.99 -92.83 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.732 1.613 . . . . 0.0 112.381 176.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.5 p-10 -83.14 47.71 1.27 Allowed 'General case' 0 N--CA 1.434 -1.242 0 C-N-CA 127.202 2.201 . . . . 0.0 110.194 -179.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 32.05 40.11 0.07 OUTLIER Glycine 0 CA--C 1.523 0.544 0 C-N-CA 127.937 2.684 . . . . 0.0 115.271 178.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 62.1 m -97.63 -24.25 15.61 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.6 0.76 . . . . 0.0 112.719 -177.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -76.08 128.17 34.45 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 107.401 -1.333 . . . . 0.0 107.401 178.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.46 85.19 0.6 Allowed 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 106.329 -1.73 . . . . 0.0 106.329 178.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -41.76 132.36 2.99 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 126.479 1.912 . . . . 0.0 114.713 -176.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 49.9 tpp 27.83 -65.45 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.408 1 C-N-CA 132.519 4.328 . . . . 0.0 116.965 178.628 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.74 -29.86 69.01 Favored Glycine 0 CA--C 1.521 0.466 0 O-C-N 121.364 -0.835 . . . . 0.0 112.328 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 71.0 m 117.14 56.83 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 131.007 3.723 . . . . 0.0 103.503 -176.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.48 137.91 41.58 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 -176.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.465 ' CD ' ' H ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -58.98 113.62 7.23 Favored Pre-proline 0 N--CA 1.445 -0.683 0 N-CA-C 102.089 -3.3 . . . . 0.0 102.089 173.611 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_exo -26.52 107.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 125.042 3.828 . . . . 0.0 112.921 -176.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.545 HG21 ' CE1' ' A' ' 14' ' ' HIS . 90.4 t -61.12 -33.85 57.81 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 N-CA-C 106.351 -1.722 . . . . 0.0 106.351 -179.149 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -60.45 106.45 0.54 Allowed 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 121.989 0.9 . . . . 0.0 109.735 175.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 114.55 -10.25 21.75 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 113.472 -1.694 . . . . 0.0 111.671 177.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -63.71 144.24 57.19 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 105.954 -1.869 . . . . 0.0 105.954 177.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -42.84 -97.88 0.01 OUTLIER Glycine 0 CA--C 1.539 1.588 0 N-CA-C 118.711 2.244 . . . . 0.0 118.711 -173.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.425 ' HA ' HD12 ' A' ' 37' ' ' LEU . . . 178.86 -59.51 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 128.894 2.878 . . . . 0.0 104.337 179.383 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -57.65 -42.53 83.64 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 106.283 -1.747 . . . . 0.0 106.283 175.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 66.9 tt0 -55.68 -68.05 0.23 Allowed 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 176.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.425 HD12 ' HA ' ' A' ' 34' ' ' ALA . 4.5 mt -46.02 -42.76 13.67 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 124.026 0.93 . . . . 0.0 112.257 -179.063 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -70.91 -45.16 64.75 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 123.601 0.76 . . . . 0.0 111.537 -178.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -64.82 -39.13 93.08 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 -179.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.8 mmmm -67.6 -48.31 67.18 Favored 'General case' 0 N--CA 1.437 -1.093 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 -179.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 50.6 mtm -62.39 -40.45 96.53 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-O 118.156 -0.926 . . . . 0.0 109.923 177.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -58.93 -43.84 91.24 Favored 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 107.748 -1.205 . . . . 0.0 107.748 178.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -54.36 -49.64 59.54 Favored Glycine 0 CA--C 1.532 1.127 0 N-CA-C 110.571 -1.012 . . . . 0.0 110.571 177.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -66.39 -50.91 61.88 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 118.287 1.043 . . . . 0.0 109.652 178.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.71 -53.46 7.28 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 127.747 2.419 . . . . 0.0 110.583 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -87.34 6.77 31.94 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.416 1.086 . . . . 0.0 112.652 -177.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.76 30.65 63.06 Favored Glycine 0 CA--C 1.531 1.044 0 CA-C-N 119.042 0.837 . . . . 0.0 112.575 -179.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.9 t -99.13 -14.12 19.5 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.501 1.12 . . . . 0.0 111.22 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 5.9 t80 . . . . . 0 CA--C 1.519 -0.218 0 N-CA-C 106.291 -1.744 . . . . 0.0 106.291 179.028 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.7 mttp . . . . . 0 N--CA 1.436 -1.128 0 N-CA-C 111.798 0.296 . . . . 0.0 111.798 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.13 -38.59 60.99 Favored 'General case' 0 C--N 1.342 0.282 0 O-C-N 120.799 -1.188 . . . . 0.0 107.902 177.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 59.8 mtt -60.98 -43.76 98.35 Favored 'General case' 0 C--N 1.341 0.219 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 177.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.3 mmm -55.13 -61.79 2.09 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 114.759 -1.109 . . . . 0.0 109.047 177.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 91.2 m -46.15 -50.07 16.0 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.181 0.992 . . . . 0.0 110.141 177.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -56.87 -40.21 75.76 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 122.968 0.507 . . . . 0.0 111.233 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.24 -58.16 3.81 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 122.102 0.953 . . . . 0.0 108.971 178.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 61.1 t -48.87 -41.98 13.45 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 C-N-CA 127.072 2.149 . . . . 0.0 113.29 -177.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.2 pttp -55.65 -22.94 25.28 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 120.075 1.307 . . . . 0.0 113.202 -179.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 41.4 tttm -65.11 -28.15 69.24 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 118.893 0.769 . . . . 0.0 111.604 178.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -100.15 144.77 28.78 Favored 'General case' 0 N--CA 1.432 -1.35 0 C-N-CA 126.763 2.025 . . . . 0.0 110.357 -175.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 89.3 p -97.63 165.29 12.04 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 127.815 2.446 . . . . 0.0 109.09 179.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -40.92 -50.33 3.25 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.46 1.104 . . . . 0.0 113.278 -179.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -59.43 -51.33 70.35 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 121.378 0.609 . . . . 0.0 110.204 -179.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -60.28 -44.6 95.2 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 123.097 0.559 . . . . 0.0 110.245 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 49.0 mt -58.97 -48.2 82.38 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.778 0.831 . . . . 0.0 109.641 178.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 46.6 tptt -61.94 -40.62 96.15 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.04 -42.8 89.08 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 72' ' ' LEU . 12.1 mt -57.93 -58.91 6.32 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 177.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -50.7 -49.67 56.9 Favored 'General case' 0 CA--C 1.531 0.229 0 O-C-N 123.405 0.441 . . . . 0.0 110.41 -178.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -51.96 -44.23 63.88 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 176.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -66.16 -54.73 21.87 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 118.402 -0.809 . . . . 0.0 109.193 177.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.6 mpp? -51.65 -27.38 11.32 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 120.243 1.383 . . . . 0.0 112.831 177.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.6 t -56.58 -28.42 60.22 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 120.462 -1.399 . . . . 0.0 110.078 176.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 41.4 mttp -107.04 40.62 1.62 Allowed 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 127.559 2.344 . . . . 0.0 109.348 179.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.0 tp . . . . . 0 C--O 1.25 1.108 0 C-N-CA 125.4 1.48 . . . . 0.0 109.905 179.215 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 CA--C 1.533 0.313 0 N-CA-C 113.369 0.877 . . . . 0.0 113.369 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -49.42 -46.29 36.43 Favored Glycine 0 CA--C 1.525 0.685 0 C-N-CA 123.991 0.805 . . . . 0.0 111.557 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.6 -35.2 40.54 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.069 0.948 . . . . 0.0 112.123 179.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.93 -19.02 35.41 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 118.847 -0.596 . . . . 0.0 111.059 -177.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.461 ' CB ' HD13 ' A' ' 72' ' ' LEU . 12.7 mt -90.78 -27.88 18.6 Favored 'General case' 0 N--CA 1.434 -1.24 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 -178.529 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.414 ' CE1' ' SD ' ' A' ' 76' ' ' MET . 0.8 OUTLIER -73.52 -13.96 61.13 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 114.241 1.2 . . . . 0.0 114.241 178.916 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -52.11 -45.49 64.92 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 120.996 -1.065 . . . . 0.0 112.796 -178.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 p -64.18 -19.63 65.46 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.087 0.955 . . . . 0.0 112.533 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.7 m -91.7 -40.87 11.02 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 126.635 1.974 . . . . 0.0 109.42 -176.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -46.38 -32.55 1.65 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 C-N-CA 125.508 1.523 . . . . 0.0 110.909 179.642 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -51.06 -45.19 51.39 Favored Glycine 0 CA--C 1.534 1.251 0 N-CA-C 111.89 -0.484 . . . . 0.0 111.89 177.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 13.7 m -91.3 -42.34 10.43 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 117.846 0.823 . . . . 0.0 110.182 179.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 61.4 m-70 -70.77 -15.45 62.67 Favored 'General case' 0 N--CA 1.432 -1.374 0 C-N-CA 126.369 1.867 . . . . 0.0 115.347 -175.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 65.18 107.64 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 N-CA-C 116.933 1.533 . . . . 0.0 116.933 175.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 56.76 -67.29 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 128.486 2.714 . . . . 0.0 114.28 176.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -151.58 75.82 1.18 Allowed 'General case' 0 N--CA 1.433 -1.324 0 C-N-CA 127.488 2.315 . . . . 0.0 106.749 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 42.33 30.34 0.8 Allowed Glycine 0 C--N 1.337 0.611 0 C-N-CA 126.315 1.912 . . . . 0.0 115.981 178.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 93.9 p -86.33 -35.32 19.92 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.654 0.782 . . . . 0.0 112.755 -177.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 47.6 tttm -79.11 137.34 37.45 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 121.612 0.72 . . . . 0.0 110.059 -178.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.45 85.24 1.12 Allowed 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 106.621 -1.622 . . . . 0.0 106.621 177.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -42.28 134.37 2.91 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 115.261 1.578 . . . . 0.0 115.261 -176.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 10.6 tpt 24.55 -80.89 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 131.042 3.737 . . . . 0.0 115.323 178.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.04 -35.06 53.35 Favored Glycine 0 CA--C 1.528 0.845 0 CA-C-O 119.866 -0.408 . . . . 0.0 112.161 -179.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 74.2 m 122.3 57.45 0.0 OUTLIER 'General case' 0 CA--C 1.527 0.066 0 C-N-CA 131.611 3.964 . . . . 0.0 106.095 -179.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.97 140.68 48.03 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 113.931 1.085 . . . . 0.0 113.931 -177.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.5 pttp -64.0 113.63 10.85 Favored Pre-proline 0 CA--C 1.541 0.603 0 N-CA-C 101.069 -3.678 . . . . 0.0 101.069 170.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_exo -30.84 122.05 0.07 OUTLIER 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 124.49 3.46 . . . . 0.0 113.054 -174.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.4 m -62.33 -28.46 44.65 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 N-CA-C 106.337 -1.727 . . . . 0.0 106.337 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.434 ' HA ' ' HB3' ' A' ' 79' ' ' LEU . 34.4 tttp -57.76 108.64 0.59 Allowed 'General case' 0 N--CA 1.446 -0.657 0 CA-C-O 121.526 0.679 . . . . 0.0 109.899 172.559 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 118.58 -24.87 8.34 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 114.096 -1.411 . . . . 0.0 109.787 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -67.27 144.63 55.82 Favored 'General case' 0 N--CA 1.439 -1.023 0 N-CA-C 106.523 -1.658 . . . . 0.0 106.523 177.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -85.69 151.38 25.16 Favored Glycine 0 N--CA 1.469 0.865 0 CA-C-O 119.178 -0.79 . . . . 0.0 113.375 -176.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -46.26 -52.03 13.34 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-N 119.385 1.593 . . . . 0.0 111.44 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -55.67 -47.11 77.27 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -57.42 -61.53 2.42 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 124.567 1.147 . . . . 0.0 109.144 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.6 mt -53.5 -42.21 67.08 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 124.884 1.274 . . . . 0.0 111.59 -179.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -70.42 -43.52 69.77 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 124.26 1.024 . . . . 0.0 110.627 -178.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 66.5 tttm -64.68 -41.7 95.87 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 -179.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -69.89 -45.54 67.4 Favored 'General case' 0 N--CA 1.439 -1.007 0 C-N-CA 122.943 0.497 . . . . 0.0 110.34 -178.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 53.9 mtm -63.84 -42.58 97.57 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-O 118.021 -0.99 . . . . 0.0 109.579 178.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -56.97 -47.55 80.47 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 106.46 -1.681 . . . . 0.0 106.46 176.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -51.3 -41.83 48.47 Favored Glycine 0 CA--C 1.531 1.036 0 C-N-CA 124.045 0.831 . . . . 0.0 111.433 177.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -77.79 -38.93 45.58 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 119.494 1.647 . . . . 0.0 110.297 177.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.92 -49.63 62.7 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.241 1.416 . . . . 0.0 108.224 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -83.73 -29.12 27.76 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.76 0.824 . . . . 0.0 110.991 178.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.09 18.56 28.8 Favored Glycine 0 CA--C 1.531 1.071 0 C-N-CA 124.632 1.11 . . . . 0.0 114.001 177.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 21.9 t -90.61 -18.19 25.59 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 118.317 1.059 . . . . 0.0 112.084 179.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 37.6 t80 . . . . . 0 N--CA 1.467 0.388 0 CA-C-N 119.622 1.101 . . . . 0.0 109.652 179.42 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 25.5 pttm . . . . . 0 CA--C 1.534 0.346 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.77 -53.58 48.67 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 123.167 0.587 . . . . 0.0 109.824 -179.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 15.2 tpt -56.76 -45.75 81.87 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 18.3 mmm -56.98 -51.68 68.25 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 124.091 0.956 . . . . 0.0 110.657 179.018 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 75.1 m -55.38 -49.41 72.38 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 178.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -56.61 -34.66 67.44 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 122.554 0.341 . . . . 0.0 110.364 177.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.45 -45.79 61.69 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 122.996 0.518 . . . . 0.0 111.573 -179.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.5 m -92.07 -16.22 7.97 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-O 117.714 -1.136 . . . . 0.0 113.934 -175.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -50.8 -33.31 22.91 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 121.035 1.743 . . . . 0.0 113.154 -176.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.4 pttp -74.94 -2.63 27.94 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.416 0.687 . . . . 0.0 112.762 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 19.2 m-30 -112.6 139.81 47.88 Favored 'General case' 0 N--CA 1.438 -1.064 0 C-N-CA 125.896 1.678 . . . . 0.0 107.097 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 80.3 p -100.58 166.37 10.94 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 127.405 2.282 . . . . 0.0 109.696 -179.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -39.27 -49.13 1.91 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.69 1.196 . . . . 0.0 114.072 -178.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -61.0 -49.66 76.54 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 121.473 0.654 . . . . 0.0 110.317 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -59.68 -51.89 67.87 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 55.5 mt -54.53 -51.09 66.26 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 124.952 1.301 . . . . 0.0 111.382 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.8 ttpm? -56.13 -47.63 77.78 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.66 -41.04 92.99 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.431 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.461 HD13 ' CB ' ' A' ' 6' ' ' LEU . 12.9 tp -58.4 -48.33 80.98 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 123.753 0.821 . . . . 0.0 109.278 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.04 -45.24 89.74 Favored 'General case' 0 CA--C 1.518 -0.267 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 179.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -52.84 -48.2 67.18 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 178.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -59.56 -56.81 17.22 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 178.079 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.414 ' SD ' ' CE1' ' A' ' 7' ' ' TYR . 41.6 mtm -51.08 -39.9 57.13 Favored 'General case' 0 C--O 1.222 -0.384 0 C-N-CA 120.416 -0.513 . . . . 0.0 111.611 179.334 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.8 t -61.23 -9.38 4.85 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 117.91 -1.043 . . . . 0.0 113.18 -179.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 24.1 ttpp -78.23 -23.49 47.39 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 119.642 1.11 . . . . 0.0 108.675 175.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.434 ' HB3' ' HA ' ' A' ' 30' ' ' LYS . 1.7 mp . . . . . 0 C--O 1.251 1.164 0 CA-C-O 116.956 -1.497 . . . . 0.0 110.381 178.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 . . . . . 0 N--CA 1.447 -0.608 0 N-CA-C 105.984 -1.858 . . . . 0.0 105.984 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 78.31 83.02 0.61 Allowed Glycine 0 N--CA 1.442 -0.929 1 N-CA-C 101.178 -4.769 . . . . 0.0 101.178 -174.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 106.84 -35.17 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 129.645 3.178 . . . . 0.0 106.421 -172.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -86.8 -9.84 54.91 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 118.755 -1.178 . . . . 0.0 111.213 -178.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 21.2 mt -92.48 -35.8 13.43 Favored 'General case' 0 N--CA 1.441 -0.908 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 177.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.544 ' CD1' HD22 ' A' ' 72' ' ' LEU . 0.7 OUTLIER -73.62 -8.55 56.42 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 116.788 2.144 . . . . 0.0 116.788 -177.404 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.49 -41.27 9.4 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 119.789 1.177 . . . . 0.0 113.348 -178.091 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.43 -43.36 81.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 122.229 1.014 . . . . 0.0 112.294 179.394 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 7.0 m -63.66 -36.08 82.65 Favored 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 127.115 2.166 . . . . 0.0 108.879 -176.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -51.37 -26.77 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.812 0 CA-C-N 114.051 -1.432 . . . . 0.0 110.277 177.125 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -55.0 -43.35 82.92 Favored Glycine 0 CA--C 1.532 1.121 0 CA-C-N 118.65 0.659 . . . . 0.0 111.82 177.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.6 m -93.97 -42.27 9.14 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 117.977 0.889 . . . . 0.0 109.976 179.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.408 ' HB3' ' HA2' ' A' ' 18' ' ' GLY . 93.7 m-70 -71.49 -22.34 61.81 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 113.909 1.078 . . . . 0.0 113.909 -176.256 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.26 100.56 0.25 Allowed Glycine 0 CA--C 1.526 0.725 0 N-CA-C 116.04 1.176 . . . . 0.0 116.04 175.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 39.41 -77.06 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 128.767 2.827 . . . . 0.0 115.382 176.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -95.98 23.29 6.53 Favored 'General case' 0 N--CA 1.441 -0.884 0 C-N-CA 126.851 2.06 . . . . 0.0 110.615 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.408 ' HA2' ' HB3' ' A' ' 14' ' ' HIS . . . 52.76 40.28 56.31 Favored Glycine 0 CA--C 1.53 1.0 0 C-N-CA 125.578 1.561 . . . . 0.0 112.888 179.629 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.1 p -96.4 -27.09 15.09 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.805 1.242 . . . . 0.0 113.479 -177.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -75.2 138.04 41.69 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 121.836 0.826 . . . . 0.0 110.775 -176.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.09 82.33 0.97 Allowed 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 106.992 -1.484 . . . . 0.0 106.992 178.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -36.3 124.96 0.79 Allowed 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 125.773 1.629 . . . . 0.0 114.743 -176.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 26.5 mmt 22.63 -75.16 0.0 OUTLIER 'General case' 0 C--N 1.343 0.29 1 C-N-CA 132.014 4.125 . . . . 0.0 115.634 177.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -52.63 -29.72 33.17 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.632 -0.587 . . . . 0.0 111.632 179.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 25.8 m 111.6 62.72 0.0 OUTLIER 'General case' 0 C--O 1.232 0.139 1 C-N-CA 131.747 4.019 . . . . 0.0 106.006 -179.592 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.79 151.37 47.61 Favored 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 114.949 1.462 . . . . 0.0 114.949 -178.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.2 pttm -68.13 116.04 34.97 Favored Pre-proline 0 N--CA 1.447 -0.579 0 N-CA-C 102.371 -3.196 . . . . 0.0 102.371 170.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_exo -38.28 121.67 0.52 Allowed 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 123.514 2.809 . . . . 0.0 112.583 -177.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.4 m -65.47 -25.96 38.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 C-N-CA 119.185 -1.006 . . . . 0.0 108.328 -179.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.586 ' HA ' HD23 ' A' ' 79' ' ' LEU . 54.3 tttp -58.23 102.25 0.1 Allowed 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 122.08 0.943 . . . . 0.0 110.713 174.528 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 113.62 -10.48 23.66 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 113.413 -1.721 . . . . 0.0 112.113 178.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -65.53 147.34 53.57 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 106.908 -1.515 . . . . 0.0 106.908 178.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -79.27 143.01 25.67 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 120.966 -1.084 . . . . 0.0 114.54 -175.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.17 -48.66 34.35 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 119.532 1.666 . . . . 0.0 112.179 -179.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -59.71 -42.87 94.01 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 120.949 0.404 . . . . 0.0 109.922 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -61.41 -61.26 2.67 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 124.487 1.115 . . . . 0.0 108.448 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 38.2 mt -48.63 -48.32 39.54 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 127.001 2.12 . . . . 0.0 110.249 179.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -66.6 -52.42 45.48 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 123.011 0.525 . . . . 0.0 111.78 -179.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.2 ttpm? -58.0 -39.62 78.72 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 121.512 0.672 . . . . 0.0 109.759 -178.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -70.42 -50.47 38.09 Favored 'General case' 0 N--CA 1.438 -1.075 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.608 -178.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 59.8 mtm -62.19 -33.96 75.55 Favored 'General case' 0 C--O 1.22 -0.484 0 CA-C-O 118.586 -0.721 . . . . 0.0 109.931 178.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.7 tptt -63.53 -46.37 86.33 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 106.668 -1.604 . . . . 0.0 106.668 177.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -54.33 -52.96 40.89 Favored Glycine 0 CA--C 1.528 0.865 0 N-CA-C 110.431 -1.068 . . . . 0.0 110.431 176.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.0 m-30 -60.63 -44.59 96.18 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.254 1.027 . . . . 0.0 110.162 178.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.52 -45.27 66.19 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.196 0.998 . . . . 0.0 108.641 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -87.17 1.03 54.33 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.216 1.006 . . . . 0.0 112.719 -178.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.6 31.16 66.57 Favored Glycine 0 CA--C 1.534 1.27 0 CA-C-N 119.263 0.938 . . . . 0.0 111.698 -177.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.0 t -112.07 26.67 10.36 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.737 1.615 . . . . 0.0 111.613 -178.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 5.0 t80 . . . . . 0 N--CA 1.455 -0.2 0 N-CA-C 104.718 -2.327 . . . . 0.0 104.718 179.249 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.423 ' HA ' ' HB2' ' A' ' 57' ' ' MET . 65.3 mttm . . . . . 0 N--CA 1.434 -1.259 0 N-CA-C 113.615 0.969 . . . . 0.0 113.615 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.78 -49.47 38.6 Favored 'General case' 0 C--O 1.232 0.146 0 O-C-N 121.249 -0.907 . . . . 0.0 109.298 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 72.0 mtm -55.1 -49.83 70.73 Favored 'General case' 0 CA--C 1.529 0.139 0 N-CA-C 107.105 -1.443 . . . . 0.0 107.105 177.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.423 ' HB2' ' HA ' ' A' ' 54' ' ' LYS . 25.2 mmm -51.58 -54.67 25.19 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 125.562 1.545 . . . . 0.0 110.7 177.548 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 30.2 m -50.62 -53.58 29.65 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 123.266 0.626 . . . . 0.0 109.599 178.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.96 -34.72 73.64 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.691 -0.231 . . . . 0.0 110.636 179.445 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.13 -52.11 21.17 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 113.783 1.031 . . . . 0.0 113.783 -178.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.2 m -76.53 -27.58 17.29 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 C-N-CA 119.181 -1.008 . . . . 0.0 113.004 -172.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.79 -12.41 4.31 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 114.171 1.175 . . . . 0.0 114.171 -176.325 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.5 pttp -71.35 -21.18 62.07 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 119.298 0.954 . . . . 0.0 109.934 176.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -85.75 -167.51 1.88 Allowed 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 125.393 1.477 . . . . 0.0 108.288 177.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.2 m -159.27 158.08 31.82 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 127.366 2.266 . . . . 0.0 106.889 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -29.65 -48.25 0.08 Allowed 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 126.854 2.062 . . . . 0.0 115.58 -176.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -64.24 -51.35 64.07 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 119.161 0.891 . . . . 0.0 110.481 -179.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 28.2 mp0 -63.09 -42.33 99.59 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 179.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.4 mt -60.85 -43.04 98.85 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 178.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.8 ttpm? -63.02 -45.17 93.58 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 178.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.45 -46.94 85.56 Favored 'General case' 0 CA--C 1.529 0.155 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 178.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.544 HD22 ' CD1' ' A' ' 7' ' ' TYR . 12.5 mt -59.0 -52.62 64.98 Favored 'General case' 0 N--CA 1.447 -0.594 0 O-C-N 121.981 -0.449 . . . . 0.0 110.825 178.55 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.54 -40.62 87.81 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 -178.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -57.27 -48.66 78.31 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 177.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -57.94 -59.38 5.34 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 178.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.403 ' SD ' ' CZ ' ' A' ' 7' ' ' TYR . 67.3 mtm -54.72 -33.96 61.78 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 179.312 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.7 t -77.5 -4.17 44.22 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 121.17 -0.956 . . . . 0.0 111.901 178.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -128.05 28.45 5.54 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.557 1.943 . . . . 0.0 107.112 179.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.586 HD23 ' HA ' ' A' ' 30' ' ' LYS . 12.0 tp . . . . . 0 C--O 1.25 1.117 0 C-N-CA 126.47 1.908 . . . . 0.0 111.441 -178.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 . . . . . 0 CA--C 1.53 0.182 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -53.79 -60.26 8.59 Favored Glycine 0 C--N 1.337 0.622 0 N-CA-C 110.759 -0.936 . . . . 0.0 110.759 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -47.91 -43.49 28.88 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 117.18 0.49 . . . . 0.0 111.518 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.33 -42.49 98.98 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 119.401 -0.333 . . . . 0.0 111.447 -179.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 38.9 mt -69.45 -43.07 74.02 Favored 'General case' 0 N--CA 1.438 -1.047 0 CA-C-N 118.906 0.775 . . . . 0.0 108.919 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.411 ' N ' HD21 ' A' ' 72' ' ' LEU . 1.8 t80 -64.62 -15.23 60.86 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 114.505 1.298 . . . . 0.0 114.505 -178.332 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -47.08 -42.45 18.84 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 119.823 1.192 . . . . 0.0 109.991 177.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -66.55 7.43 0.34 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 127.542 2.337 . . . . 0.0 114.036 179.429 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.0 m -131.88 -35.17 1.26 Allowed 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 126.368 1.867 . . . . 0.0 110.615 -173.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.5 mm -43.05 -35.85 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 C-N-CA 125.605 1.562 . . . . 0.0 110.478 177.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -51.95 -44.35 55.99 Favored Glycine 0 CA--C 1.536 1.369 0 CA-C-N 118.335 0.516 . . . . 0.0 112.669 178.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.2 m -89.37 -44.61 10.07 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 118.097 0.948 . . . . 0.0 111.164 -179.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 52.8 m-70 -78.65 -34.58 46.28 Favored 'General case' 0 N--CA 1.435 -1.212 0 N-CA-C 116.924 2.194 . . . . 0.0 116.924 -174.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 97.79 155.05 29.75 Favored Glycine 0 CA--C 1.531 1.053 0 N-CA-C 107.225 -2.35 . . . . 0.0 107.225 -175.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.83 -43.39 59.09 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 118.658 1.229 . . . . 0.0 110.977 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 57.7 p30 -88.38 8.38 27.97 Favored 'General case' 0 N--CA 1.436 -1.139 0 C-N-CA 129.29 3.036 . . . . 0.0 112.719 -179.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.519 ' HA3' HD21 ' A' ' 79' ' ' LEU . . . 43.33 31.07 1.39 Allowed Glycine 0 CA--C 1.527 0.819 0 C-N-CA 126.044 1.783 . . . . 0.0 113.495 -177.476 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.1 m -94.35 -18.28 21.75 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 123.332 0.653 . . . . 0.0 111.075 -178.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -70.45 123.2 21.2 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 178.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.53 85.34 0.62 Allowed 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 106.218 -1.771 . . . . 0.0 106.218 177.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.13 141.75 7.78 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 115.458 1.651 . . . . 0.0 115.458 -175.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 15.2 tpt 31.13 -84.81 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 130.249 3.42 . . . . 0.0 114.672 178.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.32 -33.16 64.96 Favored Glycine 0 CA--C 1.525 0.672 0 C-N-CA 123.322 0.487 . . . . 0.0 112.882 -178.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 67.8 m 119.9 60.36 0.0 OUTLIER 'General case' 0 N--CA 1.457 -0.098 0 C-N-CA 131.367 3.867 . . . . 0.0 104.086 -177.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.39 143.4 19.14 Favored 'General case' 0 N--CA 1.439 -1.022 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 -176.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -60.55 113.2 6.95 Favored Pre-proline 0 N--CA 1.448 -0.561 0 N-CA-C 101.433 -3.543 . . . . 0.0 101.433 172.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -34.95 121.06 0.16 Allowed 'Trans proline' 0 N--CA 1.454 -0.816 0 C-N-CA 123.419 2.746 . . . . 0.0 111.818 -175.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.0 t -61.7 -40.94 88.54 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 N-CA-C 105.032 -2.21 . . . . 0.0 105.032 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -49.42 115.79 1.48 Allowed 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 124.516 1.126 . . . . 0.0 109.058 173.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 105.74 -15.41 45.03 Favored Glycine 0 N--CA 1.443 -0.866 0 C-N-CA 124.83 1.205 . . . . 0.0 111.086 177.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -69.92 143.42 52.73 Favored 'General case' 0 N--CA 1.435 -1.224 0 CA-C-N 118.734 1.267 . . . . 0.0 108.026 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -86.2 148.42 22.23 Favored Glycine 0 N--CA 1.471 1.008 0 O-C-N 121.262 -0.899 . . . . 0.0 113.595 -176.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -46.92 -48.41 21.34 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 119.697 1.749 . . . . 0.0 112.211 -178.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -59.29 -47.74 84.26 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -56.91 -60.54 3.43 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 125.2 1.4 . . . . 0.0 109.157 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 35.0 mt -50.8 -49.3 58.8 Favored 'General case' 0 N--CA 1.441 -0.898 0 C-N-CA 126.789 2.036 . . . . 0.0 109.83 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -65.74 -48.25 72.55 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 119.042 -0.504 . . . . 0.0 110.95 -178.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -60.88 -40.2 92.11 Favored 'General case' 0 N--CA 1.426 -1.64 0 CA-C-N 119.492 1.042 . . . . 0.0 110.486 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -70.66 -48.31 55.5 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-O 121.144 0.497 . . . . 0.0 110.922 -178.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -64.71 -38.04 89.64 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -65.4 -41.84 93.24 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 106.701 -1.592 . . . . 0.0 106.701 176.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.17 -49.34 50.46 Favored Glycine 0 CA--C 1.529 0.926 0 N-CA-C 108.842 -1.703 . . . . 0.0 108.842 176.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -66.61 -47.12 73.66 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 118.328 1.064 . . . . 0.0 109.883 178.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -48.62 -46.91 40.35 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.557 1.143 . . . . 0.0 110.693 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -93.1 8.1 41.45 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.784 1.234 . . . . 0.0 112.661 -178.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 52.16 36.32 44.06 Favored Glycine 0 CA--C 1.533 1.195 0 C-N-CA 124.126 0.87 . . . . 0.0 113.22 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.4 t -111.43 18.8 18.83 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.472 1.509 . . . . 0.0 112.005 -178.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 5.0 t80 . . . . . 0 N--CA 1.456 -0.168 0 N-CA-C 105.611 -1.996 . . . . 0.0 105.611 179.374 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.444 -0.743 0 N-CA-C 113.253 0.835 . . . . 0.0 113.253 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.4 -41.53 98.74 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 121.009 -1.057 . . . . 0.0 108.226 175.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 85.2 mtp -61.98 -45.93 91.48 Favored 'General case' 0 C--N 1.34 0.187 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 178.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 28.4 mmm -55.13 -53.23 58.56 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.153 178.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 89.3 m -51.04 -52.38 43.75 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 178.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -57.4 -34.34 68.78 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.027 178.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.29 -47.64 48.47 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.3 m -86.57 -21.72 7.33 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 -173.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 25.8 pttm -47.39 -29.84 2.89 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 120.016 1.28 . . . . 0.0 114.416 -176.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.7 pttm -68.76 -18.01 64.14 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -179.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -83.48 -168.52 2.14 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-O 123.789 1.756 . . . . 0.0 110.8 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 58.7 m -153.16 163.57 39.64 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 128.566 2.747 . . . . 0.0 107.897 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -36.04 -50.28 0.69 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.88 1.672 . . . . 0.0 113.767 -178.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.78 -53.87 52.08 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -178.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -56.62 -46.5 80.9 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.705 0.802 . . . . 0.0 109.464 179.085 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.8 mt -58.97 -48.76 80.38 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 118.063 0.392 . . . . 0.0 110.217 179.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.1 tmmm? -57.3 -46.86 82.76 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 179.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.96 -45.76 90.91 Favored 'General case' 0 N--CA 1.454 -0.242 0 O-C-N 122.044 -0.41 . . . . 0.0 110.541 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.411 HD21 ' N ' ' A' ' 7' ' ' TYR . 14.8 mt -58.42 -49.74 76.2 Favored 'General case' 0 N--CA 1.448 -0.543 0 O-C-N 121.828 -0.545 . . . . 0.0 109.858 179.002 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.48 -36.87 83.86 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -58.79 -48.88 79.72 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 177.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -58.7 -60.78 3.28 Favored 'General case' 0 C--N 1.342 0.275 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 177.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 74.7 mtm -52.73 -30.81 34.53 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 178.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.8 t -70.1 -17.95 63.23 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 120.017 -1.677 . . . . 0.0 111.908 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -96.75 15.93 20.54 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 176.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.519 HD21 ' HA3' ' A' ' 18' ' ' GLY . 4.4 tp . . . . . 0 C--O 1.249 1.067 0 C-N-CA 126.076 1.751 . . . . 0.0 107.373 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 CA--C 1.532 0.253 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -47.62 -47.7 23.45 Favored Glycine 0 CA--C 1.527 0.841 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 178.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.37 -29.64 58.81 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.92 -46.65 13.76 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 179.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 85.0 mt -56.36 -46.09 80.18 Favored 'General case' 0 N--CA 1.439 -0.999 0 CA-C-O 119.12 -0.467 . . . . 0.0 110.006 -178.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.462 ' CE1' ' SD ' ' A' ' 76' ' ' MET . 2.1 t80 -63.66 -14.3 50.74 Favored 'General case' 0 C--N 1.345 0.392 0 N-CA-C 114.659 1.355 . . . . 0.0 114.659 -177.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -60.35 -24.55 65.15 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 120.98 -1.075 . . . . 0.0 110.086 177.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.08 -3.26 25.23 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.814 0.846 . . . . 0.0 112.293 177.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.2 m -119.52 -34.05 3.9 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 127.323 2.249 . . . . 0.0 111.742 -174.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.1 mp -43.2 -31.39 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 C-N-CA 126.051 1.74 . . . . 0.0 110.714 177.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -50.77 -46.0 48.46 Favored Glycine 0 CA--C 1.537 1.42 0 O-C-N 121.655 -0.653 . . . . 0.0 112.475 177.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.5 m -91.74 -45.7 8.29 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 118.265 1.032 . . . . 0.0 110.675 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.429 ' CE1' HG21 ' A' ' 29' ' ' VAL . 94.8 m-70 -75.18 -17.58 60.35 Favored 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 -175.384 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.9 157.16 31.41 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 109.887 -1.285 . . . . 0.0 109.887 -178.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -36.63 -59.92 0.63 Allowed 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.96 1.704 . . . . 0.0 112.997 -178.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -100.08 32.93 2.77 Favored 'General case' 0 N--CA 1.443 -0.825 0 C-N-CA 126.104 1.761 . . . . 0.0 111.747 -179.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 45.61 35.18 5.5 Favored Glycine 0 CA--C 1.53 1.015 0 C-N-CA 125.416 1.484 . . . . 0.0 114.715 178.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.3 p -86.65 -29.44 22.51 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 125.797 1.639 . . . . 0.0 113.145 -177.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -71.36 136.78 47.96 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 121.492 0.663 . . . . 0.0 110.717 -177.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.97 77.58 2.85 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 104.92 -2.252 . . . . 0.0 104.92 175.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -32.22 121.72 0.31 Allowed 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 126.194 1.798 . . . . 0.0 115.071 -175.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 26.5 mmt 22.89 -69.81 0.0 OUTLIER 'General case' 0 C--N 1.344 0.349 1 C-N-CA 132.307 4.243 . . . . 0.0 115.297 178.084 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.16 -24.89 37.64 Favored Glycine 0 CA--C 1.527 0.823 0 C-N-CA 124.017 0.818 . . . . 0.0 112.405 178.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.5 m 107.21 53.53 0.0 OUTLIER 'General case' 0 C--N 1.335 -0.054 0 C-N-CA 130.883 3.673 . . . . 0.0 106.118 -179.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.44 153.15 27.88 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 115.621 1.712 . . . . 0.0 115.621 -176.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -64.42 133.87 95.81 Favored Pre-proline 0 N--CA 1.449 -0.515 0 N-CA-C 102.533 -3.136 . . . . 0.0 102.533 172.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -49.02 113.74 1.02 Allowed 'Trans proline' 0 N--CA 1.456 -0.685 0 C-N-CA 122.531 2.154 . . . . 0.0 110.924 -176.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.429 HG21 ' CE1' ' A' ' 14' ' ' HIS . 37.1 t -62.88 -31.98 54.32 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 CA-C-O 118.968 -0.539 . . . . 0.0 109.925 -177.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.444 ' HA ' HD23 ' A' ' 79' ' ' LEU . 60.3 tttm -46.46 86.51 0.0 OUTLIER 'General case' 0 CA--C 1.522 -0.13 0 N-CA-C 115.77 1.767 . . . . 0.0 115.77 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 80.52 24.97 57.81 Favored Glycine 0 N--CA 1.436 -1.356 0 CA-C-N 111.467 -2.606 . . . . 0.0 112.577 175.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . 0.292 20.8 pt20 -75.53 96.95 3.6 Favored 'General case' 0 N--CA 1.44 -0.937 0 CA-C-N 119.672 1.736 . . . . 0.0 109.336 179.419 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 53.52 -145.33 23.66 Favored Glycine 0 CA--C 1.545 1.949 0 C-N-CA 126.319 1.914 . . . . 0.0 111.129 -174.104 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -156.69 -61.63 0.1 Allowed 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 129.989 3.316 . . . . 0.0 102.255 176.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.3 tm-20 -57.59 -37.02 72.51 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 106.877 -1.527 . . . . 0.0 106.877 174.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -59.89 -65.02 0.74 Allowed 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 178.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.26 -38.43 58.17 Favored 'General case' 0 N--CA 1.451 -0.379 0 O-C-N 121.927 -0.483 . . . . 0.0 112.077 -179.319 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -66.1 -45.31 81.66 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 118.105 0.411 . . . . 0.0 111.209 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.7 ttmt -61.28 -44.9 96.47 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 -179.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 24.7 mmtp -66.48 -48.94 68.26 Favored 'General case' 0 N--CA 1.435 -1.188 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.99 -178.092 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 60.8 mtm -62.5 -39.46 93.58 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-O 118.143 -0.932 . . . . 0.0 109.866 178.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -58.68 -45.03 90.34 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 107.289 -1.375 . . . . 0.0 107.289 177.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -54.08 -54.32 32.2 Favored Glycine 0 CA--C 1.534 1.236 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 177.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -61.86 -52.55 63.67 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 118.252 1.026 . . . . 0.0 109.918 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -45.74 -53.46 9.43 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 127.222 2.209 . . . . 0.0 110.797 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -84.22 5.77 25.25 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.108 0.963 . . . . 0.0 112.48 -178.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 56.98 32.27 62.34 Favored Glycine 0 CA--C 1.531 1.073 0 CA-C-N 119.097 0.862 . . . . 0.0 112.024 -179.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.2 t -108.08 10.91 28.04 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.889 1.275 . . . . 0.0 111.357 -179.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 10.6 t80 . . . . . 0 N--CA 1.451 -0.393 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 -179.633 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 62.7 mttp . . . . . 0 N--CA 1.437 -1.095 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.62 -39.96 73.43 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 176.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 22.1 mmt -61.39 -43.29 99.13 Favored 'General case' 0 C--N 1.34 0.188 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 178.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 32.3 mmm -57.65 -61.48 2.48 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 177.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 64.2 m -44.11 -48.59 9.06 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.607 1.163 . . . . 0.0 109.765 177.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -60.13 -44.11 95.16 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 122.346 0.259 . . . . 0.0 111.401 179.06 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.82 -32.15 70.43 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 122.965 0.506 . . . . 0.0 111.861 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 74.8 t -84.01 -39.1 14.51 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 C-N-CA 125.841 1.656 . . . . 0.0 114.409 -175.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.1 pttp -50.83 -26.15 5.39 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 120.08 1.309 . . . . 0.0 114.183 -177.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -65.88 -21.7 66.47 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 118.425 0.557 . . . . 0.0 112.321 179.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -90.79 -169.67 2.45 Favored 'General case' 0 N--CA 1.441 -0.917 0 CA-C-O 123.855 1.788 . . . . 0.0 111.675 -178.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 38.5 m -157.47 158.65 36.15 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 129.016 2.926 . . . . 0.0 107.235 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -27.71 -54.08 0.09 Allowed 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 126.928 2.091 . . . . 0.0 115.194 -177.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -61.1 -48.98 79.16 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 121.392 0.615 . . . . 0.0 110.624 -178.077 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -61.39 -46.15 91.36 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 179.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 63.8 mt -57.84 -50.34 73.61 Favored 'General case' 0 C--N 1.34 0.161 0 CA-C-O 120.685 0.279 . . . . 0.0 110.462 179.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -56.68 -47.91 78.8 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 122.979 0.511 . . . . 0.0 109.681 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.39 -43.88 96.3 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -178.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.514 HD23 ' HA ' ' A' ' 72' ' ' LEU . 10.3 mt -58.98 -49.97 75.86 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 179.342 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.57 -51.2 69.54 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 117.919 0.327 . . . . 0.0 110.556 -178.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -51.33 -45.71 62.38 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 178.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -61.56 -61.59 2.42 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 177.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.469 ' HA ' HD22 ' A' ' 79' ' ' LEU . 66.8 mtm -47.72 -29.3 2.96 Favored 'General case' 0 C--N 1.342 0.253 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 178.279 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.0 t -56.35 -36.42 68.77 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 121.963 -0.461 . . . . 0.0 110.178 178.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.0 tmtm? -91.79 -42.9 9.84 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 175.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.469 HD22 ' HA ' ' A' ' 76' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.058 0 C-N-CA 128.163 2.585 . . . . 0.0 109.804 -179.197 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 . . . . . 0 N--CA 1.456 -0.171 0 CA-C-O 120.581 0.229 . . . . 0.0 110.561 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -47.19 -51.83 13.96 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 111.346 -0.702 . . . . 0.0 111.346 179.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.84 -29.27 54.72 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 179.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.21 -42.74 18.56 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 63.3 mt -62.37 -37.37 85.44 Favored 'General case' 0 N--CA 1.436 -1.163 0 C-N-CA 123.131 0.572 . . . . 0.0 109.597 -178.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -74.25 -9.54 58.71 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 115.262 1.578 . . . . 0.0 115.262 -178.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -53.91 -35.28 61.48 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 120.352 1.433 . . . . 0.0 113.598 -177.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 p -75.43 8.61 2.67 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.878 1.271 . . . . 0.0 112.655 178.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.2 m -121.8 -35.77 3.14 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 126.307 1.843 . . . . 0.0 108.82 -175.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 21.1 mm -45.77 -32.86 1.39 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 126.085 1.754 . . . . 0.0 109.949 175.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -55.66 -38.91 73.91 Favored Glycine 0 CA--C 1.537 1.428 0 O-C-N 121.409 -0.807 . . . . 0.0 112.73 178.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 t -94.77 -46.19 7.01 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 117.951 0.876 . . . . 0.0 110.577 -179.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -77.31 -23.1 51.05 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 -176.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.05 157.94 33.89 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.411 -1.076 . . . . 0.0 110.411 -178.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.56 -44.34 25.97 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.551 1.14 . . . . 0.0 111.661 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 56.6 p-10 -100.19 19.88 15.66 Favored 'General case' 0 N--CA 1.438 -1.06 0 C-N-CA 127.792 2.437 . . . . 0.0 113.067 -178.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 49.62 20.74 2.86 Favored Glycine 0 CA--C 1.528 0.865 0 C-N-CA 124.227 0.917 . . . . 0.0 115.282 179.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.2 m -95.33 -11.27 28.08 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 117.935 0.867 . . . . 0.0 112.51 -176.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -77.81 129.64 35.69 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 107.187 -1.412 . . . . 0.0 107.187 178.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.91 86.84 1.0 Allowed 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 107.622 -1.251 . . . . 0.0 107.622 178.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -31.07 113.42 0.11 Allowed 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 127.573 2.349 . . . . 0.0 113.21 -179.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 4.5 tpt 30.97 -78.85 0.0 OUTLIER 'General case' 0 C--N 1.344 0.346 0 C-N-CA 130.613 3.565 . . . . 0.0 114.863 176.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -51.96 -35.76 41.1 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 69.1 m 120.83 64.18 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 130.935 3.694 . . . . 0.0 106.496 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.52 149.74 48.07 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 119.302 -0.959 . . . . 0.0 112.82 179.196 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.46 120.68 72.4 Favored Pre-proline 0 N--CA 1.448 -0.557 0 N-CA-C 101.822 -3.399 . . . . 0.0 101.822 173.142 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_exo -30.69 112.98 0.04 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 124.456 3.437 . . . . 0.0 113.613 -177.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 24.1 t -60.8 -26.24 37.82 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 179.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.2 tptt -51.71 94.87 0.01 OUTLIER 'General case' 0 CA--C 1.518 -0.258 0 C-N-CA 125.32 1.448 . . . . 0.0 113.099 176.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 97.57 13.3 44.83 Favored Glycine 0 N--CA 1.449 -0.461 0 CA-C-N 112.888 -1.96 . . . . 0.0 113.072 176.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -65.47 151.73 45.66 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 106.017 -1.846 . . . . 0.0 106.017 177.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -69.78 132.45 24.35 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 119.943 -1.723 . . . . 0.0 113.19 -176.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.32 -47.85 36.54 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 119.801 1.8 . . . . 0.0 111.206 179.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -59.98 -42.37 94.05 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.8 tt0 -60.36 -62.2 2.04 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 178.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 41.0 mt -46.83 -46.27 20.72 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 126.596 1.958 . . . . 0.0 110.022 179.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -64.4 -54.63 29.8 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 122.898 0.479 . . . . 0.0 111.968 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.4 mtpm? -57.59 -41.47 81.24 Favored 'General case' 0 N--CA 1.429 -1.493 0 CA-C-N 118.933 0.788 . . . . 0.0 110.092 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp -62.26 -50.4 71.84 Favored 'General case' 0 N--CA 1.438 -1.04 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 64.3 mtm -62.81 -37.66 87.63 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 117.711 -1.138 . . . . 0.0 110.661 178.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.2 tptt -61.11 -41.78 97.32 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 120.412 1.46 . . . . 0.0 107.452 178.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -55.76 -51.26 56.31 Favored Glycine 0 CA--C 1.533 1.206 0 N-CA-C 110.412 -1.075 . . . . 0.0 110.412 176.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.403 ' CZ ' ' CE2' ' A' ' 49' ' ' TYR . 15.4 m-85 -68.17 -31.33 70.81 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.066 0.546 . . . . 0.0 111.694 179.241 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.06 -59.93 2.51 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 124.154 0.982 . . . . 0.0 110.511 -177.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -145.16 29.65 1.17 Allowed 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 -175.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -131.42 19.02 4.87 Favored Glycine 0 CA--C 1.527 0.796 0 CA-C-N 119.902 1.228 . . . . 0.0 113.057 -179.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.7 t 37.86 40.29 0.27 Allowed 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 127.933 2.493 . . . . 0.0 112.496 179.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.403 ' CE2' ' CZ ' ' A' ' 44' ' ' TYR . 1.8 t80 . . . . . 0 C--N 1.333 -0.15 0 N-CA-C 106.651 -1.611 . . . . 0.0 106.651 177.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.435 -1.196 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.02 -51.29 68.31 Favored 'General case' 0 CA--C 1.532 0.269 0 O-C-N 120.94 -1.1 . . . . 0.0 109.351 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 26.0 mmt -57.47 -49.86 74.92 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 178.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 32.1 mmm -50.51 -53.7 28.01 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.416 1.086 . . . . 0.0 111.749 179.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 28.2 m -52.07 -54.98 23.69 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -58.07 -37.55 74.67 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 179.226 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.11 -54.07 39.74 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 123.055 0.542 . . . . 0.0 111.644 -178.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.1 m -80.33 -23.07 11.43 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 C-N-CA 119.613 -0.835 . . . . 0.0 111.734 -174.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -49.84 -33.05 15.69 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -177.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -76.69 -7.89 56.2 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 -178.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -92.99 178.79 5.64 Favored 'General case' 0 N--CA 1.441 -0.899 0 N-CA-C 107.721 -1.215 . . . . 0.0 107.721 179.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.8 m -127.07 157.1 40.54 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 126.984 2.113 . . . . 0.0 109.446 -177.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -39.47 -50.86 2.16 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.176 1.39 . . . . 0.0 114.202 -179.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -63.74 -39.39 94.18 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 121.22 0.533 . . . . 0.0 110.21 -178.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -67.07 -44.9 78.93 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 179.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.5 mt -57.27 -46.23 83.27 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 122.993 0.517 . . . . 0.0 109.91 177.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -59.69 -49.51 77.45 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 178.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.54 -45.81 88.12 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 -179.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.4 mt -54.91 -59.86 4.16 Favored 'General case' 0 N--CA 1.441 -0.906 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 178.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.03 -46.13 78.95 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 117.985 0.357 . . . . 0.0 110.874 -177.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -52.45 -47.06 66.65 Favored 'General case' 0 N--CA 1.457 -0.077 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 179.135 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -65.71 -65.21 0.7 Allowed 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 119.103 -0.475 . . . . 0.0 109.883 177.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.1 mtp -46.05 -32.11 2.66 Favored 'General case' 0 C--N 1.34 0.18 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 -179.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.6 t -63.38 -35.18 79.54 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 121.699 -0.625 . . . . 0.0 110.266 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 38.2 mmtm -83.05 -48.38 10.67 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 176.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.099 0 C-N-CA 128.781 2.832 . . . . 0.0 110.018 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.7 t0 . . . . . 0 CA--C 1.533 0.321 0 CA-C-O 120.915 0.388 . . . . 0.0 111.878 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.52 -44.4 90.56 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 109.938 -1.265 . . . . 0.0 109.938 177.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.3 -7.68 20.26 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 112.902 0.704 . . . . 0.0 112.902 179.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -99.07 -52.02 3.67 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 106.753 -1.573 . . . . 0.0 106.753 175.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 32.7 mt -56.14 -41.25 75.09 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-O 119.0 -0.524 . . . . 0.0 110.952 -179.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.439 ' N ' HD21 ' A' ' 72' ' ' LEU . 4.3 t80 -67.96 -16.11 63.91 Favored 'General case' 0 C--N 1.345 0.41 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 -177.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.1 mmpt? -61.29 -25.19 66.94 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 120.761 -1.212 . . . . 0.0 110.458 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.95 -5.89 38.09 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.318 1.047 . . . . 0.0 112.304 177.721 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.9 m -112.38 -36.05 5.39 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 128.034 2.533 . . . . 0.0 110.708 -175.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -44.5 -30.25 0.64 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 C-N-CA 126.363 1.865 . . . . 0.0 110.638 177.166 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -50.6 -41.88 43.13 Favored Glycine 0 CA--C 1.536 1.375 0 CA-C-N 118.764 0.711 . . . . 0.0 111.546 176.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.2 m -97.47 -50.22 4.6 Favored 'General case' 0 C--N 1.341 0.235 0 CA-C-N 117.689 0.745 . . . . 0.0 109.927 178.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.432 ' CE1' HG21 ' A' ' 29' ' ' VAL . 69.4 m-70 -67.11 -19.25 65.59 Favored 'General case' 0 N--CA 1.433 -1.308 0 C-N-CA 126.701 2.0 . . . . 0.0 115.23 -175.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 83.95 155.69 21.81 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.346 -1.102 . . . . 0.0 110.346 -178.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -29.31 -58.69 0.15 Allowed 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 127.37 2.268 . . . . 0.0 113.769 -178.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -111.91 41.12 2.0 Favored 'General case' 0 N--CA 1.439 -0.988 0 C-N-CA 126.343 1.857 . . . . 0.0 111.571 -179.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 49.63 31.39 15.1 Favored Glycine 0 CA--C 1.531 1.052 0 CA-C-N 118.901 0.773 . . . . 0.0 114.384 178.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.6 p -87.73 -31.74 19.51 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 126.213 1.805 . . . . 0.0 112.772 -177.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -73.43 137.95 44.9 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 121.484 0.659 . . . . 0.0 109.285 -179.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.43 75.82 3.18 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 106.369 -1.715 . . . . 0.0 106.369 178.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -21.46 69.52 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 130.921 3.688 . . . . 0.0 119.897 -173.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 24.0 mmt 63.93 -67.27 0.1 Allowed 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 126.505 1.922 . . . . 0.0 109.898 178.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.61 36.21 1.83 Allowed Glycine 0 CA--C 1.526 0.763 0 O-C-N 121.493 -0.754 . . . . 0.0 111.855 178.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 27.3 m 52.23 49.89 19.58 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 125.997 1.719 . . . . 0.0 111.871 178.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.71 136.82 57.8 Favored 'General case' 0 C--N 1.346 0.448 0 C-N-CA 117.399 -1.72 . . . . 0.0 114.102 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -59.67 120.02 45.6 Favored Pre-proline 0 CA--C 1.54 0.59 0 N-CA-C 103.564 -2.754 . . . . 0.0 103.564 174.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -26.02 105.73 0.02 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.593 1 C-N-CA 125.501 4.134 . . . . 0.0 114.173 -175.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.432 HG21 ' CE1' ' A' ' 14' ' ' HIS . 47.2 t -61.24 -30.3 47.6 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -58.72 88.45 0.01 OUTLIER 'General case' 0 C--N 1.343 0.288 0 C-N-CA 124.897 1.279 . . . . 0.0 110.75 177.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 119.95 -2.53 13.21 Favored Glycine 0 CA--C 1.521 0.427 0 CA-C-N 114.59 -1.186 . . . . 0.0 113.317 177.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -62.36 146.71 50.51 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 106.12 -1.808 . . . . 0.0 106.12 176.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -77.57 143.27 27.91 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 120.844 -1.16 . . . . 0.0 113.947 -175.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.98 -48.28 16.56 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 119.621 1.71 . . . . 0.0 111.824 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -59.97 -44.06 94.68 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -59.89 -63.08 1.43 Allowed 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 42.1 mt -46.29 -48.38 18.12 Favored 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 126.814 2.046 . . . . 0.0 110.187 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -68.93 -49.76 55.24 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 118.882 -0.58 . . . . 0.0 112.049 -179.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 66.1 tttp -57.65 -40.19 78.74 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 118.806 0.73 . . . . 0.0 109.38 -179.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -67.18 -51.9 47.98 Favored 'General case' 0 N--CA 1.437 -1.119 0 C-N-CA 124.125 0.97 . . . . 0.0 110.257 -178.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 66.7 mtm -63.31 -35.99 82.19 Favored 'General case' 0 C--O 1.219 -0.53 0 CA-C-O 118.57 -0.729 . . . . 0.0 110.068 178.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -60.99 -46.98 88.58 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 177.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.57 -53.86 30.34 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.221 -1.152 . . . . 0.0 110.221 176.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -63.94 -41.86 97.48 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.23 1.015 . . . . 0.0 111.348 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.83 -50.11 61.52 Favored 'General case' 0 CA--C 1.527 0.092 0 C-N-CA 125.658 1.583 . . . . 0.0 108.434 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -86.5 7.84 24.37 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.515 1.126 . . . . 0.0 112.278 -179.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 52.51 34.5 42.67 Favored Glycine 0 CA--C 1.534 1.256 0 CA-C-N 119.204 0.911 . . . . 0.0 112.709 -179.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.8 t -118.21 34.77 5.02 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 125.656 1.582 . . . . 0.0 111.24 -178.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 27.3 t80 . . . . . 0 N--CA 1.454 -0.241 0 N-CA-C 106.594 -1.632 . . . . 0.0 106.594 179.887 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.0 pttm . . . . . 0 C--O 1.225 -0.215 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.78 -50.99 70.12 Favored 'General case' 0 N--CA 1.457 -0.118 0 O-C-N 122.365 -0.209 . . . . 0.0 110.681 -178.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 38.7 mmt -59.76 -43.11 94.46 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 179.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 36.2 mmm -57.92 -60.77 3.21 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.232 179.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 19.9 m -52.73 -42.16 64.63 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 118.82 0.736 . . . . 0.0 109.679 177.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.84 -38.99 90.26 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 119.624 1.102 . . . . 0.0 110.506 178.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.78 -36.14 65.02 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.93 0.892 . . . . 0.0 112.318 -178.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 53.8 t -87.28 -50.94 13.43 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 C-N-CA 126.671 1.989 . . . . 0.0 114.631 -175.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -54.91 -26.68 37.67 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 124.033 0.933 . . . . 0.0 112.975 -176.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -70.17 -18.64 63.21 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 118.836 0.743 . . . . 0.0 111.234 178.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -89.3 -178.49 5.64 Favored 'General case' 0 N--CA 1.437 -1.078 0 CA-C-O 122.556 1.17 . . . . 0.0 108.878 178.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.2 m -122.94 158.58 30.1 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 127.385 2.274 . . . . 0.0 109.46 -178.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -42.54 -47.28 5.12 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.873 1.269 . . . . 0.0 112.374 179.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -58.87 -49.56 77.32 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.172 0.989 . . . . 0.0 110.003 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -62.06 -44.06 97.5 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 81.3 mt -60.67 -43.43 97.69 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 122.826 0.45 . . . . 0.0 110.307 178.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.53 -45.65 89.61 Favored 'General case' 0 N--CA 1.433 -1.32 0 C-N-CA 123.781 0.832 . . . . 0.0 109.227 178.562 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.66 -45.09 95.53 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 -179.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.439 HD21 ' N ' ' A' ' 7' ' ' TYR . 14.3 mt -57.32 -60.47 3.58 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-O 118.891 -0.576 . . . . 0.0 109.708 178.541 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.94 -42.43 72.3 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.31 -177.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -54.45 -52.47 61.75 Favored 'General case' 0 C--N 1.34 0.164 0 N-CA-C 108.469 -0.938 . . . . 0.0 108.469 178.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -58.95 -62.03 2.19 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 178.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.5 mtp -48.73 -34.67 12.52 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 113.839 1.051 . . . . 0.0 113.839 -179.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.9 t -57.8 -30.86 66.04 Favored 'General case' 0 CA--C 1.534 0.362 0 O-C-N 121.48 -0.762 . . . . 0.0 110.02 179.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -117.71 42.94 2.5 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.468 1.907 . . . . 0.0 107.589 176.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.211 0 C-N-CA 127.739 2.415 . . . . 0.0 112.302 -178.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 56.2 t0 . . . . . 0 CA--C 1.514 -0.433 1 N-CA-C 98.406 -4.664 . . . . 0.0 98.406 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 85.41 95.52 0.75 Allowed Glycine 0 N--CA 1.421 -2.337 1 N-CA-C 95.558 -7.017 . . . . 0.0 95.558 -162.32 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 99.95 -30.8 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 128.504 2.722 . . . . 0.0 109.173 -174.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -86.15 -36.55 19.47 Favored 'General case' 0 C--N 1.351 0.632 0 CA-C-N 120.525 1.512 . . . . 0.0 108.916 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.41 ' CB ' HD21 ' A' ' 72' ' ' LEU . 62.9 mt -74.86 -37.9 62.09 Favored 'General case' 0 N--CA 1.442 -0.847 0 C-N-CA 118.606 -1.238 . . . . 0.0 108.983 -178.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -62.09 -18.29 60.29 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 -177.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? -51.74 -38.67 56.3 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 119.399 0.999 . . . . 0.0 111.289 178.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.1 p -66.72 -29.24 69.17 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.7 m -83.9 -35.09 24.35 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 126.841 2.057 . . . . 0.0 109.937 -175.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -48.55 -31.87 3.8 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 C-N-CA 125.038 1.335 . . . . 0.0 110.253 178.638 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -52.48 -40.87 55.09 Favored Glycine 0 CA--C 1.534 1.281 0 CA-C-O 119.616 -0.547 . . . . 0.0 112.233 178.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 12.8 m -98.36 -47.3 5.47 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 117.898 0.849 . . . . 0.0 110.687 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -74.13 -22.07 59.61 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 114.727 1.38 . . . . 0.0 114.727 -175.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.98 151.61 10.57 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.99 64.32 5.7 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 106.346 -1.724 . . . . 0.0 106.346 176.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.1 p30 179.6 -16.81 0.0 OUTLIER 'General case' 0 N--CA 1.437 -1.105 0 C-N-CA 130.098 3.359 . . . . 0.0 111.958 -174.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 56.56 19.4 26.98 Favored Glycine 0 C--N 1.342 0.908 0 CA-C-N 119.367 0.985 . . . . 0.0 113.694 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.3 m -104.73 -19.48 13.92 Favored 'General case' 0 N--CA 1.445 -0.695 0 C-N-CA 125.671 1.588 . . . . 0.0 109.971 -178.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -67.49 112.17 4.52 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 105.864 -1.902 . . . . 0.0 105.864 177.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.62 86.09 0.2 Allowed 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 -179.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -43.53 130.25 5.19 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 125.27 1.428 . . . . 0.0 113.572 -176.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 24.8 mmt 24.28 -79.7 0.0 OUTLIER 'General case' 0 C--N 1.342 0.275 0 C-N-CA 130.867 3.667 . . . . 0.0 114.871 179.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -52.91 -40.42 57.62 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 111.56 -0.616 . . . . 0.0 111.56 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 71.0 m 126.78 62.85 0.0 OUTLIER 'General case' 0 C--O 1.232 0.163 0 C-N-CA 131.7 4.0 . . . . 0.0 107.633 179.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.19 128.41 33.79 Favored 'General case' 0 C--N 1.345 0.388 0 C-N-CA 119.323 -0.951 . . . . 0.0 112.551 179.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.4 mmtm -64.64 120.61 67.32 Favored Pre-proline 0 N--CA 1.45 -0.435 0 N-CA-C 103.799 -2.667 . . . . 0.0 103.799 176.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 0.5 OUTLIER -19.5 97.92 0.01 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.698 1 C-N-CA 126.22 4.613 . . . . 0.0 115.1 -175.895 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.6 t -56.93 -30.22 33.0 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 N-CA-C 107.57 -1.271 . . . . 0.0 107.57 178.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -42.88 90.86 0.0 OUTLIER 'General case' 0 C--N 1.344 0.351 0 C-N-CA 126.688 1.995 . . . . 0.0 113.792 177.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 68.58 42.3 81.25 Favored Glycine 0 N--CA 1.443 -0.846 0 CA-C-N 113.327 -1.76 . . . . 0.0 110.258 177.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.475 ' HB2' HD21 ' A' ' 37' ' ' LEU . 1.6 mt-30 -52.71 -41.46 63.96 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 178.51 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -173.67 -108.36 0.21 Allowed Glycine 0 CA--C 1.534 1.234 0 C-N-CA 127.317 2.389 . . . . 0.0 108.181 173.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 173.9 -57.87 0.01 OUTLIER 'General case' 0 CA--C 1.515 -0.369 0 C-N-CA 131.391 3.876 . . . . 0.0 101.806 176.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.1 tp10 -64.4 -42.13 96.27 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 105.797 -1.927 . . . . 0.0 105.797 173.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -57.58 -65.75 0.58 Allowed 'General case' 0 C--N 1.344 0.331 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 177.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.475 HD21 ' HB2' ' A' ' 32' ' ' GLN . 29.1 mt -44.51 -47.51 10.12 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.692 1.597 . . . . 0.0 110.946 179.048 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -62.79 -53.7 50.34 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 124.171 0.988 . . . . 0.0 111.395 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -58.24 -40.33 81.48 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 -179.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 65.3 mmtt -63.12 -52.8 61.13 Favored 'General case' 0 N--CA 1.441 -0.905 0 C-N-CA 123.767 0.827 . . . . 0.0 109.37 -179.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 66.2 mtm -64.72 -36.64 84.95 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-O 118.263 -0.875 . . . . 0.0 111.029 178.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -60.29 -43.67 96.07 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 106.638 -1.615 . . . . 0.0 106.638 177.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -55.21 -53.4 40.86 Favored Glycine 0 CA--C 1.528 0.902 0 N-CA-C 110.191 -1.164 . . . . 0.0 110.191 176.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -61.17 -46.83 88.9 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 118.515 1.157 . . . . 0.0 110.031 179.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.24 -43.49 61.5 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 125.678 1.591 . . . . 0.0 109.712 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -93.47 7.89 42.79 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.893 0.877 . . . . 0.0 112.101 -178.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 53.82 32.08 47.46 Favored Glycine 0 CA--C 1.532 1.151 0 C-N-CA 124.304 0.954 . . . . 0.0 112.474 -178.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.2 t -118.3 33.86 5.45 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.613 1.565 . . . . 0.0 111.458 -178.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 35.9 t80 . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 106.618 -1.623 . . . . 0.0 106.618 179.768 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.225 -0.236 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.42 -54.08 48.22 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 118.267 0.485 . . . . 0.0 109.986 -179.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 26.6 mmt -59.17 -48.41 81.7 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 108.534 -0.914 . . . . 0.0 108.534 179.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 22.4 mmm -55.74 -51.23 68.07 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 120.971 0.415 . . . . 0.0 111.103 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 89.5 m -56.9 -49.7 74.76 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 178.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -56.95 -35.68 69.38 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 118.444 0.565 . . . . 0.0 110.301 178.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.55 -38.75 77.58 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 118.152 -0.928 . . . . 0.0 112.878 -178.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.9 m -98.13 -35.0 4.88 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-N 119.5 1.046 . . . . 0.0 113.535 -176.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 41.1 tttp -68.06 70.93 0.16 Allowed 'General case' 0 C--N 1.341 0.239 0 C-N-CA 126.342 1.857 . . . . 0.0 110.887 -176.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -169.56 -34.71 0.02 OUTLIER 'General case' 0 N--CA 1.44 -0.938 0 C-N-CA 129.399 3.08 . . . . 0.0 107.841 -179.132 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -78.86 171.38 15.26 Favored 'General case' 0 N--CA 1.433 -1.304 0 CA-C-O 122.93 1.348 . . . . 0.0 108.648 178.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 99.0 p -108.77 166.48 10.77 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 128.045 2.538 . . . . 0.0 109.706 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -48.81 -48.23 41.6 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.395 0.678 . . . . 0.0 111.932 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -58.34 -52.43 65.64 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.071 0.548 . . . . 0.0 109.809 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -59.11 -42.2 89.95 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 123.242 0.617 . . . . 0.0 110.613 179.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 40.7 mt -60.28 -46.88 88.28 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 177.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.6 tmtt? -59.76 -43.45 94.32 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 178.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.88 -48.2 82.24 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.72 0.808 . . . . 0.0 109.467 179.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' A' ' 72' ' ' LEU . 13.1 mt -57.93 -52.27 66.17 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-O 119.32 -0.372 . . . . 0.0 110.862 178.718 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.23 -48.12 82.79 Favored 'General case' 0 N--CA 1.454 -0.273 0 O-C-N 123.121 0.263 . . . . 0.0 110.422 -177.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -53.67 -44.77 69.95 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 177.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -64.95 -53.87 39.59 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 120.105 -0.638 . . . . 0.0 109.645 178.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 53.4 mtm -48.34 -38.89 20.33 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 119.405 1.002 . . . . 0.0 111.481 176.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.9 t -54.75 -30.11 55.54 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.231 -0.918 . . . . 0.0 110.676 177.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -99.75 32.36 2.89 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 126.38 1.872 . . . . 0.0 111.997 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 25.1 mt . . . . . 0 C--O 1.249 1.067 0 CA-C-O 117.717 -1.135 . . . . 0.0 108.513 174.284 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.427 ' HB3' ' HB3' ' A' ' 5' ' ' ALA . 12.3 t70 . . . . . 0 CA--C 1.529 0.162 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.3 -54.64 35.53 Favored Glycine 0 CA--C 1.527 0.838 0 N-CA-C 111.802 -0.519 . . . . 0.0 111.802 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.66 -46.98 74.1 Favored 'General case' 0 N--CA 1.457 -0.108 0 CA-C-N 117.633 0.716 . . . . 0.0 111.176 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.427 ' HB3' ' HB3' ' A' ' 2' ' ' ASP . . . -61.95 -52.36 64.35 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 -179.721 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 70.8 mt -53.09 -48.45 67.76 Favored 'General case' 0 N--CA 1.441 -0.913 0 CA-C-N 118.284 0.493 . . . . 0.0 110.584 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -60.63 -17.42 47.08 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 -177.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -56.83 -35.0 68.31 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 119.904 1.229 . . . . 0.0 109.567 177.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.45 -7.0 21.93 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.526 1.131 . . . . 0.0 112.799 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.5 m -115.23 -36.62 4.3 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 127.563 2.345 . . . . 0.0 110.739 -175.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.2 tp -46.5 -31.39 1.46 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 C-N-CA 125.786 1.634 . . . . 0.0 111.405 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -53.0 -42.45 60.79 Favored Glycine 0 CA--C 1.535 1.285 0 N-CA-C 111.58 -0.608 . . . . 0.0 111.58 177.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.0 m -92.56 -46.0 7.83 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 117.491 0.646 . . . . 0.0 110.05 178.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.497 ' CE1' HG21 ' A' ' 29' ' ' VAL . 86.1 m-70 -69.65 -21.59 63.53 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 115.64 1.719 . . . . 0.0 115.64 -175.39 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.57 149.2 11.76 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 109.501 -1.439 . . . . 0.0 109.501 -178.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.84 67.24 2.86 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 121.876 0.846 . . . . 0.0 110.046 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.6 p30 169.39 -10.34 0.0 OUTLIER 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 131.178 3.791 . . . . 0.0 112.802 -178.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 55.22 22.82 30.93 Favored Glycine 0 CA--C 1.53 0.987 0 CA-C-N 119.75 1.159 . . . . 0.0 111.859 -177.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.0 m -110.36 -24.48 10.61 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 125.783 1.633 . . . . 0.0 110.346 -178.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -78.32 70.76 4.72 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 179.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -11.55 93.23 0.01 OUTLIER 'General case' 0 C--N 1.342 0.275 0 C-N-CA 129.281 3.032 . . . . 0.0 111.925 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -43.51 132.52 4.7 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 114.311 1.226 . . . . 0.0 114.311 -175.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 26.3 mmt 16.99 -77.04 0.0 OUTLIER 'General case' 0 C--N 1.343 0.305 0 C-N-CA 130.272 3.429 . . . . 0.0 113.527 179.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.1 40.94 1.25 Allowed Glycine 0 CA--C 1.533 1.184 0 CA-C-N 118.722 0.692 . . . . 0.0 112.334 178.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.6 m 49.96 54.5 10.96 Favored 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 126.731 2.012 . . . . 0.0 111.541 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.29 140.8 43.77 Favored 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -59.35 119.37 38.7 Favored Pre-proline 0 N--CA 1.452 -0.374 0 N-CA-C 103.567 -2.753 . . . . 0.0 103.567 175.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_exo -29.47 102.05 0.02 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 124.8 3.666 . . . . 0.0 113.456 -177.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.497 HG21 ' CE1' ' A' ' 14' ' ' HIS . 61.8 t -57.03 -29.47 31.56 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 51.5 tptt -40.68 91.79 0.0 OUTLIER 'General case' 0 C--N 1.341 0.207 0 C-N-CA 128.368 2.667 . . . . 0.0 113.122 175.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 64.05 44.08 96.37 Favored Glycine 0 N--CA 1.444 -0.81 0 CA-C-N 112.137 -2.301 . . . . 0.0 109.892 178.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -53.9 -42.36 68.61 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 179.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.32 -109.01 0.24 Allowed Glycine 0 CA--C 1.531 1.088 0 C-N-CA 127.734 2.588 . . . . 0.0 107.563 173.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 178.71 -60.26 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 130.555 3.542 . . . . 0.0 101.949 176.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.4 tp10 -63.82 -39.54 94.47 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 105.552 -2.018 . . . . 0.0 105.552 173.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -57.18 -64.36 0.91 Allowed 'General case' 0 C--N 1.343 0.318 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 177.156 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 17.1 mt -47.53 -44.56 25.87 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.245 1.418 . . . . 0.0 111.128 179.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -65.84 -50.33 64.96 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 123.127 0.571 . . . . 0.0 111.101 179.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -58.5 -41.1 84.6 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.542 0.737 . . . . 0.0 109.128 179.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -62.22 -53.82 49.77 Favored 'General case' 0 N--CA 1.439 -0.997 0 C-N-CA 123.994 0.918 . . . . 0.0 109.072 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 56.7 mtm -60.1 -50.12 74.97 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-O 117.898 -1.049 . . . . 0.0 110.021 178.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -51.72 -42.17 62.07 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 119.772 1.169 . . . . 0.0 108.625 178.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -53.11 -48.68 58.22 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 110.172 -1.171 . . . . 0.0 110.172 176.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -70.32 -54.48 12.41 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 120.747 -1.443 . . . . 0.0 109.231 178.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -38.38 -56.73 1.21 Allowed 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 129.289 3.036 . . . . 0.0 111.42 -178.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -146.57 29.67 1.02 Allowed 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 113.45 0.908 . . . . 0.0 113.45 -175.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -145.84 21.4 1.8 Allowed Glycine 0 CA--C 1.529 0.909 0 CA-C-N 120.435 1.471 . . . . 0.0 113.924 -179.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 24.2 t 39.82 43.42 1.19 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 127.566 2.346 . . . . 0.0 112.89 179.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 27.4 t80 . . . . . 0 CA--C 1.533 0.323 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 175.883 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.3 pttt . . . . . 0 N--CA 1.455 -0.225 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.46 -50.94 65.51 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.447 0.699 . . . . 0.0 110.716 -178.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -59.43 -44.15 92.96 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 179.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 27.2 mmm -57.91 -58.98 6.02 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.839 178.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 64.1 m -51.43 -41.36 60.75 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 123.703 0.801 . . . . 0.0 110.135 177.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -62.63 -48.8 77.79 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 119.801 1.182 . . . . 0.0 110.186 178.056 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.09 -34.73 75.4 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 123.979 0.912 . . . . 0.0 112.471 -179.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 61.1 t -88.69 -50.83 13.08 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 C-N-CA 125.805 1.642 . . . . 0.0 114.625 -175.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 34.3 ttmt -54.85 -27.51 42.92 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.456 1.103 . . . . 0.0 112.599 -177.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.0 ptpp? -66.94 -19.74 65.78 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 118.545 0.611 . . . . 0.0 111.091 177.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -96.71 -176.99 3.76 Favored 'General case' 0 N--CA 1.438 -1.04 0 C-N-CA 125.048 1.339 . . . . 0.0 108.884 178.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.3 t -132.54 167.98 19.04 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 125.839 1.656 . . . . 0.0 109.812 178.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.8 p-10 -35.96 -51.22 0.71 Allowed 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 127.202 2.201 . . . . 0.0 113.264 -179.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -60.59 -54.25 47.72 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.127 0.571 . . . . 0.0 109.796 -178.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.3 mp0 -55.99 -46.94 78.52 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.325 0.65 . . . . 0.0 109.626 178.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.4 mt -60.55 -47.47 86.05 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 117.861 0.3 . . . . 0.0 110.761 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -63.27 -40.21 96.75 Favored 'General case' 0 N--CA 1.452 -0.334 0 O-C-N 121.937 -0.477 . . . . 0.0 110.125 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.07 -44.51 84.27 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.9 mt -56.94 -59.56 4.87 Favored 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 178.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -50.77 -50.23 56.41 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 123.596 0.56 . . . . 0.0 110.588 -178.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -53.11 -45.18 68.15 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 176.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 47.1 t80 -65.17 -53.48 44.28 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 118.074 -0.965 . . . . 0.0 109.641 177.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.8 mpp? -48.66 -36.08 15.22 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 120.454 1.479 . . . . 0.0 111.722 177.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.7 t -54.93 -31.05 59.97 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 121.233 -0.917 . . . . 0.0 110.546 177.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 38.0 mmtm -96.71 29.44 2.99 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.061 1.744 . . . . 0.0 111.864 179.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 27.8 mt . . . . . 0 C--O 1.25 1.104 0 CA-C-O 117.128 -1.415 . . . . 0.0 108.589 174.635 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -47.19 -49.79 18.12 Favored Glycine 0 CA--C 1.528 0.894 0 C-N-CA 123.285 0.469 . . . . 0.0 112.102 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.22 -28.94 44.37 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.437 0.695 . . . . 0.0 112.614 179.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.04 -22.73 42.02 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-O 119.199 -0.429 . . . . 0.0 110.383 -178.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.438 ' CB ' HD13 ' A' ' 72' ' ' LEU . 7.2 mt -90.5 -29.32 17.98 Favored 'General case' 0 N--CA 1.438 -1.067 0 N-CA-C 106.042 -1.836 . . . . 0.0 106.042 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.444 ' CE1' ' SD ' ' A' ' 76' ' ' MET . 0.8 OUTLIER -69.87 -12.99 62.04 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 178.486 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -51.99 -43.89 63.82 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 121.139 -0.976 . . . . 0.0 111.21 179.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.02 -5.85 7.28 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.08 1.352 . . . . 0.0 113.428 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.2 m -113.27 -37.76 4.62 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 127.546 2.338 . . . . 0.0 110.862 -174.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -46.49 -27.84 0.85 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 C-N-CA 125.826 1.65 . . . . 0.0 110.631 178.042 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -56.21 -48.49 74.22 Favored Glycine 0 CA--C 1.538 1.515 0 O-C-N 121.263 -0.898 . . . . 0.0 111.545 176.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.8 m -88.54 -39.92 13.79 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 117.854 0.827 . . . . 0.0 110.761 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -80.41 -19.26 46.6 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 -176.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 86.54 157.46 30.19 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.353 -1.099 . . . . 0.0 110.353 -178.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -30.94 -58.73 0.22 Allowed 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 127.06 2.144 . . . . 0.0 113.9 -178.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -112.41 35.7 3.7 Favored 'General case' 0 N--CA 1.442 -0.855 0 C-N-CA 125.813 1.645 . . . . 0.0 111.836 -179.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 56.56 24.94 49.04 Favored Glycine 0 CA--C 1.532 1.094 0 N-CA-C 116.763 1.465 . . . . 0.0 116.763 177.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 59.3 m -80.18 -27.77 38.86 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 118.206 1.003 . . . . 0.0 113.57 -178.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt -71.09 134.92 47.42 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 119.259 0.936 . . . . 0.0 110.694 -178.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.71 75.91 2.69 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 105.83 -1.915 . . . . 0.0 105.83 176.157 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -29.27 120.86 0.14 Allowed 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 126.741 2.016 . . . . 0.0 114.913 -175.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 90.9 mmm 16.83 -67.8 0.0 OUTLIER 'General case' 0 C--N 1.345 0.393 1 C-N-CA 132.587 4.355 . . . . 0.0 115.615 179.182 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -52.54 -28.82 30.26 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 123.387 0.517 . . . . 0.0 111.942 178.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 33.5 m 111.03 56.92 0.0 OUTLIER 'General case' 0 CA--C 1.523 -0.07 0 C-N-CA 131.62 3.968 . . . . 0.0 106.227 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.03 148.05 50.64 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 114.028 1.121 . . . . 0.0 114.028 -177.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.11 120.2 72.74 Favored Pre-proline 0 N--CA 1.451 -0.411 0 N-CA-C 101.583 -3.488 . . . . 0.0 101.583 173.087 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_exo -30.81 108.17 0.04 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 124.369 3.379 . . . . 0.0 112.672 -177.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 41.3 t -55.81 -32.96 33.31 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 -179.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.433 ' HA ' HD23 ' A' ' 79' ' ' LEU . 51.9 tttp -56.73 97.4 0.02 OUTLIER 'General case' 0 C--N 1.343 0.312 0 CA-C-O 122.423 1.106 . . . . 0.0 111.396 177.492 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 114.57 -3.86 23.2 Favored Glycine 0 C--N 1.32 -0.345 0 CA-C-N 114.295 -1.321 . . . . 0.0 113.03 177.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -63.42 147.09 52.19 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 106.556 -1.646 . . . . 0.0 106.556 177.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -77.31 141.28 25.67 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 120.755 -1.215 . . . . 0.0 114.186 -174.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.78 -48.68 10.91 Favored 'General case' 0 C--N 1.341 0.231 0 CA-C-N 119.605 1.703 . . . . 0.0 112.169 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.3 tp10 -60.9 -43.41 98.58 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -60.59 -60.23 4.14 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 124.568 1.147 . . . . 0.0 108.348 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 40.0 mt -47.97 -50.7 26.43 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 127.025 2.13 . . . . 0.0 109.592 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -64.99 -52.21 57.46 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 123.498 0.719 . . . . 0.0 112.288 -179.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -58.14 -40.79 82.25 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-O 121.565 0.698 . . . . 0.0 109.421 -178.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -68.77 -47.03 67.23 Favored 'General case' 0 N--CA 1.438 -1.036 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.434 -178.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 55.7 mtm -64.69 -35.1 79.94 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.001 178.331 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -60.95 -44.72 96.88 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 106.422 -1.696 . . . . 0.0 106.422 176.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -55.72 -53.27 42.84 Favored Glycine 0 CA--C 1.529 0.937 0 CA-C-O 119.087 -0.84 . . . . 0.0 111.278 177.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.401 ' CZ ' ' CE2' ' A' ' 49' ' ' TYR . 25.0 m-85 -62.13 -47.83 82.83 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 118.722 1.261 . . . . 0.0 109.548 179.661 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.32 -45.6 54.89 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 125.653 1.581 . . . . 0.0 109.858 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -90.5 6.56 42.98 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.634 0.774 . . . . 0.0 112.258 -178.254 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 54.63 32.96 54.35 Favored Glycine 0 CA--C 1.532 1.114 0 CA-C-N 118.976 0.807 . . . . 0.0 112.249 -178.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.6 t -111.73 17.96 19.39 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.234 1.414 . . . . 0.0 111.716 -178.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.401 ' CE2' ' CZ ' ' A' ' 44' ' ' TYR . 8.7 t80 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 105.58 -2.008 . . . . 0.0 105.58 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.418 ' HA ' ' HB2' ' A' ' 57' ' ' MET . 28.8 mtmt . . . . . 0 N--CA 1.432 -1.336 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.97 -48.42 45.21 Favored 'General case' 0 C--O 1.232 0.165 0 N-CA-C 106.592 -1.632 . . . . 0.0 106.592 176.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.5 mpp? -55.42 -46.84 76.65 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 177.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.418 ' HB2' ' HA ' ' A' ' 54' ' ' LYS . 38.5 mmm -52.91 -57.36 10.54 Favored 'General case' 0 CA--C 1.517 -0.325 0 C-N-CA 124.23 1.012 . . . . 0.0 110.556 178.166 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 97.6 m -48.89 -53.78 18.1 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 179.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -56.74 -36.33 69.63 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 122.714 0.406 . . . . 0.0 111.192 178.048 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.35 -43.76 63.59 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 123.853 0.861 . . . . 0.0 112.863 -177.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.2 m -91.12 -26.79 5.04 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 CA-C-N 119.051 0.841 . . . . 0.0 111.814 -175.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -54.16 -27.33 32.99 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 119.256 0.934 . . . . 0.0 112.386 -177.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -77.61 -1.67 32.03 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 118.927 -0.559 . . . . 0.0 112.22 178.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 18.0 m-30 -110.07 149.13 30.46 Favored 'General case' 0 N--CA 1.442 -0.856 0 C-N-CA 126.289 1.836 . . . . 0.0 107.061 178.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 92.0 p -97.96 167.18 11.06 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 126.858 2.063 . . . . 0.0 110.286 -179.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -45.08 -48.1 11.92 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.196 0.998 . . . . 0.0 113.125 -179.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -60.27 -49.36 77.93 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 121.149 0.5 . . . . 0.0 110.085 -179.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -60.31 -50.97 71.51 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 46.6 mt -54.47 -49.33 70.33 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 124.398 1.079 . . . . 0.0 110.587 179.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -57.84 -45.88 85.58 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.07 -44.55 95.47 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 179.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' A' ' 72' ' ' LEU . 12.0 tp -56.8 -51.24 69.7 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 123.76 0.824 . . . . 0.0 109.504 -179.561 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.11 -45.31 89.21 Favored 'General case' 0 C--O 1.226 -0.159 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -50.97 -46.25 61.13 Favored 'General case' 0 C--N 1.34 0.182 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 178.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -63.2 -62.63 1.56 Allowed 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 177.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.48 ' HA ' HD22 ' A' ' 79' ' ' LEU . 70.6 mtm -48.47 -30.17 4.87 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.1 t -59.71 -34.44 72.92 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 121.792 -0.567 . . . . 0.0 110.439 -179.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.4 pttm -97.13 -35.52 10.77 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 176.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.48 HD22 ' HA ' ' A' ' 76' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.134 0 C-N-CA 128.54 2.736 . . . . 0.0 110.929 178.555 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 . . . . . 0 CA--C 1.534 0.362 0 N-CA-C 106.562 -1.644 . . . . 0.0 106.562 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 75.61 78.12 0.68 Allowed Glycine 0 N--CA 1.441 -0.998 1 N-CA-C 101.116 -4.793 . . . . 0.0 101.116 -171.253 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 122.5 -38.58 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 130.615 3.566 . . . . 0.0 107.565 -174.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -84.79 -22.45 29.56 Favored 'General case' 0 C--N 1.346 0.45 0 C-N-CA 119.204 -0.998 . . . . 0.0 109.882 -177.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.438 ' C ' HD21 ' A' ' 72' ' ' LEU . 32.7 mt -83.29 -31.71 26.76 Favored 'General case' 0 N--CA 1.44 -0.953 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -179.403 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.481 ' HD1' HD22 ' A' ' 72' ' ' LEU . 1.8 t80 -79.82 -12.93 59.74 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 115.344 1.609 . . . . 0.0 115.344 -178.369 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -46.38 -40.41 11.97 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -177.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.3 p -70.57 -42.14 71.47 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 122.042 0.925 . . . . 0.0 111.8 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.8 m -62.74 -36.3 82.57 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 126.692 1.997 . . . . 0.0 108.937 -176.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -48.74 -30.97 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.591 0 CA-C-N 114.449 -1.25 . . . . 0.0 110.387 178.248 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -58.81 -37.05 89.69 Favored Glycine 0 CA--C 1.532 1.154 0 CA-C-O 119.43 -0.65 . . . . 0.0 113.102 179.303 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.9 t -96.33 -40.84 8.93 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 118.337 1.068 . . . . 0.0 110.893 -178.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.429 ' CE1' HG21 ' A' ' 29' ' ' VAL . 81.5 m-70 -80.09 -17.96 51.24 Favored 'General case' 0 N--CA 1.432 -1.37 0 C-N-CA 126.474 1.91 . . . . 0.0 114.562 -176.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.78 156.75 21.17 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.095 -1.202 . . . . 0.0 110.095 -179.217 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.25 -51.21 6.28 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.878 1.271 . . . . 0.0 112.432 -179.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -93.61 10.01 34.47 Favored 'General case' 0 N--CA 1.441 -0.895 0 C-N-CA 126.139 1.776 . . . . 0.0 113.892 -178.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 68.96 7.77 56.79 Favored Glycine 0 CA--C 1.529 0.928 0 CA-C-O 118.592 -1.115 . . . . 0.0 115.041 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.6 m -90.52 -11.2 40.89 Favored 'General case' 0 C--N 1.339 0.116 0 CA-C-N 118.902 1.351 . . . . 0.0 112.645 -178.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -71.87 118.68 15.02 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 106.154 -1.795 . . . . 0.0 106.154 179.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.98 84.03 0.32 Allowed 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 179.097 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.46 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -32.39 125.07 0.31 Allowed 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 128.587 2.755 . . . . 0.0 110.781 178.693 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 87.8 mmm 5.9 -70.98 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 129.732 3.213 . . . . 0.0 114.724 -177.277 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.74 41.98 0.86 Allowed Glycine 0 CA--C 1.537 1.461 0 CA-C-N 118.792 0.723 . . . . 0.0 112.638 178.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 34.8 m 50.24 55.67 9.1 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 127.246 2.219 . . . . 0.0 111.994 179.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.46 ' HB2' ' HB3' ' A' ' 22' ' ' ALA . . . -61.79 148.76 42.07 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 117.161 -1.816 . . . . 0.0 112.418 178.738 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.73 153.54 93.25 Favored Pre-proline 0 N--CA 1.445 -0.705 0 N-CA-C 103.494 -2.78 . . . . 0.0 103.494 174.173 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -52.69 114.69 1.81 Allowed 'Trans proline' 0 N--CA 1.454 -0.851 0 C-N-CA 121.438 1.425 . . . . 0.0 108.93 -179.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.429 HG21 ' CE1' ' A' ' 14' ' ' HIS . 52.1 t -66.36 -25.11 34.6 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 N-CA-C 107.888 -1.152 . . . . 0.0 107.888 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 51.0 tttp -43.7 86.23 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 127.451 2.3 . . . . 0.0 114.285 177.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 73.66 44.18 33.26 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-N 113.317 -1.765 . . . . 0.0 110.572 178.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.498 ' HB2' HD21 ' A' ' 37' ' ' LEU . 2.0 tt0 -51.22 -41.91 60.61 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 179.424 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -179.32 -107.25 0.21 Allowed Glycine 0 CA--C 1.534 1.224 0 C-N-CA 127.862 2.648 . . . . 0.0 108.133 172.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 172.46 -58.75 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 130.929 3.692 . . . . 0.0 102.322 176.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -63.57 -42.53 98.31 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 105.374 -2.084 . . . . 0.0 105.374 172.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -55.03 -67.0 0.31 Allowed 'General case' 0 C--N 1.342 0.281 0 C-N-CA 124.895 1.278 . . . . 0.0 108.529 177.268 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.498 HD21 ' HB2' ' A' ' 32' ' ' GLN . 39.0 mt -44.7 -49.2 10.58 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 126.154 1.781 . . . . 0.0 110.725 179.336 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -63.76 -52.27 61.14 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 123.639 0.776 . . . . 0.0 112.101 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -58.34 -41.48 84.71 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 -178.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -66.48 -49.68 65.8 Favored 'General case' 0 N--CA 1.438 -1.043 0 C-N-CA 123.382 0.673 . . . . 0.0 110.669 -178.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 61.3 mtm -64.1 -39.83 94.9 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-O 118.163 -0.922 . . . . 0.0 110.161 178.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -58.9 -43.19 90.97 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 106.76 -1.57 . . . . 0.0 106.76 176.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.01 -55.97 18.74 Favored Glycine 0 CA--C 1.528 0.856 0 N-CA-C 109.775 -1.33 . . . . 0.0 109.775 176.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -63.66 -47.03 82.91 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 118.683 1.241 . . . . 0.0 110.856 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -46.41 -50.47 16.64 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 126.177 1.791 . . . . 0.0 109.694 -179.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -92.05 14.02 17.12 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.631 1.173 . . . . 0.0 112.745 -178.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 52.17 33.52 38.13 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 124.6 1.095 . . . . 0.0 113.53 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.0 t -115.32 29.42 8.02 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.95 1.7 . . . . 0.0 111.641 -178.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 56.4 t80 . . . . . 0 C--O 1.232 0.134 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 178.81 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.168 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.76 -58.24 8.15 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 118.633 0.651 . . . . 0.0 109.744 -178.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.15 -48.64 78.21 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 178.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.2 mmm -54.36 -50.51 67.28 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 81.7 m -58.01 -48.87 78.75 Favored 'General case' 0 N--CA 1.452 -0.343 0 O-C-N 121.424 -0.797 . . . . 0.0 109.218 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -58.31 -37.09 74.37 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 178.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.19 -46.17 85.11 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 123.764 0.826 . . . . 0.0 112.219 -179.175 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.4 m -96.53 -26.2 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -174.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -57.66 -24.15 55.11 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 119.849 1.204 . . . . 0.0 112.314 -176.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.9 pttp -74.74 -2.17 25.24 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 119.089 -0.481 . . . . 0.0 111.508 177.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.416 ' CE2' HD11 ' A' ' 72' ' ' LEU . 17.6 m-85 -113.23 147.84 36.71 Favored 'General case' 0 N--CA 1.439 -1.002 0 C-N-CA 126.299 1.839 . . . . 0.0 108.311 179.107 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 91.2 p -97.92 167.31 10.99 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 127.558 2.343 . . . . 0.0 110.193 -179.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -40.69 -50.41 3.08 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.723 1.209 . . . . 0.0 113.485 -179.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -63.0 -47.2 84.17 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 121.055 0.455 . . . . 0.0 110.618 -178.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -61.28 -44.82 96.59 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 45.5 mt -59.83 -45.76 91.36 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.638 0.775 . . . . 0.0 109.411 178.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -60.57 -45.01 95.53 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.689 -0.632 . . . . 0.0 109.599 178.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.01 -45.32 95.31 Favored 'General case' 0 CA--C 1.521 -0.152 0 C-N-CA 123.497 0.719 . . . . 0.0 109.171 179.197 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.481 HD22 ' HD1' ' A' ' 7' ' ' TYR . 12.5 mt -58.94 -51.62 69.26 Favored 'General case' 0 N--CA 1.442 -0.845 0 O-C-N 122.303 -0.248 . . . . 0.0 111.039 178.643 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.0 -48.7 80.63 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 -178.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -53.06 -45.64 68.18 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 176.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 55.0 t80 -60.35 -59.85 4.75 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 178.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 56.7 mtm -49.34 -32.72 11.83 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.417 0.687 . . . . 0.0 112.543 177.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.1 t -56.96 -34.02 67.63 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 121.255 -0.903 . . . . 0.0 110.508 177.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? -113.59 44.78 1.53 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.11 1.364 . . . . 0.0 108.71 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 27.2 tp . . . . . 0 C--O 1.25 1.089 0 C-N-CA 125.19 1.396 . . . . 0.0 110.524 178.566 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.4 t70 . . . . . 0 CA--C 1.529 0.167 0 CA-C-O 120.598 0.237 . . . . 0.0 111.236 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.52 -60.45 7.81 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 109.899 -1.281 . . . . 0.0 109.899 179.22 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -48.0 -46.78 33.23 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 117.522 0.661 . . . . 0.0 111.274 -179.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.53 -38.62 69.49 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-O 119.47 -0.3 . . . . 0.0 111.803 -179.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.426 ' HB2' HD21 ' A' ' 72' ' ' LEU . 67.5 mt -75.69 -50.99 13.74 Favored 'General case' 0 N--CA 1.435 -1.203 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 178.732 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.435 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 2.6 t80 -57.12 -22.6 41.12 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 -178.066 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -49.21 -34.86 15.73 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 119.232 0.924 . . . . 0.0 111.34 177.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.5 p -66.75 -34.48 77.92 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 121.453 -0.779 . . . . 0.0 112.518 179.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.435 ' SG ' ' HA ' ' A' ' 7' ' ' TYR . 3.7 m -76.87 -35.64 57.3 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 127.619 2.368 . . . . 0.0 109.875 -175.147 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -45.44 -32.37 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 C-N-CA 125.412 1.485 . . . . 0.0 111.397 179.475 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -53.93 -49.19 59.71 Favored Glycine 0 CA--C 1.533 1.159 0 N-CA-C 111.643 -0.583 . . . . 0.0 111.643 178.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.5 m -86.36 -42.64 13.5 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 117.585 0.692 . . . . 0.0 109.76 179.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.48 ' CE1' HG21 ' A' ' 29' ' ' VAL . 81.7 m-70 -66.92 -21.34 65.99 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -176.704 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 71.22 107.86 0.05 OUTLIER Glycine 0 CA--C 1.527 0.815 0 N-CA-C 115.795 1.078 . . . . 0.0 115.795 175.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 62.73 -65.0 0.1 Allowed 'General case' 0 C--N 1.342 0.27 0 C-N-CA 128.064 2.546 . . . . 0.0 111.74 177.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.6 p30 -127.3 -78.65 0.58 Allowed 'General case' 0 N--CA 1.421 -1.889 0 C-N-CA 129.442 3.097 . . . . 0.0 105.97 178.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -162.23 39.14 0.37 Allowed Glycine 0 CA--C 1.52 0.364 0 N-CA-C 107.364 -2.294 . . . . 0.0 107.364 178.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 79.2 p -86.74 -37.62 17.73 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.983 0.913 . . . . 0.0 112.288 -177.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -77.71 131.98 37.94 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 -179.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.09 78.22 1.73 Allowed 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 106.837 -1.542 . . . . 0.0 106.837 178.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -23.63 67.15 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 131.218 3.807 . . . . 0.0 120.457 -173.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 82.7 mmm 66.46 -54.15 0.42 Allowed 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 127.016 2.126 . . . . 0.0 112.327 176.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -92.06 35.72 3.91 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 109.607 -1.397 . . . . 0.0 109.607 177.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.0 m 52.5 49.85 19.53 Favored 'General case' 0 N--CA 1.445 -0.675 0 C-N-CA 124.775 1.23 . . . . 0.0 110.648 179.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.01 126.75 29.0 Favored 'General case' 0 C--N 1.345 0.385 0 C-N-CA 118.261 -1.376 . . . . 0.0 112.934 -178.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.71 126.22 82.31 Favored Pre-proline 0 CA--C 1.537 0.466 0 N-CA-C 102.884 -3.006 . . . . 0.0 102.884 174.166 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_endo -31.78 106.12 0.03 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 124.866 3.71 . . . . 0.0 114.014 -172.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.48 HG21 ' CE1' ' A' ' 14' ' ' HIS . 76.6 t -57.91 -30.27 37.89 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 178.048 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -47.14 89.67 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 127.021 2.128 . . . . 0.0 113.932 176.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 79.57 39.31 18.41 Favored Glycine 0 N--CA 1.444 -0.833 0 CA-C-N 112.083 -2.326 . . . . 0.0 111.296 177.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.417 ' HB2' HD21 ' A' ' 37' ' ' LEU . 5.2 mt-30 -57.43 -46.84 83.12 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 179.382 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 143.87 126.16 1.95 Allowed Glycine 0 C--O 1.213 -1.162 0 C-N-CA 127.044 2.259 . . . . 0.0 109.108 175.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.06 -51.16 18.26 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 122.077 2.938 . . . . 0.0 112.141 -178.009 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.3 tp10 -58.51 -45.86 87.92 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 179.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -56.8 -65.17 0.66 Allowed 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 124.832 1.253 . . . . 0.0 109.089 179.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.417 HD21 ' HB2' ' A' ' 32' ' ' GLN . 4.5 mt -51.47 -43.19 62.07 Favored 'General case' 0 N--CA 1.44 -0.927 0 C-N-CA 125.622 1.569 . . . . 0.0 111.096 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -67.11 -45.36 77.45 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 118.725 0.693 . . . . 0.0 110.873 -178.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -64.88 -41.88 95.26 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 -178.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -67.03 -50.38 62.21 Favored 'General case' 0 N--CA 1.441 -0.915 0 C-N-CA 123.323 0.649 . . . . 0.0 111.187 -178.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -65.27 -39.5 92.68 Favored 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 -179.243 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -60.64 -44.88 95.88 Favored 'General case' 0 C--N 1.34 0.16 0 N-CA-C 106.852 -1.536 . . . . 0.0 106.852 175.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -53.13 -50.18 52.8 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.362 -1.095 . . . . 0.0 110.362 177.102 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -64.94 -42.55 94.55 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 119.061 1.431 . . . . 0.0 109.672 178.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.88 -44.56 59.8 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.171 0.988 . . . . 0.0 109.824 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.6 p30 -99.03 10.94 40.44 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.45 0.7 . . . . 0.0 112.667 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.84 20.89 60.33 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 124.86 1.219 . . . . 0.0 115.578 179.301 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.4 t -104.89 36.47 2.44 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 119.616 1.708 . . . . 0.0 111.683 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 31.3 t80 . . . . . 0 CA--C 1.528 0.107 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 178.261 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt . . . . . 0 N--CA 1.439 -0.984 0 N-CA-C 112.659 0.614 . . . . 0.0 112.659 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.55 -53.64 39.24 Favored 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 123.258 0.623 . . . . 0.0 110.131 -179.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 89.2 mmm -57.49 -44.49 85.0 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 179.009 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.9 mmm -55.98 -61.0 2.67 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.676 178.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 85.9 m -48.11 -46.38 33.96 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.864 1.266 . . . . 0.0 109.513 177.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -43.28 88.73 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 118.339 0.518 . . . . 0.0 110.482 178.088 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.49 -31.06 66.7 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.0 0.52 . . . . 0.0 112.185 -178.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 53.3 t -89.95 -47.94 14.58 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 N-CA-C 116.88 2.178 . . . . 0.0 116.88 -174.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -48.42 -29.95 4.57 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 -174.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -65.59 -19.43 65.91 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -79.75 -169.81 2.12 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-O 123.961 1.839 . . . . 0.0 110.643 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 51.3 m -152.72 158.41 42.28 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 127.597 2.359 . . . . 0.0 107.575 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -34.04 -51.84 0.43 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 126.262 1.825 . . . . 0.0 114.244 -176.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.32 -52.14 66.92 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.231 0.539 . . . . 0.0 109.865 -179.5 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -58.25 -46.45 85.96 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 123.671 0.788 . . . . 0.0 109.375 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 48.2 mt -58.13 -48.0 81.56 Favored 'General case' 0 N--CA 1.457 -0.087 0 C-N-CA 122.698 0.399 . . . . 0.0 110.535 178.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -60.97 -44.03 97.92 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 122.911 0.485 . . . . 0.0 109.739 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.94 -44.24 93.43 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.463 HD23 ' HA ' ' A' ' 72' ' ' LEU . 11.4 mt -59.35 -60.81 3.26 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-O 118.499 -0.762 . . . . 0.0 109.485 178.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.39 -42.12 73.57 Favored 'General case' 0 C--O 1.226 -0.162 0 CA-C-N 118.751 0.705 . . . . 0.0 110.493 -178.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -53.59 -49.75 67.11 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 178.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -62.39 -58.74 6.57 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 177.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.9 mtp -50.13 -29.38 8.99 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 114.065 1.135 . . . . 0.0 114.065 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.1 t -65.06 -29.68 70.59 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 120.832 -1.168 . . . . 0.0 110.75 178.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.7 pttm -114.95 38.73 3.07 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.606 1.562 . . . . 0.0 109.81 178.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.4 tp . . . . . 0 C--O 1.249 1.078 0 C-N-CA 126.836 2.055 . . . . 0.0 111.048 179.97 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.5 t70 . . . . . 0 CA--C 1.532 0.284 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.18 -51.87 55.91 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.771 -0.932 . . . . 0.0 110.771 178.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.47 -44.52 69.02 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 118.209 1.004 . . . . 0.0 110.791 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.35 -50.49 71.39 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 119.624 -0.227 . . . . 0.0 110.615 179.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 46.5 mt -57.32 -45.39 84.29 Favored 'General case' 0 N--CA 1.439 -0.986 0 CA-C-N 118.577 0.626 . . . . 0.0 110.036 -179.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.467 ' N ' HD21 ' A' ' 72' ' ' LEU . 2.5 t80 -61.33 -13.2 17.56 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 114.135 1.161 . . . . 0.0 114.135 -177.65 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 61.3 mttm -56.49 -34.03 66.56 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 120.938 -1.101 . . . . 0.0 110.499 177.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.0 p -68.99 -6.64 29.06 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 179.201 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.6 m -109.63 -38.3 5.45 Favored 'General case' 0 CA--C 1.516 -0.346 0 C-N-CA 126.491 1.916 . . . . 0.0 110.818 -174.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.1 mp -45.93 -31.11 1.16 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 C-N-CA 125.187 1.395 . . . . 0.0 111.173 178.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -52.31 -42.85 56.9 Favored Glycine 0 CA--C 1.536 1.358 0 CA-C-N 118.677 0.671 . . . . 0.0 111.916 177.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.2 m -96.59 -46.35 6.36 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 117.736 0.768 . . . . 0.0 109.967 179.043 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.417 ' CE1' HG21 ' A' ' 29' ' ' VAL . 84.0 m-70 -63.81 -25.0 67.98 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.882 0.873 . . . . 0.0 112.872 -177.174 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 70.76 107.52 0.04 OUTLIER Glycine 0 CA--C 1.526 0.747 0 C-N-CA 123.983 0.801 . . . . 0.0 115.056 176.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 58.94 -67.35 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 127.801 2.44 . . . . 0.0 113.442 177.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -157.39 68.54 0.54 Allowed 'General case' 0 N--CA 1.438 -1.028 0 C-N-CA 127.151 2.18 . . . . 0.0 107.289 179.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 56.04 28.16 53.0 Favored Glycine 0 CA--C 1.526 0.765 0 C-N-CA 123.976 0.798 . . . . 0.0 113.938 179.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 89.2 p -76.19 -29.58 57.7 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 118.132 0.966 . . . . 0.0 111.016 -179.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -94.52 132.53 39.1 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 121.126 0.489 . . . . 0.0 110.473 -178.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.44 82.07 1.44 Allowed 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 104.791 -2.3 . . . . 0.0 104.791 175.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -37.35 130.36 0.94 Allowed 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 115.117 1.525 . . . . 0.0 115.117 -175.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 22.2 mmt 14.91 -49.74 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.648 1 C-N-CA 134.554 5.142 . . . . 0.0 118.239 178.252 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.01 -28.5 70.37 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 176.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.0 m 109.86 53.8 0.0 OUTLIER 'General case' 0 N--CA 1.455 -0.175 1 C-N-CA 132.019 4.128 . . . . 0.0 104.224 -177.279 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.22 138.77 37.82 Favored 'General case' 0 N--CA 1.444 -0.755 0 N-CA-C 115.228 1.566 . . . . 0.0 115.228 -175.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.7 mtmm -60.48 117.52 25.42 Favored Pre-proline 0 N--CA 1.449 -0.478 0 N-CA-C 102.16 -3.274 . . . . 0.0 102.16 173.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -32.73 104.34 0.03 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.732 0 C-N-CA 123.97 3.113 . . . . 0.0 113.011 -176.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.417 HG21 ' CE1' ' A' ' 14' ' ' HIS . 95.9 t -54.99 -33.03 27.97 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.732 0 N-CA-C 107.053 -1.462 . . . . 0.0 107.053 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.5 tttp -58.55 80.36 0.01 OUTLIER 'General case' 0 C--N 1.344 0.36 0 C-N-CA 127.497 2.319 . . . . 0.0 111.522 176.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 131.84 -6.33 5.47 Favored Glycine 0 CA--C 1.521 0.447 0 CA-C-N 114.356 -1.293 . . . . 0.0 113.205 177.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -64.45 147.92 51.66 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 119.07 1.435 . . . . 0.0 107.441 178.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -40.07 -101.99 0.01 OUTLIER Glycine 0 CA--C 1.541 1.697 0 N-CA-C 118.983 2.353 . . . . 0.0 118.983 -174.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.444 ' HA ' HD12 ' A' ' 37' ' ' LEU . . . 177.68 -60.83 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 128.539 2.735 . . . . 0.0 105.481 179.108 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -59.92 -38.62 82.87 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 107.14 -1.43 . . . . 0.0 107.14 175.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -56.79 -65.19 0.66 Allowed 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 126.627 1.971 . . . . 0.0 107.936 177.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' A' ' 34' ' ' ALA . 19.5 mt -46.42 -49.31 18.28 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 125.997 1.719 . . . . 0.0 109.954 179.641 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -62.23 -52.94 61.74 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 125.275 1.43 . . . . 0.0 112.532 -179.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.9 mttp -59.19 -41.82 89.41 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-N 118.77 0.714 . . . . 0.0 109.433 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -67.29 -44.72 78.56 Favored 'General case' 0 N--CA 1.438 -1.036 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.991 -178.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 57.2 mtm -64.08 -40.76 96.96 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-O 118.518 -0.753 . . . . 0.0 109.334 177.22 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -58.46 -44.0 89.11 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 177.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.63 -40.59 94.89 Favored Glycine 0 CA--C 1.532 1.142 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 177.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -75.85 -32.96 59.98 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 119.029 1.414 . . . . 0.0 111.265 178.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.14 -50.47 20.24 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 125.417 1.487 . . . . 0.0 108.581 -179.291 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -89.23 -40.11 13.07 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 122.919 0.487 . . . . 0.0 109.73 177.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 116.02 14.64 7.71 Favored Glycine 0 CA--C 1.532 1.148 0 C-N-CA 124.967 1.27 . . . . 0.0 112.71 179.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.2 t -75.0 -23.54 58.25 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 118.417 1.109 . . . . 0.0 110.986 179.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 33.7 t80 . . . . . 0 N--CA 1.464 0.252 0 N-CA-C 107.133 -1.432 . . . . 0.0 107.133 177.544 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt . . . . . 0 C--O 1.222 -0.372 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.13 -48.47 79.99 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 118.302 0.501 . . . . 0.0 110.674 -179.096 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -61.71 -43.33 99.06 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 179.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 31.5 mmm -58.08 -59.56 5.09 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 109.641 -0.504 . . . . 0.0 109.641 178.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 30.8 m -48.9 -46.6 43.01 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.278 1.031 . . . . 0.0 109.532 176.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -58.81 -42.37 88.99 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 118.886 0.766 . . . . 0.0 110.927 178.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.35 -30.86 65.11 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -179.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 76.1 t -90.73 -43.46 14.4 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 N-CA-C 115.433 1.642 . . . . 0.0 115.433 -174.607 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -51.44 -28.83 14.11 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.366 1.066 . . . . 0.0 113.003 -176.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -64.8 -22.01 66.9 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 178.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -88.64 -168.95 2.36 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-O 123.37 1.557 . . . . 0.0 110.678 -179.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 25.2 m -159.56 160.48 34.51 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 127.473 2.309 . . . . 0.0 107.825 -177.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -27.53 -54.83 0.09 Allowed 'General case' 0 C--O 1.225 -0.187 0 C-N-CA 126.702 2.001 . . . . 0.0 115.234 -177.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.05 -52.94 62.82 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-O 121.395 0.616 . . . . 0.0 110.009 -178.036 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -59.12 -47.58 84.76 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 123.866 0.866 . . . . 0.0 109.869 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 62.5 mt -60.3 -47.29 86.64 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.2 0.6 . . . . 0.0 110.703 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -61.81 -45.61 93.08 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 179.244 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.45 -44.46 97.08 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 -179.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.467 HD21 ' N ' ' A' ' 7' ' ' TYR . 12.6 mt -57.14 -60.32 3.79 Favored 'General case' 0 N--CA 1.442 -0.834 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 178.16 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.62 -46.65 63.7 Favored 'General case' 0 N--CA 1.453 -0.298 0 O-C-N 123.042 0.214 . . . . 0.0 110.978 -178.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -54.43 -41.28 69.17 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 176.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -67.43 -55.88 11.89 Favored 'General case' 0 C--N 1.34 0.171 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 176.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.7 mpp? -50.78 -30.91 15.35 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 119.074 0.852 . . . . 0.0 112.577 178.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.5 t -55.48 -30.75 61.18 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 120.65 -1.281 . . . . 0.0 111.516 177.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 44.3 mttp -103.67 28.81 6.23 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.972 1.309 . . . . 0.0 110.324 -179.226 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 14.4 tp . . . . . 0 C--O 1.25 1.08 0 C-N-CA 124.963 1.305 . . . . 0.0 110.636 -178.327 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 CA--C 1.53 0.196 0 N-CA-C 111.442 0.164 . . . . 0.0 111.442 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -48.11 -52.01 18.5 Favored Glycine 0 CA--C 1.524 0.598 0 C-N-CA 123.83 0.728 . . . . 0.0 111.474 -179.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.43 -30.59 41.29 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 113.124 0.786 . . . . 0.0 113.124 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -84.11 -16.38 43.87 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 118.417 0.553 . . . . 0.0 110.906 -178.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 78.0 mt -91.53 -49.23 6.42 Favored 'General case' 0 N--CA 1.438 -1.038 0 N-CA-C 106.59 -1.633 . . . . 0.0 106.59 177.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.419 ' HD1' HD22 ' A' ' 72' ' ' LEU . 1.6 t80 -62.08 -17.89 58.96 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 114.387 1.255 . . . . 0.0 114.387 -177.221 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.4 pttm -52.41 -35.36 51.67 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 119.356 0.98 . . . . 0.0 110.407 177.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.67 -10.11 59.41 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.679 1.592 . . . . 0.0 112.962 -178.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.3 m -107.6 -33.68 7.24 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 127.728 2.411 . . . . 0.0 110.144 -177.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -45.92 -30.3 1.04 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 126.096 1.759 . . . . 0.0 110.301 177.591 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -56.13 -44.93 88.61 Favored Glycine 0 CA--C 1.537 1.433 0 O-C-N 121.446 -0.784 . . . . 0.0 111.843 177.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.3 m -90.68 -39.11 12.64 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 117.859 0.83 . . . . 0.0 110.669 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 -83.88 -16.46 44.29 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 115.565 1.691 . . . . 0.0 115.565 -175.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.86 156.05 26.72 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 110.36 -1.096 . . . . 0.0 110.36 -178.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -29.37 -61.94 0.13 Allowed 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 127.429 2.292 . . . . 0.0 114.129 -178.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.8 p-10 -111.31 47.83 0.98 Allowed 'General case' 0 N--CA 1.431 -1.376 0 C-N-CA 127.285 2.234 . . . . 0.0 109.31 -179.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 38.07 31.05 0.09 OUTLIER Glycine 0 CA--C 1.532 1.13 0 C-N-CA 126.863 2.173 . . . . 0.0 115.437 179.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.8 p -82.39 -26.16 33.09 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 127.168 2.187 . . . . 0.0 113.335 -178.079 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.5 ttmm -72.7 130.41 40.46 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 121.245 0.545 . . . . 0.0 110.594 -177.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.43 80.47 1.91 Allowed 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 104.999 -2.223 . . . . 0.0 104.999 175.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -40.3 133.55 1.8 Allowed 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 115.067 1.506 . . . . 0.0 115.067 -175.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.4 mmt 20.31 -75.2 0.0 OUTLIER 'General case' 0 C--N 1.342 0.282 1 C-N-CA 131.781 4.033 . . . . 0.0 115.723 179.089 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -52.73 -36.61 49.61 Favored Glycine 0 CA--C 1.528 0.89 0 N-CA-C 111.611 -0.595 . . . . 0.0 111.611 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 73.6 m 122.18 57.36 0.0 OUTLIER 'General case' 0 CA--C 1.528 0.105 1 C-N-CA 131.933 4.093 . . . . 0.0 106.348 -179.276 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.19 145.94 16.26 Favored 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 114.743 1.386 . . . . 0.0 114.743 -177.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -65.8 115.05 19.0 Favored Pre-proline 0 N--CA 1.447 -0.619 0 N-CA-C 100.395 -3.928 . . . . 0.0 100.395 172.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -34.1 119.64 0.12 Allowed 'Trans proline' 0 N--CA 1.456 -0.716 0 C-N-CA 123.469 2.78 . . . . 0.0 112.416 -175.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.7 t -57.09 -46.13 84.34 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 N-CA-C 105.231 -2.137 . . . . 0.0 105.231 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.1 tttp -51.21 113.78 1.03 Allowed 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 123.844 0.858 . . . . 0.0 110.917 173.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 113.53 -24.24 12.51 Favored Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 109.979 -1.249 . . . . 0.0 109.979 178.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -66.46 142.13 57.67 Favored 'General case' 0 N--CA 1.437 -1.104 0 N-CA-C 106.85 -1.537 . . . . 0.0 106.85 178.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -84.15 148.05 24.01 Favored Glycine 0 CA--C 1.526 0.759 0 CA-C-O 118.953 -0.915 . . . . 0.0 112.655 -176.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.48 -49.26 13.74 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-N 119.329 1.565 . . . . 0.0 112.291 -179.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.9 tp10 -59.9 -41.68 92.17 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 120.869 0.366 . . . . 0.0 110.048 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -60.97 -61.86 2.27 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 125.374 1.47 . . . . 0.0 108.295 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 34.7 mt -48.63 -45.96 39.16 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 126.874 2.07 . . . . 0.0 110.003 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -70.03 -47.49 61.88 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 123.641 0.776 . . . . 0.0 111.891 -178.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -60.21 -42.0 94.24 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 179.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -65.27 -52.3 55.23 Favored 'General case' 0 N--CA 1.436 -1.15 0 C-N-CA 123.517 0.727 . . . . 0.0 110.057 -179.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 43.6 mtm -60.57 -42.63 97.06 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 118.732 -0.651 . . . . 0.0 110.368 178.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.2 ttpm? -56.76 -44.03 81.36 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 178.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -60.85 -48.17 87.61 Favored Glycine 0 CA--C 1.529 0.952 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 176.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -63.85 -33.06 74.83 Favored 'General case' 0 C--N 1.342 0.249 0 CA-C-N 118.947 1.373 . . . . 0.0 110.634 179.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.12 -44.41 71.29 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.907 1.283 . . . . 0.0 107.767 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -88.64 -35.69 16.68 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 119.444 -0.312 . . . . 0.0 110.892 179.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 118.3 -2.56 16.28 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 125.588 1.566 . . . . 0.0 115.138 178.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 59.6 p -67.52 -58.71 4.23 Favored 'General case' 0 N--CA 1.431 -1.417 0 CA-C-N 120.071 1.936 . . . . 0.0 112.522 -178.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 36.4 t80 . . . . . 0 CA--C 1.53 0.188 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 179.948 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt . . . . . 0 C--O 1.223 -0.326 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.95 -49.19 78.67 Favored 'General case' 0 N--CA 1.456 -0.146 0 O-C-N 122.109 -0.369 . . . . 0.0 110.648 -178.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -60.37 -42.69 96.34 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 179.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.0 mmm -58.45 -60.49 3.71 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.765 178.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 31.3 m -47.43 -46.87 26.83 Favored 'General case' 0 C--O 1.224 -0.253 0 C-N-CA 124.337 1.055 . . . . 0.0 109.109 176.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -56.25 -36.58 68.69 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 118.447 0.567 . . . . 0.0 111.432 178.258 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -81.41 -35.18 31.02 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 118.476 0.58 . . . . 0.0 112.33 -178.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 77.1 t -82.72 -49.08 17.37 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 C-N-CA 127.295 2.238 . . . . 0.0 114.729 -176.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -63.69 71.93 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 126.752 2.021 . . . . 0.0 112.027 -176.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -173.46 -37.32 0.01 OUTLIER 'General case' 0 N--CA 1.44 -0.952 0 C-N-CA 128.924 2.89 . . . . 0.0 108.356 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -74.8 142.77 44.21 Favored 'General case' 0 N--CA 1.434 -1.256 0 CA-C-O 122.909 1.337 . . . . 0.0 109.219 179.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 63.4 p -78.39 167.78 20.82 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 112.466 -2.152 . . . . 0.0 108.658 177.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -55.47 -37.72 68.13 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 122.708 0.403 . . . . 0.0 110.21 177.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -65.6 -55.85 15.41 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.714 1.206 . . . . 0.0 109.311 178.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -56.05 -46.53 78.89 Favored 'General case' 0 CA--C 1.531 0.234 0 O-C-N 122.161 -0.337 . . . . 0.0 110.273 179.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 28.2 mt -58.64 -46.77 86.38 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.189 0.595 . . . . 0.0 109.53 178.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -60.63 -43.77 97.12 Favored 'General case' 0 CA--C 1.53 0.188 0 O-C-N 121.961 -0.462 . . . . 0.0 109.978 179.144 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.59 -44.11 97.13 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 -179.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.467 HD23 ' HA ' ' A' ' 72' ' ' LEU . 12.3 mt -59.9 -52.12 66.77 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 178.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.6 -43.14 89.44 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 -179.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -55.02 -51.04 67.52 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 178.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -59.32 -57.07 14.6 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 119.086 -0.483 . . . . 0.0 110.017 179.019 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 58.9 mtm -49.14 -39.91 30.6 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 118.992 0.815 . . . . 0.0 112.163 177.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.9 t -64.24 -8.56 13.04 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 117.938 -1.03 . . . . 0.0 113.254 -179.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -86.39 -13.3 46.75 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 119.523 1.056 . . . . 0.0 110.175 177.045 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.2 mp . . . . . 0 C--O 1.249 1.063 0 CA-C-O 117.657 -1.164 . . . . 0.0 109.297 178.089 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 CA--C 1.533 0.323 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -52.81 -56.01 20.52 Favored Glycine 0 C--N 1.337 0.589 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.502 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -50.16 -46.59 54.27 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 117.457 0.629 . . . . 0.0 111.351 179.758 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.23 -48.56 81.23 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 119.483 -0.294 . . . . 0.0 110.611 -179.341 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.4 mt -61.82 -47.83 83.31 Favored 'General case' 0 N--CA 1.44 -0.959 0 CA-C-N 118.54 0.609 . . . . 0.0 109.379 179.732 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -57.26 -19.4 21.33 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 113.944 1.09 . . . . 0.0 113.944 -177.879 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.6 mtpt -50.33 -41.11 50.76 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 119.663 1.119 . . . . 0.0 110.954 177.878 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.2 p -63.67 -29.45 70.68 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -179.84 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.4 m -85.39 -36.05 20.95 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 126.884 2.073 . . . . 0.0 109.903 -175.821 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -46.83 -32.94 1.97 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 C-N-CA 125.907 1.683 . . . . 0.0 110.692 179.512 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -53.87 -41.08 66.52 Favored Glycine 0 CA--C 1.534 1.276 0 O-C-N 121.911 -0.493 . . . . 0.0 112.139 178.183 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.8 m -96.58 -47.51 5.9 Favored 'General case' 0 N--CA 1.463 0.175 0 C-N-CA 123.663 0.785 . . . . 0.0 110.138 179.476 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 87.5 m-70 -70.4 -13.47 62.15 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 124.503 1.121 . . . . 0.0 114.002 -177.09 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 78.69 165.15 27.84 Favored Glycine 0 N--CA 1.446 -0.691 0 CA-C-O 122.221 0.901 . . . . 0.0 112.279 179.065 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.22 101.84 0.06 Allowed 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 114.158 -1.021 . . . . 0.0 110.812 -179.496 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.9 t70 78.77 37.77 0.15 Allowed 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 127.111 2.164 . . . . 0.0 110.116 176.73 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 60.12 20.48 54.21 Favored Glycine 0 CA--C 1.527 0.813 0 C-N-CA 124.241 0.924 . . . . 0.0 114.529 178.214 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.0 m -71.4 -25.04 62.18 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 -177.569 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 41.5 tttp -90.79 140.87 29.38 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 122.282 1.039 . . . . 0.0 112.224 -177.456 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.81 88.97 1.8 Allowed 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 103.568 -2.753 . . . . 0.0 103.568 173.439 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -42.63 132.84 3.59 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 -175.567 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 26.0 mmt 16.93 -77.66 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 131.19 3.796 . . . . 0.0 115.593 179.423 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -49.08 -35.53 19.09 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 123.6 0.619 . . . . 0.0 111.99 179.784 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 68.6 m 120.15 59.39 0.0 OUTLIER 'General case' 0 N--CA 1.457 -0.098 1 C-N-CA 132.532 4.333 . . . . 0.0 106.895 179.379 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.3 152.22 17.92 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 -178.901 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.1 mtmm -64.88 118.09 45.36 Favored Pre-proline 0 N--CA 1.45 -0.474 0 N-CA-C 100.594 -3.854 . . . . 0.0 100.594 171.514 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -33.48 110.62 0.05 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 123.715 2.943 . . . . 0.0 111.406 -176.805 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 42.5 t -54.51 -39.51 45.72 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 N-CA-C 106.329 -1.73 . . . . 0.0 106.329 -178.376 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.6 tttp -59.62 94.51 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 122.251 1.024 . . . . 0.0 109.534 173.554 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 138.25 -32.4 2.34 Favored Glycine 0 N--CA 1.444 -0.803 0 CA-C-N 113.825 -1.534 . . . . 0.0 112.173 179.044 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . 0.274 0.6 OUTLIER -69.77 148.21 49.46 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 119.589 1.694 . . . . 0.0 110.092 -178.851 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -86.96 150.22 22.81 Favored Glycine 0 CA--C 1.526 0.753 0 C-N-CA 124.559 1.076 . . . . 0.0 115.122 -174.178 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -46.08 -50.66 14.98 Favored 'General case' 0 CA--C 1.515 -0.382 0 C-N-CA 127.303 2.241 . . . . 0.0 112.495 -178.084 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -56.22 -47.82 77.66 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 -179.684 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -59.59 -60.66 3.49 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 124.086 0.954 . . . . 0.0 108.587 179.687 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 15.7 mt -50.97 -42.94 60.38 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 125.324 1.449 . . . . 0.0 112.087 -179.232 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -72.18 -44.13 63.48 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 123.732 0.813 . . . . 0.0 110.637 -178.58 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -61.8 -42.23 98.74 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 -179.517 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -69.85 -44.9 68.94 Favored 'General case' 0 N--CA 1.436 -1.175 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.532 -178.366 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 56.7 mtm -65.36 -40.62 93.81 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 118.929 0.786 . . . . 0.0 109.871 177.389 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -58.84 -39.33 80.93 Favored 'General case' 0 CA--C 1.528 0.115 0 N-CA-C 107.011 -1.477 . . . . 0.0 107.011 176.776 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.78 -64.18 4.6 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 109.057 -1.617 . . . . 0.0 109.057 176.073 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -55.1 -36.06 65.29 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 118.132 0.966 . . . . 0.0 112.127 -179.19 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -48.64 -41.77 32.21 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.813 1.245 . . . . 0.0 109.097 179.376 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -114.04 25.52 11.07 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.575 1.15 . . . . 0.0 111.134 179.538 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 50.95 27.14 12.68 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 125.043 1.306 . . . . 0.0 113.988 -179.836 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 33.9 t -100.7 32.12 3.25 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.684 1.594 . . . . 0.0 111.719 -178.151 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 35.2 t80 . . . . . 0 C--O 1.232 0.172 0 N-CA-C 105.931 -1.878 . . . . 0.0 105.931 177.139 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? . . . . . 0 CA--C 1.535 0.377 0 N-CA-C 111.675 0.25 . . . . 0.0 111.675 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.81 -50.68 67.98 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.664 1.186 . . . . 0.0 110.707 -179.124 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -44.0 95.03 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 178.828 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 20.4 mmm -56.42 -58.76 6.64 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.375 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 92.8 m -47.82 -43.66 28.18 Favored 'General case' 0 C--O 1.222 -0.36 0 C-N-CA 125.257 1.423 . . . . 0.0 109.32 176.114 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -63.59 -40.09 96.05 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 119.116 0.871 . . . . 0.0 110.542 179.039 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.8 -33.17 68.34 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.096 0.558 . . . . 0.0 112.014 -179.571 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 73.3 t -87.33 -48.96 15.09 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 C-N-CA 126.674 1.99 . . . . 0.0 114.618 -176.065 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.8 ttpp -68.89 70.12 0.19 Allowed 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 126.25 1.82 . . . . 0.0 111.134 -177.466 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.9 ptmm? -167.16 -30.69 0.02 OUTLIER 'General case' 0 N--CA 1.441 -0.885 0 C-N-CA 130.197 3.399 . . . . 0.0 107.866 179.787 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -76.04 -169.13 1.05 Allowed 'General case' 0 N--CA 1.44 -0.958 0 CA-C-O 123.935 1.826 . . . . 0.0 109.107 176.367 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.9 m -153.02 162.27 41.53 Favored 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 128.232 2.613 . . . . 0.0 106.924 179.274 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -33.09 -52.36 0.34 Allowed 'General case' 0 C--O 1.226 -0.171 0 C-N-CA 125.753 1.621 . . . . 0.0 114.217 -177.724 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -60.39 -50.96 71.53 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-O 120.774 0.321 . . . . 0.0 110.561 -178.023 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.2 mp0 -61.05 -46.26 91.41 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.327 0.651 . . . . 0.0 109.532 178.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 57.1 mt -59.12 -48.81 80.25 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-N 118.185 0.448 . . . . 0.0 110.339 179.806 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 24.4 ttpp -61.45 -41.89 97.91 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 123.621 0.768 . . . . 0.0 109.909 179.56 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.1 -46.21 82.0 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 -179.468 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.8 mt -58.44 -59.23 5.69 Favored 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 178.635 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.38 -39.9 67.64 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 118.763 -0.637 . . . . 0.0 110.318 -178.234 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -57.87 -49.49 76.53 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 177.476 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -59.97 -60.02 4.5 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 178.169 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.3 mpp? -50.1 -35.16 24.43 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.258 -0.901 . . . . 0.0 113.228 178.297 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.2 t -69.76 -20.81 63.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 117.322 -1.323 . . . . 0.0 113.144 -179.927 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -90.61 3.38 54.27 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 119.99 1.268 . . . . 0.0 110.376 178.209 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 84.0 mt . . . . . 0 C--O 1.251 1.16 0 CA-C-O 117.215 -1.374 . . . . 0.0 109.465 177.679 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.0 t70 . . . . . 0 CA--C 1.532 0.287 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.52 -54.38 37.63 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 179.156 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.91 -45.34 67.52 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 117.769 0.784 . . . . 0.0 110.91 -179.738 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.91 -50.14 74.61 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 110.345 -0.243 . . . . 0.0 110.345 179.94 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 46.9 mt -58.02 -46.52 85.17 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-N 118.37 0.532 . . . . 0.0 109.931 -179.816 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.416 ' N ' HD21 ' A' ' 72' ' ' LEU . 2.1 t80 -60.19 -15.89 28.24 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 114.185 1.18 . . . . 0.0 114.185 -177.868 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.2 mtpt -52.58 -40.58 62.76 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 119.73 1.15 . . . . 0.0 110.872 178.51 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.5 p -63.39 -23.27 67.33 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 113.129 0.789 . . . . 0.0 113.129 179.649 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.6 m -93.01 -36.34 12.78 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 127.105 2.162 . . . . 0.0 110.398 -175.282 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -46.61 -29.52 1.14 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 C-N-CA 125.791 1.636 . . . . 0.0 111.231 179.126 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -55.12 -50.75 57.99 Favored Glycine 0 CA--C 1.536 1.361 0 CA-C-N 118.785 0.72 . . . . 0.0 111.375 177.409 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.0 m -86.97 -45.1 11.1 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 117.604 0.702 . . . . 0.0 110.118 179.911 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 87.5 m-70 -69.42 -20.87 63.78 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 -176.827 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.11 159.79 25.72 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.218 -1.153 . . . . 0.0 110.218 -178.745 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -14.85 -57.65 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 129.216 3.007 . . . . 0.0 113.72 -178.982 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -147.17 65.8 1.15 Allowed 'General case' 0 N--CA 1.439 -1.019 0 C-N-CA 124.398 1.079 . . . . 0.0 108.378 177.193 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 60.58 22.84 59.87 Favored Glycine 0 CA--C 1.525 0.689 0 C-N-CA 123.184 0.421 . . . . 0.0 112.896 178.739 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.3 p -71.2 -32.4 68.79 Favored 'General case' 0 N--CA 1.441 -0.895 0 C-N-CA 125.382 1.473 . . . . 0.0 112.485 -177.718 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.3 mtmm -94.81 136.83 34.65 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 118.542 0.61 . . . . 0.0 110.119 179.722 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.65 86.57 1.21 Allowed 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 104.127 -2.546 . . . . 0.0 104.127 175.195 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -35.93 130.81 0.59 Allowed 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 115.449 1.648 . . . . 0.0 115.449 -174.85 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 11.1 tpt 25.62 -79.43 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 131.168 3.787 . . . . 0.0 115.142 178.578 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.81 -35.79 58.77 Favored Glycine 0 CA--C 1.526 0.759 0 CA-C-O 119.582 -0.566 . . . . 0.0 112.414 -179.347 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 70.4 m 124.63 56.91 0.0 OUTLIER 'General case' 0 CA--C 1.528 0.13 0 C-N-CA 131.301 3.84 . . . . 0.0 106.147 -178.623 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.44 146.21 30.3 Favored 'General case' 0 N--CA 1.443 -0.815 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 -177.295 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.2 mtmt -61.59 116.14 18.91 Favored Pre-proline 0 N--CA 1.448 -0.547 0 N-CA-C 102.275 -3.231 . . . . 0.0 102.275 173.623 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -32.89 105.34 0.04 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 124.065 3.176 . . . . 0.0 113.007 -176.736 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.0 t -56.41 -32.06 34.92 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 N-CA-C 107.386 -1.339 . . . . 0.0 107.386 -179.86 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.3 tttm -58.51 80.9 0.01 OUTLIER 'General case' 0 C--N 1.346 0.432 0 C-N-CA 126.714 2.005 . . . . 0.0 111.718 176.834 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 133.21 -8.17 5.08 Favored Glycine 0 CA--C 1.521 0.466 0 CA-C-N 114.515 -1.221 . . . . 0.0 113.103 178.112 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -63.92 146.85 53.29 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 119.004 1.402 . . . . 0.0 107.348 178.409 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -39.1 -101.95 0.01 OUTLIER Glycine 0 CA--C 1.54 1.65 0 N-CA-C 119.19 2.436 . . . . 0.0 119.19 -173.849 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 176.38 -59.56 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 128.975 2.91 . . . . 0.0 104.888 179.469 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -59.86 -41.86 92.4 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 106.173 -1.788 . . . . 0.0 106.173 175.488 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -52.94 -66.46 0.38 Allowed 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 126.117 1.767 . . . . 0.0 108.965 177.149 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 32.8 mt -45.56 -49.95 13.47 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 113.177 -1.828 . . . . 0.0 110.008 -179.962 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -65.45 -49.98 67.1 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 123.935 0.894 . . . . 0.0 112.611 -179.098 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -60.52 -39.71 88.82 Favored 'General case' 0 N--CA 1.427 -1.596 0 CA-C-N 119.485 1.039 . . . . 0.0 109.514 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -67.89 -48.65 65.45 Favored 'General case' 0 N--CA 1.437 -1.106 0 C-N-CA 122.861 0.464 . . . . 0.0 109.821 -179.319 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 61.3 mtm -62.87 -42.1 99.63 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-O 118.811 -0.614 . . . . 0.0 109.999 177.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -58.43 -42.97 88.51 Favored 'General case' 0 CA--C 1.529 0.147 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 177.496 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -56.56 -52.04 52.74 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 109.305 -1.518 . . . . 0.0 109.305 176.408 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -65.08 -32.3 73.95 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.94 1.37 . . . . 0.0 111.739 179.127 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -48.82 -51.31 30.1 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.827 1.251 . . . . 0.0 109.677 -178.577 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -93.38 -33.47 13.85 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.064 0.546 . . . . 0.0 110.95 178.928 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.96 17.65 6.27 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 125.938 1.733 . . . . 0.0 112.831 179.941 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 33.4 t -90.41 35.06 0.87 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.745 1.218 . . . . 0.0 111.426 -179.761 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 29.7 t80 . . . . . 0 C--O 1.232 0.147 0 N-CA-C 106.476 -1.675 . . . . 0.0 106.476 177.176 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.531 0.232 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.87 -50.43 66.61 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 123.133 0.573 . . . . 0.0 110.323 -179.714 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 26.4 mmt -59.53 -44.76 93.09 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.054 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 30.1 mmm -58.07 -58.03 10.21 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.318 178.9 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 68.4 m -47.83 -47.44 31.31 Favored 'General case' 0 C--O 1.222 -0.39 0 C-N-CA 124.59 1.156 . . . . 0.0 109.134 177.096 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -60.92 -46.06 92.2 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 118.861 0.755 . . . . 0.0 111.073 178.722 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.95 90.96 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.635 0.774 . . . . 0.0 111.46 -179.629 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 77.1 t -82.07 -31.19 10.24 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 C-N-CA 127.372 2.269 . . . . 0.0 113.468 -176.774 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.71 -36.23 57.11 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 125.212 1.405 . . . . 0.0 111.895 -178.236 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -75.2 -3.0 30.51 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -179.901 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 21.8 m-30 -107.95 -172.31 2.04 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 125.226 1.41 . . . . 0.0 108.936 179.357 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 28.0 m -160.8 159.86 30.47 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 126.812 2.045 . . . . 0.0 107.901 -177.395 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -30.92 -48.55 0.11 Allowed 'General case' 0 C--O 1.225 -0.203 0 C-N-CA 126.646 1.978 . . . . 0.0 115.416 -177.107 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.02 -55.02 37.77 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 119.446 1.021 . . . . 0.0 109.32 179.896 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -56.59 -50.82 70.82 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 124.369 1.068 . . . . 0.0 109.363 179.863 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 74.2 mt -57.33 -46.53 83.16 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.969 0.908 . . . . 0.0 111.374 179.791 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -65.46 -40.28 93.01 Favored 'General case' 0 N--CA 1.452 -0.361 0 O-C-N 121.656 -0.653 . . . . 0.0 109.697 179.565 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.89 -45.5 89.07 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.822 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.416 HD21 ' N ' ' A' ' 7' ' ' TYR . 13.3 mt -56.25 -59.83 4.37 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 177.56 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -50.66 -47.38 58.66 Favored 'General case' 0 N--CA 1.449 -0.51 0 O-C-N 123.447 0.467 . . . . 0.0 110.708 -178.29 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -54.39 -43.45 71.43 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 176.52 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -64.84 -57.71 8.13 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 177.026 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.9 mpp? -51.38 -28.47 12.73 Favored 'General case' 0 CA--C 1.539 0.519 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 178.581 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 17.1 t -55.86 -32.65 63.83 Favored 'General case' 0 CA--C 1.534 0.351 0 O-C-N 120.659 -1.276 . . . . 0.0 111.083 177.351 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 32.1 mmtt -103.62 32.04 4.08 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.579 0.752 . . . . 0.0 110.083 -178.508 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 14.8 tp . . . . . 0 C--O 1.251 1.151 0 C-N-CA 125.505 1.522 . . . . 0.0 110.318 -178.76 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 24.2 t0 . . . . . 0 N--CA 1.46 0.054 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.96 -50.45 67.58 Favored Glycine 0 CA--C 1.528 0.845 0 N-CA-C 110.301 -1.12 . . . . 0.0 110.301 178.042 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.29 -49.85 71.07 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 118.204 1.002 . . . . 0.0 111.591 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.25 -51.39 69.16 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 -179.811 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 74.3 mt -54.21 -48.06 71.45 Favored 'General case' 0 N--CA 1.44 -0.933 0 CA-C-N 118.121 0.419 . . . . 0.0 110.787 -179.825 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.425 ' N ' HD21 ' A' ' 72' ' ' LEU . 3.1 t80 -62.0 -13.99 31.07 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 114.556 1.317 . . . . 0.0 114.556 -177.331 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -58.44 -30.84 67.23 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 120.845 -1.16 . . . . 0.0 110.788 178.468 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.2 p -70.9 -6.2 36.52 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 112.759 0.651 . . . . 0.0 112.759 178.677 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.3 m -109.55 -37.32 5.73 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 126.624 1.97 . . . . 0.0 110.688 -174.684 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.1 mp -43.05 -35.91 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 C-N-CA 125.775 1.63 . . . . 0.0 110.173 177.442 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -50.1 -43.93 41.89 Favored Glycine 0 CA--C 1.536 1.366 0 O-C-N 121.693 -0.629 . . . . 0.0 112.714 178.171 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.6 m -96.05 -43.92 7.56 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 117.796 0.798 . . . . 0.0 110.421 179.463 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -72.13 -6.65 44.12 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.11 0.964 . . . . 0.0 113.526 -177.585 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 63.9 -158.21 41.37 Favored Glycine 0 N--CA 1.445 -0.742 0 N-CA-C 111.481 -0.648 . . . . 0.0 111.481 178.61 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.24 96.12 0.1 Allowed 'General case' 0 N--CA 1.445 -0.69 0 CA-C-O 121.899 0.857 . . . . 0.0 111.092 -179.307 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 48.22 61.27 3.1 Favored 'General case' 0 N--CA 1.436 -1.141 0 C-N-CA 127.156 2.182 . . . . 0.0 111.144 175.847 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.96 5.69 41.18 Favored Glycine 0 CA--C 1.525 0.663 0 CA-C-O 118.183 -1.343 . . . . 0.0 115.389 177.18 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 52.2 m -68.15 -27.12 66.15 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 119.549 1.675 . . . . 0.0 111.231 179.508 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -88.51 127.87 35.54 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 118.878 0.763 . . . . 0.0 109.584 -179.693 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.55 85.88 0.87 Allowed 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 105.411 -2.07 . . . . 0.0 105.411 176.086 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -36.81 126.71 0.89 Allowed 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 125.384 1.474 . . . . 0.0 114.859 -175.69 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 24.7 mmt 22.27 -76.28 0.0 OUTLIER 'General case' 0 C--N 1.342 0.275 0 C-N-CA 131.665 3.986 . . . . 0.0 115.391 178.863 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -52.95 -33.34 43.64 Favored Glycine 0 CA--C 1.529 0.919 0 C-N-CA 123.305 0.479 . . . . 0.0 112.086 179.504 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 70.5 m 119.95 56.86 0.0 OUTLIER 'General case' 0 C--O 1.23 0.076 1 C-N-CA 131.718 4.007 . . . . 0.0 107.158 179.717 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.58 146.4 30.44 Favored 'General case' 0 N--CA 1.445 -0.698 0 N-CA-C 114.641 1.349 . . . . 0.0 114.641 -178.292 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.7 mtmm -60.43 127.58 86.78 Favored Pre-proline 0 CA--C 1.538 0.514 0 N-CA-C 102.817 -3.031 . . . . 0.0 102.817 172.872 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_exo -41.95 100.94 0.04 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 123.95 3.1 . . . . 0.0 112.62 -177.967 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.425 HG11 ' OH ' ' A' ' 7' ' ' TYR . 12.3 t -52.3 -33.82 17.65 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 123.075 0.55 . . . . 0.0 109.726 -177.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.7 tttm -42.47 81.07 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 127.543 2.337 . . . . 0.0 116.072 176.534 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.55 14.79 57.94 Favored Glycine 0 N--CA 1.439 -1.131 0 CA-C-O 117.318 -1.823 . . . . 0.0 112.945 175.73 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . 0.325 7.0 pt20 -75.64 95.2 3.33 Favored 'General case' 0 C--N 1.349 0.571 0 CA-C-N 120.289 2.044 . . . . 0.0 110.014 179.9 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 50.36 -148.57 6.9 Favored Glycine 0 CA--C 1.542 1.722 0 C-N-CA 128.866 3.127 . . . . 0.0 110.831 -173.557 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -148.72 -61.56 0.24 Allowed 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 102.316 -3.216 . . . . 0.0 102.316 175.057 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 47.0 tt0 -56.53 -34.97 67.55 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 174.464 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -55.59 -70.53 0.11 Allowed 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 107.632 -1.247 . . . . 0.0 107.632 177.662 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -53.26 -37.49 62.18 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -178.831 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -65.61 -43.44 89.61 Favored 'General case' 0 N--CA 1.452 -0.364 0 O-C-N 121.922 -0.486 . . . . 0.0 110.656 -179.256 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.7 ttmm -69.51 -41.3 76.21 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 -178.856 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -63.41 -47.72 80.77 Favored 'General case' 0 N--CA 1.438 -1.054 0 C-N-CA 123.625 0.77 . . . . 0.0 109.125 -179.951 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 64.4 mtm -65.66 -39.37 91.31 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-O 117.59 -1.195 . . . . 0.0 109.577 178.068 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 58.1 tttp -58.31 -42.91 87.72 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 106.843 -1.539 . . . . 0.0 106.843 176.231 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -53.33 -58.21 12.77 Favored Glycine 0 CA--C 1.528 0.858 0 N-CA-C 109.796 -1.322 . . . . 0.0 109.796 176.934 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -60.89 -44.86 96.52 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 118.522 1.161 . . . . 0.0 111.167 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.95 -48.15 52.17 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 125.934 1.694 . . . . 0.0 108.896 179.686 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -90.86 13.1 17.36 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.702 1.201 . . . . 0.0 112.398 -179.24 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 51.42 35.69 36.52 Favored Glycine 0 CA--C 1.533 1.177 0 C-N-CA 124.545 1.069 . . . . 0.0 113.274 -179.861 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.6 t -120.87 31.8 6.25 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.904 1.682 . . . . 0.0 112.258 -178.121 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 31.3 t80 . . . . . 0 C--O 1.231 0.102 0 N-CA-C 107.147 -1.427 . . . . 0.0 107.147 178.041 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.4 pttm . . . . . 0 CA--C 1.53 0.186 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.18 -49.47 69.67 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.22 0.608 . . . . 0.0 110.642 -178.586 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 25.4 mmt -60.61 -42.91 97.76 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 179.095 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 37.6 mmm -57.98 -61.53 2.48 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 116.015 -0.538 . . . . 0.0 109.631 178.742 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 88.6 m -48.05 -45.47 32.29 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.209 1.004 . . . . 0.0 109.672 177.312 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -61.66 -40.42 94.86 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 121.695 -0.628 . . . . 0.0 111.531 179.159 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.72 -32.73 64.03 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.793 -0.567 . . . . 0.0 111.808 -179.769 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 67.4 t -85.0 -40.86 15.32 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 C-N-CA 125.893 1.677 . . . . 0.0 114.306 -176.072 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 56.9 pttt -52.48 -30.72 31.38 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 -176.626 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.2 pttm -72.63 -10.97 60.43 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.39 0.541 . . . . 0.0 112.194 -179.419 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -97.11 -169.9 1.94 Allowed 'General case' 0 N--CA 1.441 -0.922 0 CA-C-O 123.263 1.506 . . . . 0.0 109.11 178.721 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.3 m -153.42 161.32 42.41 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 127.064 2.145 . . . . 0.0 108.33 -179.44 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -29.43 -53.01 0.13 Allowed 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 126.792 2.037 . . . . 0.0 114.827 -177.728 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -60.91 -51.2 70.31 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 120.964 0.411 . . . . 0.0 110.268 -178.546 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.4 mp0 -58.87 -45.15 90.87 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 178.507 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 47.9 mt -58.12 -50.15 74.47 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 118.493 0.588 . . . . 0.0 110.676 179.036 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -59.46 -45.74 90.78 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 122.894 0.478 . . . . 0.0 110.402 -179.578 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.99 -43.57 95.32 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 -179.125 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.463 HD23 ' HA ' ' A' ' 72' ' ' LEU . 11.3 mt -57.95 -60.46 3.69 Favored 'General case' 0 N--CA 1.44 -0.952 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 178.473 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.18 -46.36 62.09 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 118.143 0.429 . . . . 0.0 111.195 -177.717 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -52.23 -47.73 65.53 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 176.67 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -62.37 -53.76 50.27 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 177.424 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.1 mpp? -49.5 -38.06 28.88 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 119.471 1.032 . . . . 0.0 112.382 178.492 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.3 t -60.12 -27.99 67.5 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 121.449 -0.782 . . . . 0.0 112.191 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -103.55 19.76 19.18 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.853 0.861 . . . . 0.0 111.827 -177.828 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 86.5 mt . . . . . 0 C--O 1.249 1.078 0 CA-C-O 117.692 -1.147 . . . . 0.0 110.524 177.522 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 17.8 t0 . . . . . 0 CA--C 1.532 0.278 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -54.87 -42.87 80.98 Favored Glycine 0 CA--C 1.527 0.824 0 N-CA-C 110.626 -0.99 . . . . 0.0 110.626 177.691 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.6 -23.87 67.27 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 118.395 1.097 . . . . 0.0 112.18 -179.907 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -85.97 -47.66 9.4 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 108.123 -1.065 . . . . 0.0 108.123 179.548 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 38.3 mt -58.31 -43.29 88.1 Favored 'General case' 0 N--CA 1.442 -0.865 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -179.441 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.501 ' HD1' HD22 ' A' ' 72' ' ' LEU . 2.0 t80 -64.76 -11.06 32.43 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 114.01 1.115 . . . . 0.0 114.01 -178.304 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -54.68 -37.33 65.64 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 120.012 1.278 . . . . 0.0 110.332 178.211 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.1 p -63.47 -23.0 67.21 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 179.227 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.1 m -98.29 -34.44 10.69 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 127.034 2.133 . . . . 0.0 111.462 -175.025 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.3 tp -46.39 -35.45 2.48 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 125.596 1.558 . . . . 0.0 111.322 -179.224 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -56.22 -36.68 69.6 Favored Glycine 0 CA--C 1.532 1.134 0 CA-C-O 119.451 -0.638 . . . . 0.0 112.856 179.081 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.8 t -95.19 -41.88 8.85 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-N 118.19 0.995 . . . . 0.0 111.732 -179.024 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.416 ' CE1' HG21 ' A' ' 29' ' ' VAL . 62.5 m-70 -79.52 -31.18 42.09 Favored 'General case' 0 N--CA 1.435 -1.218 0 C-N-CA 126.78 2.032 . . . . 0.0 116.058 -175.675 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 96.61 157.52 31.3 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 109.333 -1.507 . . . . 0.0 109.333 -177.169 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.22 -37.48 35.64 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 124.588 1.155 . . . . 0.0 112.8 -179.418 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 57.4 p30 -100.56 10.91 40.54 Favored 'General case' 0 N--CA 1.434 -1.23 0 C-N-CA 128.046 2.538 . . . . 0.0 112.334 -178.293 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.59 ' HA3' HD21 ' A' ' 79' ' ' LEU . . . 44.59 31.51 2.53 Favored Glycine 0 CA--C 1.529 0.968 0 C-N-CA 125.029 1.3 . . . . 0.0 113.434 -177.094 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.0 m -118.64 -6.04 10.68 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.819 0.847 . . . . 0.0 111.266 -179.914 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -83.41 67.06 9.17 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 106.472 -1.677 . . . . 0.0 106.472 178.661 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -12.31 93.12 0.01 OUTLIER 'General case' 0 C--N 1.342 0.246 0 C-N-CA 129.097 2.959 . . . . 0.0 113.248 -177.902 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.44 133.24 10.04 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 124.291 1.037 . . . . 0.0 111.817 -178.719 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 11.2 ptm -10.83 -51.33 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 131.148 3.779 . . . . 0.0 117.242 -176.754 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -53.26 -42.55 63.56 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 110.4 -1.08 . . . . 0.0 110.4 178.379 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 69.4 p 128.47 54.91 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.249 1 C-N-CA 134.014 4.926 . . . . 0.0 107.165 178.589 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.3 121.06 10.46 Favored 'General case' 0 C--N 1.348 0.506 0 C-N-CA 118.045 -1.462 . . . . 0.0 114.203 -176.656 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.49 120.48 48.98 Favored Pre-proline 0 N--CA 1.449 -0.51 0 N-CA-C 101.696 -3.446 . . . . 0.0 101.696 173.767 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -26.59 110.03 0.03 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.741 0 C-N-CA 124.938 3.759 . . . . 0.0 112.831 -175.089 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.416 HG21 ' CE1' ' A' ' 14' ' ' HIS . 73.7 t -59.67 -35.22 58.45 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 N-CA-C 107.382 -1.34 . . . . 0.0 107.382 -178.695 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.603 ' HA ' HD23 ' A' ' 79' ' ' LEU . 63.1 tttp -41.37 102.77 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 125.328 1.451 . . . . 0.0 114.55 177.39 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 64.58 40.56 97.69 Favored Glycine 0 N--CA 1.44 -1.043 0 CA-C-N 112.689 -2.05 . . . . 0.0 110.166 177.118 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -60.65 -36.14 77.94 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 107.347 -1.353 . . . . 0.0 107.347 179.608 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 132.16 121.11 2.22 Favored Glycine 0 C--O 1.217 -0.934 0 C-N-CA 128.0 2.714 . . . . 0.0 108.583 176.442 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.76 -46.04 10.3 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 121.091 2.446 . . . . 0.0 112.816 -177.64 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -63.22 -40.84 98.61 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 179.435 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -60.88 -64.12 1.06 Allowed 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 125.866 1.667 . . . . 0.0 107.952 179.253 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 33.3 mt -46.1 -50.83 14.9 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 127.091 2.156 . . . . 0.0 109.514 179.29 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -65.16 -51.65 59.87 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 123.388 0.675 . . . . 0.0 112.201 -179.8 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -57.22 -39.42 75.43 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 -178.885 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -70.95 -44.7 65.53 Favored 'General case' 0 N--CA 1.436 -1.135 0 C-N-CA 123.082 0.553 . . . . 0.0 110.195 -178.839 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 2.0 mtm -62.19 -44.3 96.91 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 118.8 0.727 . . . . 0.0 109.594 177.486 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -58.09 -45.74 86.67 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 107.044 -1.465 . . . . 0.0 107.044 177.864 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -53.41 -54.57 29.16 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 110.244 -1.142 . . . . 0.0 110.244 177.025 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -62.72 -43.12 99.64 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 118.628 1.214 . . . . 0.0 110.595 179.684 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.31 -50.31 59.61 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 125.643 1.577 . . . . 0.0 108.855 -179.837 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -90.53 11.21 22.54 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.455 1.102 . . . . 0.0 112.177 -179.299 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 51.08 31.92 26.88 Favored Glycine 0 CA--C 1.535 1.323 0 C-N-CA 124.326 0.965 . . . . 0.0 113.582 -179.22 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.8 t -114.94 33.48 5.38 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 125.966 1.706 . . . . 0.0 111.593 -178.439 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 37.0 t80 . . . . . 0 C--O 1.233 0.2 0 N-CA-C 106.19 -1.782 . . . . 0.0 106.19 179.262 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.172 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.47 -51.8 67.9 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 122.658 0.383 . . . . 0.0 110.886 -178.552 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 61.9 mtt -61.09 -40.56 94.19 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 179.215 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 21.8 mmm -57.21 -60.9 2.93 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 178.966 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 45.1 m -51.51 -44.67 62.62 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.544 0.738 . . . . 0.0 109.498 177.256 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.14 -36.58 70.89 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.021 0.528 . . . . 0.0 110.667 179.341 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.89 -59.51 2.75 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 122.251 1.024 . . . . 0.0 108.658 178.763 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 72.5 t -49.72 -40.62 15.82 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 C-N-CA 126.926 2.09 . . . . 0.0 113.767 -176.651 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -57.04 -21.42 31.09 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 119.6 1.091 . . . . 0.0 113.088 -179.099 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 47.9 tttp -64.79 -30.78 71.8 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.645 0.657 . . . . 0.0 111.397 178.545 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -91.79 -177.22 4.69 Favored 'General case' 0 N--CA 1.436 -1.137 0 C-N-CA 125.488 1.515 . . . . 0.0 111.202 -175.937 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.6 t -136.82 169.14 18.25 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 128.023 2.529 . . . . 0.0 108.371 179.465 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -43.28 -49.68 6.71 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 125.632 1.573 . . . . 0.0 113.275 -176.944 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.45 -53.22 60.61 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 -179.13 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -57.07 -43.5 82.13 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 123.27 0.628 . . . . 0.0 109.614 179.187 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.7 mt -60.45 -49.52 77.26 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 118.981 0.81 . . . . 0.0 109.714 178.728 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -57.51 -46.21 84.06 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 121.951 -0.468 . . . . 0.0 109.784 179.421 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.09 -44.58 95.32 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 -179.744 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.501 HD22 ' HD1' ' A' ' 7' ' ' TYR . 15.0 mt -59.52 -48.25 82.37 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.432 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.95 -41.74 96.89 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 -179.552 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -55.59 -49.0 73.93 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 177.565 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -58.78 -61.32 2.71 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 178.379 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.402 ' SD ' ' CE1' ' A' ' 7' ' ' TYR . 68.6 mtm -49.78 -32.77 14.67 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 178.204 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.6 t -71.18 -30.8 66.87 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-O 118.442 -0.789 . . . . 0.0 111.248 -179.626 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 44.8 pttt -107.83 26.7 10.01 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.6 0.76 . . . . 0.0 109.996 179.044 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.603 HD23 ' HA ' ' A' ' 30' ' ' LYS . 39.4 tp . . . . . 0 C--O 1.252 1.218 0 C-N-CA 125.804 1.641 . . . . 0.0 110.435 179.295 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 CA--C 1.529 0.161 0 N-CA-C 112.527 0.566 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -49.48 -49.13 33.47 Favored Glycine 0 CA--C 1.527 0.808 0 N-CA-C 111.335 -0.706 . . . . 0.0 111.335 179.154 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.3 -25.63 15.55 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 112.891 0.701 . . . . 0.0 112.891 179.548 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -89.86 -22.17 22.18 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 118.908 0.776 . . . . 0.0 110.72 -179.58 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 67.6 mt -85.5 -34.88 21.47 Favored 'General case' 0 N--CA 1.435 -1.179 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 179.808 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.43 ' CD1' HD22 ' A' ' 72' ' ' LEU . 1.1 t80 -76.31 -8.22 56.62 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 115.932 1.827 . . . . 0.0 115.932 -177.887 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.3 mtmm -52.18 -45.8 65.27 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.056 -1.027 . . . . 0.0 112.377 -178.405 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.3 m -68.5 -6.81 27.26 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 -179.407 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 10.4 m -100.81 -37.36 8.73 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 126.672 1.989 . . . . 0.0 109.959 -177.228 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -47.32 -30.16 1.71 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 C-N-CA 125.198 1.399 . . . . 0.0 109.717 177.011 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -49.61 -47.09 37.83 Favored Glycine 0 CA--C 1.536 1.389 0 C-N-CA 123.939 0.781 . . . . 0.0 112.823 177.64 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.5 m -91.25 -45.65 8.51 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 118.666 1.233 . . . . 0.0 110.157 179.594 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 69.3 m-70 -70.33 -16.91 63.05 Favored 'General case' 0 N--CA 1.431 -1.412 0 C-N-CA 126.195 1.798 . . . . 0.0 115.684 -175.565 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.37 154.74 23.38 Favored Glycine 0 CA--C 1.528 0.867 0 N-CA-C 109.356 -1.498 . . . . 0.0 109.356 -178.112 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -34.93 -59.71 0.48 Allowed 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 126.139 1.776 . . . . 0.0 113.184 -178.339 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.1 p-10 -102.69 38.23 1.76 Allowed 'General case' 0 N--CA 1.438 -1.066 0 C-N-CA 125.861 1.665 . . . . 0.0 111.512 -179.429 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 47.48 30.22 6.02 Favored Glycine 0 CA--C 1.532 1.115 0 C-N-CA 124.904 1.24 . . . . 0.0 114.984 178.149 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.1 p -89.88 -29.71 18.37 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 126.728 2.011 . . . . 0.0 113.702 -176.216 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.88 131.92 41.98 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 -177.838 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.7 80.75 0.85 Allowed 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 179.905 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -37.94 133.07 0.9 Allowed 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 126.5 1.92 . . . . 0.0 115.255 -176.991 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 38.7 tpp 21.85 -82.23 0.0 OUTLIER 'General case' 0 C--N 1.345 0.376 0 C-N-CA 129.938 3.295 . . . . 0.0 113.107 179.468 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.0 46.26 2.08 Favored Glycine 0 CA--C 1.53 1.026 0 CA-C-O 119.644 -0.531 . . . . 0.0 112.141 179.133 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.9 m 47.16 53.39 10.77 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 126.852 2.061 . . . . 0.0 111.097 178.716 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.31 138.6 56.29 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 114.446 1.276 . . . . 0.0 114.446 -177.898 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.9 pttm -63.1 114.09 11.48 Favored Pre-proline 0 CA--C 1.542 0.638 0 N-CA-C 102.377 -3.194 . . . . 0.0 102.377 172.344 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -32.13 119.56 0.09 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.525 0 C-N-CA 124.568 3.512 . . . . 0.0 114.061 -175.374 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.436 HG23 HD21 ' A' ' 79' ' ' LEU . 28.9 m -66.17 -18.22 23.68 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.733 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 179.163 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 43.5 tptt -54.19 85.36 0.0 OUTLIER 'General case' 0 C--N 1.346 0.43 0 C-N-CA 126.856 2.062 . . . . 0.0 112.018 175.908 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 112.48 2.98 25.84 Favored Glycine 0 C--N 1.318 -0.438 0 CA-C-N 114.258 -1.337 . . . . 0.0 113.521 177.01 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -63.92 147.02 52.97 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 105.382 -2.081 . . . . 0.0 105.382 176.271 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -76.06 141.11 26.65 Favored Glycine 0 CA--C 1.529 0.913 0 O-C-N 120.674 -1.267 . . . . 0.0 114.097 -175.065 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -46.06 -48.43 16.93 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 119.797 1.798 . . . . 0.0 112.378 179.821 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.5 tm-20 -59.64 -44.1 93.62 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 -179.93 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -59.09 -63.3 1.35 Allowed 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 125.355 1.462 . . . . 0.0 107.846 179.694 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 49.1 mt -45.86 -49.62 15.21 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 126.925 2.09 . . . . 0.0 109.681 -179.87 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -66.54 -50.05 64.43 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 123.014 0.526 . . . . 0.0 112.323 -179.482 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -59.37 -40.71 87.38 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 121.525 0.679 . . . . 0.0 109.82 -178.918 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -69.97 -50.74 38.73 Favored 'General case' 0 N--CA 1.439 -1.017 0 C-N-CA 123.113 0.565 . . . . 0.0 110.174 -178.307 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 60.5 mtm -61.81 -37.08 83.07 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 118.481 -0.771 . . . . 0.0 109.638 178.574 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -58.33 -47.56 83.36 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 177.698 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.01 -45.52 92.28 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.313 -0.715 . . . . 0.0 111.313 177.458 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -66.54 -33.14 75.02 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 118.302 1.051 . . . . 0.0 109.905 177.669 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.22 -49.4 69.87 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 124.348 1.059 . . . . 0.0 109.518 -179.017 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.5 p30 -88.12 -15.94 34.8 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -177.528 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.98 5.4 62.58 Favored Glycine 0 CA--C 1.531 1.036 0 C-N-CA 124.029 0.823 . . . . 0.0 113.346 179.181 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.0 t -76.27 -8.76 57.77 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 118.722 1.261 . . . . 0.0 111.097 178.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 9.2 t80 . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 105.55 -2.019 . . . . 0.0 105.55 177.873 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.426 -1.665 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.54 -51.07 60.55 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 177.596 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 26.3 mmt -56.23 -47.81 77.73 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 177.61 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 35.7 mmm -50.99 -60.59 2.93 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.819 0.847 . . . . 0.0 110.509 178.579 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 33.1 m -52.65 -51.98 57.74 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 122.715 0.406 . . . . 0.0 109.915 -179.562 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -58.03 -33.4 68.93 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 111.655 0.243 . . . . 0.0 111.655 179.578 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -80.19 -60.55 2.29 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 -177.53 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.2 m -59.43 -30.19 43.81 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.104 0 CA-C-O 118.435 -0.793 . . . . 0.0 112.708 -169.993 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.55 -16.42 6.0 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 119.336 0.971 . . . . 0.0 112.575 179.947 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -65.1 -24.22 67.37 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 119.182 0.901 . . . . 0.0 110.491 176.403 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -98.19 144.63 27.44 Favored 'General case' 0 N--CA 1.432 -1.338 0 C-N-CA 126.955 2.102 . . . . 0.0 108.049 -179.596 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 58.1 p -90.82 169.45 10.93 Favored 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 127.43 2.292 . . . . 0.0 108.558 177.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -49.39 -44.02 44.74 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.817 0.735 . . . . 0.0 112.783 -179.294 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -60.62 -53.5 56.68 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 118.574 0.625 . . . . 0.0 109.799 179.408 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -55.64 -48.31 75.19 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.983 0.913 . . . . 0.0 109.843 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 66.1 mt -60.74 -46.06 91.89 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 124.367 1.067 . . . . 0.0 110.59 179.088 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.4 tptp -61.97 -42.77 99.5 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 179.184 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.23 -45.86 91.44 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.949 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.464 ' HA ' HD23 ' A' ' 72' ' ' LEU . 9.9 mt -54.86 -54.34 43.65 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 177.61 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.69 -45.84 88.59 Favored 'General case' 0 N--CA 1.452 -0.347 0 O-C-N 123.154 0.284 . . . . 0.0 110.511 -178.266 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -54.73 -49.23 71.28 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.213 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -59.87 -60.78 3.29 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 178.123 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 62.1 mtm -49.59 -35.87 22.22 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -179.743 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.6 t -56.7 -28.0 60.06 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.471 -0.768 . . . . 0.0 110.238 179.62 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -123.22 52.02 1.41 Allowed 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 105.197 -2.149 . . . . 0.0 105.197 175.12 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.436 HD21 HG23 ' A' ' 29' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.229 0 C-N-CA 127.05 2.14 . . . . 0.0 111.583 -178.374 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 CA--C 1.533 0.309 0 N-CA-C 112.16 0.429 . . . . 0.0 112.16 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -51.8 -49.37 47.97 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.661 -0.975 . . . . 0.0 110.661 179.618 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.76 -27.27 59.2 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 121.735 -0.862 . . . . 0.0 112.797 179.499 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.85 -48.66 10.52 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 179.715 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 79.3 mt -56.75 -41.86 78.3 Favored 'General case' 0 N--CA 1.442 -0.825 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 179.928 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.49 ' N ' HD21 ' A' ' 72' ' ' LEU . 2.0 t80 -67.94 -8.82 40.14 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 114.746 1.387 . . . . 0.0 114.746 -178.056 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 61.7 mtpt -50.03 -46.56 53.09 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 119.7 1.136 . . . . 0.0 111.954 -179.793 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.3 m -78.09 23.9 0.26 Allowed 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 113.547 0.943 . . . . 0.0 113.547 -178.178 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.1 m -128.36 -33.91 2.1 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 125.743 1.617 . . . . 0.0 109.335 -177.51 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.8 mm -44.85 -38.5 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.478 0 C-N-CA 126.219 1.808 . . . . 0.0 110.355 177.736 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -47.73 -37.8 14.8 Favored Glycine 0 CA--C 1.533 1.215 0 CA-C-O 119.42 -0.656 . . . . 0.0 113.131 178.846 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.0 m -105.19 -43.51 5.0 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 117.96 0.88 . . . . 0.0 111.524 179.867 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.496 ' CE1' HG21 ' A' ' 29' ' ' VAL . 93.3 m-70 -80.7 -29.47 36.47 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 115.024 1.49 . . . . 0.0 115.024 -175.635 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 89.08 151.78 24.74 Favored Glycine 0 CA--C 1.527 0.83 0 N-CA-C 109.732 -1.347 . . . . 0.0 109.732 -177.511 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.97 -26.11 24.13 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.465 1.106 . . . . 0.0 113.084 -178.939 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.0 p-10 -115.65 16.37 16.45 Favored 'General case' 0 N--CA 1.432 -1.35 0 C-N-CA 129.663 3.185 . . . . 0.0 112.331 -177.454 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.416 ' HA3' ' CD2' ' A' ' 79' ' ' LEU . . . 51.74 24.28 12.46 Favored Glycine 0 C--N 1.339 0.71 0 N-CA-C 116.633 1.413 . . . . 0.0 116.633 177.104 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 72.0 p -93.8 -19.18 21.27 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 118.156 0.978 . . . . 0.0 111.789 -178.56 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.7 mptt -75.54 116.38 16.2 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 106.617 -1.623 . . . . 0.0 106.617 -178.736 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.51 80.91 0.57 Allowed 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 -179.485 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -33.68 123.96 0.44 Allowed 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 126.381 1.872 . . . . 0.0 114.289 -176.71 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 22.4 mmt 13.48 -71.43 0.0 OUTLIER 'General case' 0 C--N 1.346 0.435 0 C-N-CA 131.246 3.818 . . . . 0.0 113.674 -179.35 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.38 44.08 1.62 Allowed Glycine 0 CA--C 1.534 1.28 0 CA-C-N 118.694 0.679 . . . . 0.0 111.53 176.963 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 27.9 m 46.34 51.43 11.52 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 127.382 2.273 . . . . 0.0 112.283 178.897 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.2 129.82 43.75 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 117.987 -1.485 . . . . 0.0 111.685 179.639 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -57.9 135.19 83.52 Favored Pre-proline 0 CA--C 1.542 0.66 0 N-CA-C 103.632 -2.729 . . . . 0.0 103.632 173.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_endo -39.6 106.56 0.06 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 124.067 3.178 . . . . 0.0 113.09 -174.099 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.496 HG21 ' CE1' ' A' ' 14' ' ' HIS . 52.9 t -55.96 -23.86 16.2 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 C-N-CA 123.863 0.865 . . . . 0.0 110.131 -179.188 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -43.95 90.97 0.0 OUTLIER 'General case' 0 C--N 1.341 0.214 0 CA-C-O 123.39 1.566 . . . . 0.0 113.525 175.404 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 71.75 48.33 28.76 Favored Glycine 0 N--CA 1.443 -0.868 0 CA-C-N 112.062 -2.335 . . . . 0.0 110.24 179.083 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.407 ' HB2' HD21 ' A' ' 37' ' ' LEU . 0.8 OUTLIER -53.78 -36.24 62.19 Favored 'General case' 0 CA--C 1.554 1.103 0 N-CA-C 107.357 -1.349 . . . . 0.0 107.357 179.36 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.18 -110.58 0.32 Allowed Glycine 0 CA--C 1.534 1.275 0 C-N-CA 129.653 3.502 . . . . 0.0 107.669 172.879 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -179.98 -63.76 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 130.349 3.46 . . . . 0.0 102.515 176.15 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 -62.06 -40.1 94.63 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 105.038 -2.208 . . . . 0.0 105.038 172.777 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -53.98 -66.38 0.41 Allowed 'General case' 0 C--N 1.342 0.28 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 176.817 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.407 HD21 ' HB2' ' A' ' 32' ' ' GLN . 8.9 mt -48.83 -42.16 35.29 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 124.921 1.288 . . . . 0.0 111.873 -179.376 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -71.94 -41.22 68.07 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 123.425 0.69 . . . . 0.0 111.566 -178.77 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -66.24 -41.18 90.37 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 -179.544 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 63.3 mmtt -64.53 -51.95 60.23 Favored 'General case' 0 N--CA 1.437 -1.116 0 C-N-CA 124.14 0.976 . . . . 0.0 108.515 -179.715 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 49.4 mtm -62.35 -38.2 88.6 Favored 'General case' 0 C--O 1.214 -0.801 0 CA-C-O 117.784 -1.103 . . . . 0.0 110.319 178.153 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -60.01 -46.39 89.65 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 120.935 1.698 . . . . 0.0 107.583 178.014 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -55.23 -42.59 82.72 Favored Glycine 0 CA--C 1.528 0.884 0 N-CA-C 111.784 -0.526 . . . . 0.0 111.784 177.437 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -74.85 -31.31 61.61 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 117.783 0.792 . . . . 0.0 110.145 177.413 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.56 -45.72 88.36 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 106.66 -1.607 . . . . 0.0 106.66 179.278 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -79.39 -39.39 32.62 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 177.074 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.21 -4.48 22.0 Favored Glycine 0 CA--C 1.53 0.994 0 C-N-CA 125.257 1.408 . . . . 0.0 114.128 177.219 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 27.0 t -72.86 -32.37 65.38 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 118.674 1.237 . . . . 0.0 111.94 -178.517 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 24.3 t80 . . . . . 0 C--N 1.342 0.268 0 CA-C-N 120.239 1.381 . . . . 0.0 108.4 179.627 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.438 -1.027 0 N-CA-C 112.434 0.531 . . . . 0.0 112.434 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.99 -54.2 29.19 Favored 'General case' 0 N--CA 1.456 -0.139 0 CA-C-N 118.259 0.481 . . . . 0.0 109.961 -179.468 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 17.0 tpt -56.95 -47.08 81.52 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 178.711 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 41.3 mmm -54.6 -61.44 2.31 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.704 179.056 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 52.4 m -47.5 -47.87 27.41 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 124.613 1.165 . . . . 0.0 109.969 177.961 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.6 -42.81 97.51 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 118.527 0.603 . . . . 0.0 110.921 179.678 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.27 -31.92 66.19 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.373 0.669 . . . . 0.0 112.669 -178.651 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 79.5 t -87.75 -47.52 15.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 126.169 1.787 . . . . 0.0 114.295 -175.533 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -52.16 -30.1 25.2 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.164 0.986 . . . . 0.0 112.39 -177.505 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.0 ptpp? -70.5 -14.69 62.62 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 118.914 -0.565 . . . . 0.0 112.516 179.288 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -102.41 156.73 17.4 Favored 'General case' 0 N--CA 1.437 -1.09 0 C-N-CA 124.998 1.319 . . . . 0.0 108.755 179.839 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 86.0 p -96.8 162.13 13.56 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 127.207 2.203 . . . . 0.0 109.645 179.519 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -49.44 -40.19 35.84 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 122.921 0.488 . . . . 0.0 112.093 179.885 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -60.65 -54.83 40.6 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 178.945 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -56.64 -48.13 78.22 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.445 0.698 . . . . 0.0 110.067 179.348 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 77.7 mt -58.86 -47.31 85.35 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.816 0.846 . . . . 0.0 110.509 179.346 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -63.32 -38.24 90.39 Favored 'General case' 0 N--CA 1.453 -0.302 0 O-C-N 121.395 -0.815 . . . . 0.0 109.93 179.727 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.41 -44.83 81.92 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 179.035 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.49 HD21 ' N ' ' A' ' 7' ' ' TYR . 9.9 mt -56.44 -50.08 72.71 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 177.815 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.08 -50.51 73.22 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 123.112 0.565 . . . . 0.0 109.86 -179.672 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -52.01 -44.55 64.19 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 176.861 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -63.5 -58.81 5.83 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 178.208 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 56.3 mtm -47.84 -31.24 4.78 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 176.66 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.6 t -59.62 -37.35 78.4 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.205 -0.934 . . . . 0.0 110.749 178.693 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -105.56 33.09 3.89 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.61 1.164 . . . . 0.0 110.415 -179.632 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.416 ' CD2' ' HA3' ' A' ' 18' ' ' GLY . 40.5 tp . . . . . 0 C--O 1.249 1.054 0 C-N-CA 125.261 1.424 . . . . 0.0 110.787 179.463 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 16.3 t0 . . . . . 0 CA--C 1.533 0.292 0 CA-C-O 120.739 0.304 . . . . 0.0 111.714 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -55.06 -43.04 83.16 Favored Glycine 0 CA--C 1.528 0.845 0 N-CA-C 110.383 -1.087 . . . . 0.0 110.383 177.894 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.0 -21.36 66.09 Favored 'General case' 0 N--CA 1.455 -0.191 0 O-C-N 121.788 -0.831 . . . . 0.0 112.374 179.519 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.16 -47.81 8.18 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 107.583 -1.266 . . . . 0.0 107.583 178.342 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 58.4 mt -57.71 -44.48 85.96 Favored 'General case' 0 N--CA 1.441 -0.925 0 CA-C-O 119.289 -0.386 . . . . 0.0 110.233 -179.325 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.413 ' N ' HD21 ' A' ' 72' ' ' LEU . 1.8 t80 -71.53 -8.94 57.13 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 115.568 1.692 . . . . 0.0 115.568 -177.447 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.51 -37.21 72.62 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 119.995 1.271 . . . . 0.0 111.531 -178.47 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.9 m -70.82 -10.58 59.83 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 121.484 -0.76 . . . . 0.0 112.789 179.269 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.5 m -99.47 -34.13 10.39 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 126.607 1.963 . . . . 0.0 110.165 -178.161 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.2 tp -46.52 -30.32 1.25 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 C-N-CA 126.151 1.78 . . . . 0.0 110.773 179.001 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -57.87 -46.69 92.11 Favored Glycine 0 CA--C 1.535 1.324 0 O-C-N 121.514 -0.742 . . . . 0.0 111.514 177.72 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.2 m -83.64 -44.13 14.87 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 117.72 0.76 . . . . 0.0 110.251 -179.758 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -79.67 -12.25 59.82 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 115.057 1.503 . . . . 0.0 115.057 -176.167 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.48 157.6 32.57 Favored Glycine 0 CA--C 1.524 0.637 0 O-C-N 120.904 -1.122 . . . . 0.0 110.996 -179.764 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -32.82 -58.99 0.35 Allowed 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 127.037 2.135 . . . . 0.0 113.658 -178.459 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -110.97 33.96 4.3 Favored 'General case' 0 N--CA 1.444 -0.731 0 C-N-CA 125.801 1.641 . . . . 0.0 111.226 -179.647 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 58.77 28.89 63.69 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 121.63 -0.669 . . . . 0.0 112.953 179.642 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.9 p -91.18 -26.58 18.99 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 126.155 1.782 . . . . 0.0 113.204 -177.462 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.05 128.9 37.17 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 -178.663 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.9 84.61 1.24 Allowed 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 105.917 -1.882 . . . . 0.0 105.917 176.824 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -41.72 128.83 3.35 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 124.974 1.309 . . . . 0.0 114.334 -175.374 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 88.8 mmm 22.66 -76.72 0.0 OUTLIER 'General case' 0 C--N 1.342 0.281 0 C-N-CA 131.483 3.913 . . . . 0.0 115.552 178.821 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -53.68 -34.58 50.52 Favored Glycine 0 CA--C 1.528 0.874 0 N-CA-C 111.766 -0.534 . . . . 0.0 111.766 179.564 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 68.1 m 120.12 57.61 0.0 OUTLIER 'General case' 0 N--CA 1.456 -0.15 1 C-N-CA 132.033 4.133 . . . . 0.0 107.354 179.639 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.29 136.85 53.11 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 119.422 -0.911 . . . . 0.0 112.444 -179.723 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.9 pttp -59.28 139.03 88.54 Favored Pre-proline 0 CA--C 1.545 0.772 0 N-CA-C 103.386 -2.82 . . . . 0.0 103.386 172.005 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_endo -46.37 109.38 0.2 Allowed 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 122.985 2.457 . . . . 0.0 113.575 -174.399 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.6 t -55.61 -26.31 19.58 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 C-N-CA 123.964 0.906 . . . . 0.0 109.05 179.414 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.4 tptt -49.55 88.02 0.0 OUTLIER 'General case' 0 C--N 1.343 0.316 0 C-N-CA 126.455 1.902 . . . . 0.0 112.292 176.854 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 76.18 43.72 20.22 Favored Glycine 0 N--CA 1.444 -0.811 0 CA-C-N 112.636 -2.074 . . . . 0.0 110.403 179.296 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -54.06 -35.02 61.57 Favored 'General case' 0 CA--C 1.551 0.986 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 178.516 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 163.21 -129.21 1.98 Allowed Glycine 0 CA--C 1.531 1.078 1 C-N-CA 130.864 4.078 . . . . 0.0 104.469 176.725 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -155.75 -61.6 0.11 Allowed 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 102.406 -3.183 . . . . 0.0 102.406 173.497 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -56.85 -35.74 69.22 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 106.716 -1.586 . . . . 0.0 106.716 173.746 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.7 tp10 -54.65 -73.53 0.05 OUTLIER 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 125.427 1.491 . . . . 0.0 107.873 177.838 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mp -51.76 -38.4 55.28 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.216 -177.746 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -66.62 -42.24 87.12 Favored 'General case' 0 N--CA 1.447 -0.625 0 CA-C-N 118.127 0.421 . . . . 0.0 110.972 179.63 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -67.82 -41.98 82.19 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 -179.343 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.7 mmtp -65.85 -44.68 84.76 Favored 'General case' 0 N--CA 1.436 -1.174 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 -179.14 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 61.4 mtm -67.18 -37.52 83.85 Favored 'General case' 0 C--O 1.218 -0.569 0 CA-C-O 118.246 -0.883 . . . . 0.0 109.711 177.804 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -58.54 -42.88 88.83 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 106.734 -1.58 . . . . 0.0 106.734 176.704 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.39 -56.42 25.18 Favored Glycine 0 CA--C 1.532 1.104 0 N-CA-C 110.275 -1.13 . . . . 0.0 110.275 176.648 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -61.71 -33.33 73.82 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.869 1.334 . . . . 0.0 112.156 -179.686 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.24 -52.7 42.23 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 124.889 1.275 . . . . 0.0 109.36 -178.838 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.25 -40.04 17.07 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 178.757 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 119.06 26.19 2.56 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 126.218 1.866 . . . . 0.0 112.316 -179.791 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.3 t -100.15 35.51 2.06 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.892 1.277 . . . . 0.0 111.485 -179.672 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 27.3 t80 . . . . . 0 C--O 1.231 0.092 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 177.349 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.0 pttp . . . . . 0 N--CA 1.441 -0.886 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.4 -50.5 63.23 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 123.482 0.713 . . . . 0.0 110.392 -178.532 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -59.51 -44.29 93.16 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 107.329 -1.36 . . . . 0.0 107.329 178.757 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 33.6 mmm -56.32 -62.82 1.46 Allowed 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.409 178.595 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 53.0 m -44.82 -51.39 9.54 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 125.419 1.487 . . . . 0.0 109.675 177.47 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -58.88 -45.32 90.47 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 122.081 -0.387 . . . . 0.0 111.564 179.793 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.7 -26.44 62.5 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -178.247 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 56.3 t -89.37 -49.41 13.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 C-N-CA 125.623 1.569 . . . . 0.0 113.135 -177.264 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 25.7 tttp -49.73 -29.04 6.91 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.386 1.475 . . . . 0.0 112.96 -177.429 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.0 -25.23 66.99 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 179.309 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -88.82 165.48 14.64 Favored 'General case' 0 N--CA 1.436 -1.159 0 CA-C-O 123.605 1.669 . . . . 0.0 110.989 -178.756 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 89.8 p -100.83 161.43 13.6 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 128.208 2.603 . . . . 0.0 108.548 178.614 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -52.34 -41.66 63.22 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 111.902 0.334 . . . . 0.0 111.902 -179.199 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -59.4 -53.84 53.61 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.346 0.658 . . . . 0.0 109.352 178.877 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -56.8 -46.06 81.8 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 122.897 0.479 . . . . 0.0 109.834 179.073 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 47.9 mt -58.14 -48.52 80.0 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.361 0.664 . . . . 0.0 110.565 178.992 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.4 ttpp -60.9 -47.26 87.19 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.327 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.92 -43.69 94.74 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 -178.832 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.413 HD21 ' N ' ' A' ' 7' ' ' TYR . 11.1 mt -56.92 -60.24 3.86 Favored 'General case' 0 N--CA 1.441 -0.918 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 177.877 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -50.01 -48.22 52.61 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 118.211 0.46 . . . . 0.0 111.223 -178.568 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -52.17 -46.83 65.67 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 108.739 -0.838 . . . . 0.0 108.739 177.297 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -63.96 -53.89 43.15 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-O 118.38 -0.819 . . . . 0.0 109.22 177.466 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.5 mpp? -48.89 -32.85 9.61 Favored 'General case' 0 C--N 1.346 0.419 0 CA-C-N 119.637 1.108 . . . . 0.0 112.659 178.415 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.5 t -55.52 -32.7 63.13 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.805 -0.559 . . . . 0.0 111.819 178.66 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.1 ttpp -141.44 67.82 1.34 Allowed 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 123.945 0.898 . . . . 0.0 108.728 179.174 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.251 1.169 0 CA-C-O 117.225 -1.369 . . . . 0.0 111.793 178.47 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 . . . . . 0 CA--C 1.523 -0.066 0 N-CA-C 107.232 -1.395 . . . . 0.0 107.232 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.8 73.06 0.97 Allowed Glycine 0 N--CA 1.439 -1.155 1 N-CA-C 100.713 -4.955 . . . . 0.0 100.713 -170.281 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 131.2 -50.88 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.4 1 C-N-CA 131.971 4.109 . . . . 0.0 106.476 -174.827 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.25 -26.12 60.99 Favored 'General case' 0 C--N 1.345 0.401 0 C-N-CA 119.493 -0.883 . . . . 0.0 111.13 -178.026 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.426 ' C ' HD21 ' A' ' 72' ' ' LEU . 17.5 mt -81.12 -34.31 32.62 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 118.8 0.727 . . . . 0.0 110.081 -179.925 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.485 ' N ' HD21 ' A' ' 72' ' ' LEU . 1.9 t80 -75.34 -10.87 59.85 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 115.177 1.547 . . . . 0.0 115.177 -177.766 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -49.21 -43.18 42.17 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.378 -0.826 . . . . 0.0 112.745 -179.217 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.4 m -74.68 -5.29 42.35 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 113.542 0.941 . . . . 0.0 113.542 -177.852 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.7 m -101.28 -36.88 8.74 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 126.767 2.027 . . . . 0.0 109.595 -177.26 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -46.3 -31.72 1.44 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 C-N-CA 125.659 1.584 . . . . 0.0 109.516 176.889 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -52.1 -44.31 56.79 Favored Glycine 0 CA--C 1.537 1.408 0 CA-C-O 119.387 -0.674 . . . . 0.0 112.546 177.655 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.6 m -96.48 -44.92 6.97 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 118.344 1.072 . . . . 0.0 110.526 179.547 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.409 ' HB3' ' HA2' ' A' ' 18' ' ' GLY . 95.4 m-70 -74.86 -17.39 60.6 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 114.193 1.183 . . . . 0.0 114.193 -175.726 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.13 159.78 34.28 Favored Glycine 0 CA--C 1.529 0.917 0 N-CA-C 110.518 -1.033 . . . . 0.0 110.518 -179.302 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -32.89 -58.45 0.36 Allowed 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 127.027 2.131 . . . . 0.0 113.873 -178.311 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.9 p-10 -110.73 43.57 1.4 Allowed 'General case' 0 N--CA 1.437 -1.113 0 C-N-CA 127.27 2.228 . . . . 0.0 109.59 -179.151 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.409 ' HA2' ' HB3' ' A' ' 14' ' ' HIS . . . 37.67 29.89 0.05 OUTLIER Glycine 0 CA--C 1.535 1.299 0 C-N-CA 127.177 2.322 . . . . 0.0 115.622 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.1 p -79.36 -31.35 42.91 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 126.442 1.897 . . . . 0.0 113.305 -178.454 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -71.65 129.9 39.84 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 121.734 0.778 . . . . 0.0 110.094 -178.457 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.52 83.79 0.42 Allowed 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 106.04 -1.837 . . . . 0.0 106.04 176.158 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -43.25 140.35 1.59 Allowed 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 126.264 1.826 . . . . 0.0 115.679 -176.859 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 11.1 tpt 29.49 -89.63 0.0 OUTLIER 'General case' 0 C--N 1.339 0.137 0 C-N-CA 129.066 2.946 . . . . 0.0 113.574 178.573 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.61 42.38 1.75 Allowed Glycine 0 CA--C 1.528 0.902 0 CA-C-N 118.708 0.685 . . . . 0.0 112.361 -179.757 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.9 m 51.65 57.95 6.01 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 125.295 1.438 . . . . 0.0 109.774 -178.868 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.38 151.65 9.73 Favored 'General case' 0 N--CA 1.442 -0.858 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 -178.545 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm -56.01 124.75 60.61 Favored Pre-proline 0 CA--C 1.537 0.462 0 N-CA-C 102.722 -3.066 . . . . 0.0 102.722 172.445 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_endo -47.75 115.66 1.54 Allowed 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 121.946 1.764 . . . . 0.0 110.158 -176.707 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 71.8 t -59.6 -40.87 83.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 N-CA-C 107.173 -1.417 . . . . 0.0 107.173 -178.228 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.4 tmtm? -58.09 101.66 0.08 Allowed 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 121.784 0.802 . . . . 0.0 109.679 172.33 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 122.47 -17.75 8.33 Favored Glycine 0 N--CA 1.45 -0.411 0 CA-C-N 113.759 -1.564 . . . . 0.0 111.625 178.786 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -66.13 142.7 57.67 Favored 'General case' 0 N--CA 1.44 -0.953 0 N-CA-C 106.481 -1.674 . . . . 0.0 106.481 178.216 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -82.46 141.96 21.64 Favored Glycine 0 CA--C 1.525 0.715 0 CA-C-O 119.061 -0.855 . . . . 0.0 112.741 -176.076 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -43.94 -55.55 4.53 Favored 'General case' 0 CA--C 1.518 -0.287 0 C-N-CA 126.354 1.862 . . . . 0.0 111.403 -179.113 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -53.85 -48.78 69.64 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 -179.453 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -58.88 -54.94 41.46 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 123.654 0.781 . . . . 0.0 109.861 -179.312 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 24.5 mt -51.6 -48.71 63.11 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 125.152 1.381 . . . . 0.0 110.22 179.693 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.79 -53.26 58.32 Favored 'General case' 0 C--O 1.223 -0.309 0 C-N-CA 124.235 1.014 . . . . 0.0 110.177 -179.397 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -54.31 -53.07 58.79 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 124.979 1.312 . . . . 0.0 109.926 -178.265 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -58.47 -49.76 76.16 Favored 'General case' 0 N--CA 1.435 -1.179 0 C-N-CA 125.471 1.508 . . . . 0.0 109.505 179.188 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 56.7 mtm -61.72 -38.39 87.72 Favored 'General case' 0 C--O 1.219 -0.528 0 CA-C-O 118.307 -0.854 . . . . 0.0 110.364 178.281 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.1 tptp -60.01 -42.32 94.06 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 107.328 -1.36 . . . . 0.0 107.328 178.55 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -56.36 -55.09 31.38 Favored Glycine 0 CA--C 1.527 0.837 0 N-CA-C 110.592 -1.003 . . . . 0.0 110.592 177.086 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.425 ' CE1' ' CD2' ' A' ' 49' ' ' TYR . 19.8 m-85 -61.31 -45.73 93.24 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 118.419 1.109 . . . . 0.0 109.998 179.759 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.08 -45.47 61.45 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 125.88 1.672 . . . . 0.0 109.566 179.658 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -89.91 3.53 52.77 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.518 0.727 . . . . 0.0 112.288 -178.331 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 60.1 27.87 65.62 Favored Glycine 0 CA--C 1.535 1.286 0 CA-C-N 119.123 0.874 . . . . 0.0 111.548 -177.888 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.7 t -107.25 20.04 19.51 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.724 1.61 . . . . 0.0 111.006 -179.509 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.425 ' CD2' ' CE1' ' A' ' 44' ' ' TYR . 7.8 t80 . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 103.859 -2.645 . . . . 0.0 103.859 179.196 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.425 -1.722 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.87 -43.41 94.71 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 120.321 1.419 . . . . 0.0 108.29 176.941 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 65.0 mtt -60.64 -46.79 88.97 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 178.492 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 43.3 mmm -54.85 -58.73 6.42 Favored 'General case' 0 C--O 1.223 -0.303 0 C-N-CA 123.182 0.593 . . . . 0.0 109.85 178.402 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 41.2 m -46.09 -48.25 17.1 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 125.079 1.352 . . . . 0.0 109.534 177.744 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.53 -42.74 99.72 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 118.082 0.401 . . . . 0.0 110.65 178.831 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.75 -27.57 66.03 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.42 1.088 . . . . 0.0 112.604 -179.498 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 60.3 t -92.54 -42.98 13.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 125.947 1.699 . . . . 0.0 113.737 -175.967 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 55.0 mttm -55.37 -27.6 48.48 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 119.61 1.095 . . . . 0.0 113.056 -178.144 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.6 ptpp? -69.73 -13.48 62.31 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 178.104 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -103.17 -173.89 2.42 Favored 'General case' 0 N--CA 1.441 -0.892 0 C-N-CA 125.936 1.694 . . . . 0.0 107.995 178.728 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 28.9 t -156.44 166.31 33.78 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 126.205 1.802 . . . . 0.0 107.749 -178.565 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -29.43 -52.82 0.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 127.313 2.245 . . . . 0.0 114.701 -176.549 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -62.17 -52.02 65.48 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 121.603 0.716 . . . . 0.0 110.88 -178.65 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 33.9 mp0 -63.47 -43.44 97.3 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 123.679 0.792 . . . . 0.0 109.371 -179.777 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 87.5 mt -59.88 -46.6 88.8 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.137 0.575 . . . . 0.0 109.685 179.083 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.6 ttpp -58.41 -49.75 76.16 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 177.755 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.87 -45.73 82.3 Favored 'General case' 0 C--N 1.341 0.2 0 C-N-CA 123.431 0.693 . . . . 0.0 109.587 -179.866 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.485 HD21 ' N ' ' A' ' 7' ' ' TYR . 16.4 mt -61.49 -49.4 76.93 Favored 'General case' 0 N--CA 1.443 -0.818 0 O-C-N 121.964 -0.46 . . . . 0.0 111.416 179.542 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.22 -41.68 93.57 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 -179.653 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -56.43 -45.92 80.52 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 177.408 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -60.69 -61.44 2.58 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 178.112 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.4 ' SD ' ' CE1' ' A' ' 7' ' ' TYR . 56.0 mtm -48.7 -41.95 33.36 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 178.97 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.1 t -65.32 -13.42 58.45 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 117.629 -1.177 . . . . 0.0 113.174 -178.649 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 37.4 mtmm -90.75 -3.71 57.24 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 119.729 1.149 . . . . 0.0 111.017 177.67 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.9 mp . . . . . 0 C--O 1.252 1.207 0 CA-C-O 117.202 -1.38 . . . . 0.0 109.236 176.875 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 63.7 t0 . . . . . 0 C--O 1.226 -0.175 0 CA-C-O 119.478 -0.296 . . . . 0.0 111.452 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -51.28 -39.38 43.0 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 109.061 -1.615 . . . . 0.0 109.061 176.177 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.405 ' HB2' ' CE1' ' A' ' 75' ' ' TYR . . . -55.8 -22.5 24.97 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 117.577 -1.202 . . . . 0.0 113.376 179.244 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -95.2 -14.92 23.66 Favored 'General case' 0 C--N 1.345 0.408 0 CA-C-N 120.613 1.551 . . . . 0.0 109.946 -178.146 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.43 -40.62 11.93 Favored 'General case' 0 N--CA 1.428 -1.559 0 C-N-CA 125.117 1.367 . . . . 0.0 107.613 -178.342 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -67.84 -12.99 61.76 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 -179.765 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -49.95 -47.06 52.77 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 119.723 1.147 . . . . 0.0 112.833 -179.629 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.0 p -65.25 -24.07 67.23 Favored 'General case' 0 CA--C 1.533 0.31 0 O-C-N 121.546 -0.721 . . . . 0.0 112.662 -179.586 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.2 m -85.22 -37.82 19.65 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 126.68 1.992 . . . . 0.0 109.702 -176.26 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -45.97 -31.43 1.24 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 C-N-CA 126.463 1.905 . . . . 0.0 110.736 179.32 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -58.02 -42.45 94.97 Favored Glycine 0 CA--C 1.535 1.34 0 O-C-N 121.114 -0.991 . . . . 0.0 112.292 178.163 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.5 t -93.11 -44.72 8.23 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 123.831 0.852 . . . . 0.0 110.044 -179.392 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 -73.96 -9.31 58.51 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.435 1.094 . . . . 0.0 112.937 -178.951 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 71.85 179.67 32.92 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 111.423 -0.671 . . . . 0.0 111.423 179.75 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.35 99.24 0.04 OUTLIER 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 114.426 -0.887 . . . . 0.0 110.122 179.944 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.401 ' HB3' HD22 ' A' ' 79' ' ' LEU . 54.4 m-20 59.56 62.56 1.72 Allowed 'General case' 0 N--CA 1.437 -1.102 0 C-N-CA 126.609 1.964 . . . . 0.0 110.695 175.873 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 57.5 19.14 32.91 Favored Glycine 0 C--N 1.339 0.699 0 C-N-CA 125.925 1.726 . . . . 0.0 116.724 176.327 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.7 m -80.43 -26.77 38.22 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 118.431 1.115 . . . . 0.0 113.712 -178.471 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -91.37 135.99 33.42 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-N 119.272 0.942 . . . . 0.0 110.377 -178.098 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.5 80.67 2.53 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.835 179.937 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.402 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -26.28 118.46 0.07 Allowed 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 128.135 2.574 . . . . 0.0 112.886 179.031 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 20.8 mmt 14.54 -71.38 0.0 OUTLIER 'General case' 0 C--N 1.349 0.562 0 C-N-CA 131.022 3.729 . . . . 0.0 114.503 -178.165 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.08 41.3 1.08 Allowed Glycine 0 CA--C 1.533 1.157 0 CA-C-N 118.892 0.769 . . . . 0.0 111.949 177.706 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 31.2 m 49.63 52.72 14.02 Favored 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 127.099 2.16 . . . . 0.0 111.416 179.467 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.402 ' HB2' ' HB3' ' A' ' 22' ' ' ALA . . . -56.65 135.88 54.91 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 117.778 -1.569 . . . . 0.0 112.231 179.436 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -59.94 118.09 29.3 Favored Pre-proline 0 C--O 1.236 0.344 0 N-CA-C 101.819 -3.4 . . . . 0.0 101.819 173.527 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_exo -31.55 118.29 0.07 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.812 0 C-N-CA 124.123 3.215 . . . . 0.0 112.702 -174.783 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.2 t -59.71 -33.29 51.64 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 N-CA-C 106.171 -1.788 . . . . 0.0 106.171 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 43.8 tttp -61.08 99.92 0.11 Allowed 'General case' 0 N--CA 1.448 -0.549 0 CA-C-O 121.68 0.753 . . . . 0.0 109.899 173.995 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 123.84 -16.26 7.83 Favored Glycine 0 CA--C 1.522 0.491 0 CA-C-N 114.008 -1.451 . . . . 0.0 111.601 178.945 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -67.57 149.04 50.64 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 178.763 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -85.63 146.18 21.4 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 121.208 -0.933 . . . . 0.0 114.516 -175.808 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -49.1 -49.46 41.68 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 118.933 1.366 . . . . 0.0 111.955 -179.347 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -55.9 -48.24 76.01 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 179.734 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -56.37 -64.5 0.84 Allowed 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 124.741 1.216 . . . . 0.0 108.13 179.071 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.3 mt -49.36 -43.38 43.92 Favored 'General case' 0 N--CA 1.444 -0.73 0 C-N-CA 125.736 1.614 . . . . 0.0 112.171 -178.848 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -71.99 -42.11 66.84 Favored 'General case' 0 N--CA 1.445 -0.688 0 O-C-N 121.844 -0.535 . . . . 0.0 110.413 -178.608 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.7 tttp -62.64 -41.28 98.95 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 179.771 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.0 mmtp -67.81 -49.03 64.53 Favored 'General case' 0 N--CA 1.434 -1.228 0 C-N-CA 123.082 0.553 . . . . 0.0 110.231 -178.421 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 69.2 mtm -65.53 -37.29 86.31 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.721 179.44 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -59.47 -45.68 90.96 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 105.971 -1.863 . . . . 0.0 105.971 176.251 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -53.6 -56.63 19.17 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 110.646 -0.982 . . . . 0.0 110.646 177.339 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -62.12 -46.17 90.24 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 118.852 1.326 . . . . 0.0 110.672 -179.614 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.02 -46.05 52.54 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.995 1.318 . . . . 0.0 109.299 179.244 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -92.13 10.3 29.89 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.45 1.1 . . . . 0.0 112.628 -179.259 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 52.6 36.2 47.43 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 124.55 1.072 . . . . 0.0 113.32 -179.796 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 21.9 t -123.21 33.93 5.25 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.74 1.616 . . . . 0.0 112.286 -178.26 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 41.8 t80 . . . . . 0 C--O 1.231 0.082 0 N-CA-C 107.429 -1.323 . . . . 0.0 107.429 178.756 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.3 pttm . . . . . 0 N--CA 1.441 -0.879 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.87 -53.96 46.18 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 122.908 0.483 . . . . 0.0 109.824 -178.81 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -57.68 -46.38 84.38 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 178.928 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 17.1 mmm -55.73 -51.49 67.15 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 123.55 0.74 . . . . 0.0 111.592 179.428 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 82.4 m -56.63 -51.0 70.37 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 179.008 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.46 -35.6 70.36 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 178.476 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.86 -50.45 64.49 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 123.457 0.703 . . . . 0.0 111.142 -179.442 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.3 m -81.5 -27.49 10.19 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 C-N-CA 119.346 -0.941 . . . . 0.0 112.403 -176.153 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -70.24 77.89 0.53 Allowed 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 122.923 1.344 . . . . 0.0 111.761 -178.526 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.1 pttt -168.44 -35.57 0.02 OUTLIER 'General case' 0 N--CA 1.445 -0.718 1 C-N-CA 132.696 4.399 . . . . 0.0 106.655 177.692 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -78.51 -174.66 3.93 Favored 'General case' 0 N--CA 1.435 -1.205 0 CA-C-O 123.176 1.465 . . . . 0.0 109.037 177.205 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 28.6 t -154.27 169.59 23.3 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 128.515 2.726 . . . . 0.0 106.287 -178.5 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -36.31 -52.18 0.81 Allowed 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 125.563 1.545 . . . . 0.0 114.256 -176.651 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -61.74 -53.71 52.39 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 121.166 0.508 . . . . 0.0 110.51 -178.36 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -59.28 -43.74 92.52 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.391 0.676 . . . . 0.0 109.721 179.961 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 48.6 mt -61.19 -47.29 86.84 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.812 0.845 . . . . 0.0 110.212 179.434 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -62.25 -41.06 98.11 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 179.047 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.1 -46.38 84.49 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.746 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 72' ' ' LEU . 13.3 mt -54.64 -58.64 6.71 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 177.797 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.07 -39.94 69.8 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 118.851 -0.595 . . . . 0.0 110.352 -177.841 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -58.39 -50.12 74.83 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 177.463 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.405 ' CE1' ' HB2' ' A' ' 4' ' ' ALA . 75.9 t80 -57.83 -59.59 5.01 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 178.679 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.2 mtp -51.87 -38.39 55.89 Favored 'General case' 0 CA--C 1.539 0.558 0 O-C-N 121.567 -0.708 . . . . 0.0 112.776 178.282 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.8 t -73.91 -9.5 58.7 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 120.812 -1.18 . . . . 0.0 112.711 179.556 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 24.1 ttpp -94.15 -5.26 47.53 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 177.827 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.401 HD22 ' HB3' ' A' ' 17' ' ' ASP . 91.9 mt . . . . . 0 C--O 1.25 1.107 0 CA-C-O 117.124 -1.417 . . . . 0.0 109.581 178.084 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 CA--C 1.529 0.138 0 CA-C-O 121.87 0.843 . . . . 0.0 112.717 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -50.88 -50.83 36.55 Favored Glycine 0 CA--C 1.526 0.768 0 CA-C-N 115.337 -0.847 . . . . 0.0 112.005 -179.098 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.0 -19.87 63.3 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.717 -0.872 . . . . 0.0 112.986 -179.423 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.81 -49.3 6.91 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 178.608 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.455 ' HB2' HD21 ' A' ' 72' ' ' LEU . 89.4 mt -58.51 -44.68 89.58 Favored 'General case' 0 N--CA 1.439 -0.977 0 CA-C-O 119.245 -0.407 . . . . 0.0 110.384 -179.395 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.488 ' HD1' HD22 ' A' ' 72' ' ' LEU . 1.5 t80 -63.94 -13.82 48.82 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 118.445 -1.302 . . . . 0.0 114.41 -177.912 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -59.32 -31.79 69.48 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 119.804 1.184 . . . . 0.0 110.185 177.915 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.2 m -75.45 -3.13 32.12 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.69 -0.631 . . . . 0.0 112.689 179.094 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.4 m -111.77 -35.46 5.73 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 126.77 2.028 . . . . 0.0 111.162 -176.899 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.8 tp -41.56 -34.51 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 C-N-CA 126.44 1.896 . . . . 0.0 112.523 -179.269 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -50.21 -46.09 43.47 Favored Glycine 0 CA--C 1.533 1.171 0 C-N-CA 123.725 0.679 . . . . 0.0 112.816 179.242 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 10.6 m -85.79 -43.94 12.91 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 118.104 0.952 . . . . 0.0 110.674 -179.5 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 69.6 m-70 -74.32 -10.91 60.06 Favored 'General case' 0 N--CA 1.434 -1.25 0 C-N-CA 126.621 1.968 . . . . 0.0 115.768 -176.121 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.15 147.49 3.94 Favored Glycine 0 CA--C 1.527 0.806 0 N-CA-C 109.662 -1.375 . . . . 0.0 109.662 -179.045 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.67 64.25 4.48 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 106.648 -1.612 . . . . 0.0 106.648 176.632 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.6 p30 179.17 -21.38 0.0 OUTLIER 'General case' 0 N--CA 1.435 -1.208 0 C-N-CA 129.915 3.286 . . . . 0.0 112.241 -174.567 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.519 ' HA3' ' CD2' ' A' ' 79' ' ' LEU . . . 69.12 -1.05 12.29 Favored Glycine 0 C--N 1.339 0.75 0 CA-C-N 120.3 1.409 . . . . 0.0 115.521 179.305 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.9 p -89.63 -27.43 20.18 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 123.98 0.912 . . . . 0.0 109.386 179.552 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.0 tttm -58.85 115.82 3.35 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 178.195 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.08 83.39 0.22 Allowed 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 -179.771 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -36.23 128.65 0.73 Allowed 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 126.321 1.848 . . . . 0.0 114.598 -177.181 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 26.4 mmt 24.38 -82.03 0.0 OUTLIER 'General case' 0 C--N 1.343 0.295 0 C-N-CA 130.197 3.399 . . . . 0.0 113.154 179.073 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.95 46.37 2.08 Favored Glycine 0 CA--C 1.532 1.096 0 N-CA-C 111.835 -0.506 . . . . 0.0 111.835 178.749 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.4 m 49.02 54.95 10.05 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 126.419 1.888 . . . . 0.0 111.43 178.207 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.12 146.74 37.65 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 -178.604 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.2 mtmm -60.37 127.26 86.2 Favored Pre-proline 0 CA--C 1.537 0.468 0 N-CA-C 103.737 -2.69 . . . . 0.0 103.737 173.938 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo -46.51 108.34 0.15 Allowed 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 123.167 2.578 . . . . 0.0 110.268 -176.757 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.1 t -57.54 -38.73 65.32 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 C-N-CA 123.956 0.902 . . . . 0.0 109.149 -177.118 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.1 ttmm -38.97 100.29 0.02 OUTLIER 'General case' 0 C--N 1.342 0.251 0 CA-C-O 122.896 1.331 . . . . 0.0 113.821 179.869 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 59.21 45.64 95.05 Favored Glycine 0 N--CA 1.444 -0.78 0 CA-C-N 112.463 -2.153 . . . . 0.0 110.139 177.664 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.424 ' HB2' HD21 ' A' ' 37' ' ' LEU . 2.1 mt-30 -55.34 -44.44 75.9 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 -178.919 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -172.83 -107.27 0.2 Allowed Glycine 0 CA--C 1.531 1.039 0 C-N-CA 128.008 2.718 . . . . 0.0 106.335 174.648 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 174.7 -56.8 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 130.874 3.669 . . . . 0.0 101.946 176.851 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -64.24 -42.21 96.64 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 105.682 -1.97 . . . . 0.0 105.682 173.075 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -57.97 -64.2 0.99 Allowed 'General case' 0 C--N 1.343 0.319 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 177.759 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.424 HD21 ' HB2' ' A' ' 32' ' ' GLN . 24.3 mt -45.76 -48.83 15.38 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 125.213 1.405 . . . . 0.0 110.626 179.008 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -61.37 -55.23 33.87 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 123.959 0.903 . . . . 0.0 111.378 179.668 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -56.55 -42.17 78.08 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.139 0.575 . . . . 0.0 110.007 -179.244 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 57.5 mmtt -64.56 -55.33 21.16 Favored 'General case' 0 N--CA 1.438 -1.055 0 C-N-CA 123.637 0.775 . . . . 0.0 110.176 -178.736 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.52 -39.91 89.56 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 -179.444 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -60.55 -43.6 97.05 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 178.058 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -51.84 -46.66 54.69 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 109.619 -1.392 . . . . 0.0 109.619 176.629 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -69.57 -40.49 76.72 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 118.11 0.955 . . . . 0.0 109.977 177.995 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.09 -52.99 59.24 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 124.568 1.147 . . . . 0.0 110.621 -179.703 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -81.33 -26.68 35.42 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.191 0.597 . . . . 0.0 110.942 179.651 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.45 5.89 55.42 Favored Glycine 0 CA--C 1.53 1.016 0 C-N-CA 124.629 1.109 . . . . 0.0 113.958 178.21 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.2 t -84.9 28.38 0.69 Allowed 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 119.206 1.503 . . . . 0.0 111.492 -179.853 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 13.2 t80 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 105.03 -2.211 . . . . 0.0 105.03 -179.747 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.7 mtmt . . . . . 0 N--CA 1.434 -1.251 0 N-CA-C 110.523 -0.177 . . . . 0.0 110.523 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.13 -47.2 65.72 Favored 'General case' 0 C--O 1.233 0.21 0 O-C-N 120.81 -1.181 . . . . 0.0 108.117 178.062 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.6 mpp? -57.67 -44.55 85.83 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.981 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 31.3 mmm -52.99 -64.11 0.93 Allowed 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 124.066 0.946 . . . . 0.0 109.134 177.801 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 90.4 m -44.28 -50.58 8.89 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.819 1.248 . . . . 0.0 109.856 178.015 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -61.01 -43.89 98.22 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 119.48 -0.295 . . . . 0.0 111.696 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.09 -41.5 86.2 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-O 121.694 0.759 . . . . 0.0 110.971 -178.747 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 66.2 t -71.49 -38.35 67.75 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.631 0 C-N-CA 126.153 1.781 . . . . 0.0 113.16 -177.571 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.0 tppt? -45.39 -34.64 3.17 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -176.428 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 25.7 pttm -74.02 -15.46 61.09 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 -178.235 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -84.37 176.1 8.92 Favored 'General case' 0 N--CA 1.44 -0.969 0 CA-C-O 123.607 1.67 . . . . 0.0 111.397 -178.925 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.2 t -137.56 167.76 21.02 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 128.009 2.524 . . . . 0.0 107.815 178.557 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -40.4 -51.88 2.79 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 126.254 1.822 . . . . 0.0 113.197 -177.406 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -60.19 -47.88 84.07 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-O 121.377 0.608 . . . . 0.0 110.606 -179.042 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -63.79 -45.63 88.87 Favored 'General case' 0 N--CA 1.445 -0.695 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 -178.574 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 47.6 mt -58.85 -50.75 72.84 Favored 'General case' 0 N--CA 1.457 -0.096 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 177.994 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -57.87 -43.2 85.84 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 123.056 0.543 . . . . 0.0 110.001 -179.819 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.78 -47.12 76.24 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 -179.742 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.488 HD22 ' HD1' ' A' ' 7' ' ' TYR . 11.9 mt -58.89 -49.35 78.1 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 179.727 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.49 -49.34 77.95 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 -179.412 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -51.7 -45.54 63.56 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 176.457 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -62.86 -58.99 5.5 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 178.208 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 68.0 mtm -48.21 -30.39 4.65 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 118.911 0.778 . . . . 0.0 112.691 177.551 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.9 t -54.85 -36.58 65.22 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.17 -0.956 . . . . 0.0 109.802 177.457 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -122.37 45.71 2.3 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 127.548 2.339 . . . . 0.0 108.475 179.455 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.519 ' CD2' ' HA3' ' A' ' 18' ' ' GLY . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.105 0 C-N-CA 126.231 1.812 . . . . 0.0 111.26 -178.885 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 . . . . . 0 CA--C 1.535 0.369 0 N-CA-C 106.616 -1.624 . . . . 0.0 106.616 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 75.33 81.43 0.51 Allowed Glycine 0 N--CA 1.441 -1.006 1 N-CA-C 101.472 -4.651 . . . . 0.0 101.472 -171.308 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 119.66 -31.67 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 130.256 3.422 . . . . 0.0 107.517 -174.414 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.63 -19.8 23.26 Favored 'General case' 0 C--N 1.346 0.431 0 C-N-CA 118.753 -1.179 . . . . 0.0 110.352 -177.805 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.663 ' CB ' HD13 ' A' ' 72' ' ' LEU . 16.1 mt -88.68 -21.87 23.69 Favored 'General case' 0 N--CA 1.434 -1.269 0 C-N-CA 118.869 -1.132 . . . . 0.0 108.218 -177.631 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -84.97 -9.21 58.29 Favored 'General case' 0 C--N 1.346 0.431 0 N-CA-C 114.922 1.452 . . . . 0.0 114.922 -178.055 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -51.3 -48.4 62.31 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 119.463 1.028 . . . . 0.0 112.44 -178.253 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.8 m -76.33 27.49 0.12 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.696 1.198 . . . . 0.0 113.267 -178.29 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.0 m -130.5 -36.31 1.45 Allowed 'General case' 0 C--O 1.235 0.322 0 C-N-CA 126.196 1.799 . . . . 0.0 108.931 -177.947 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 23.6 mm -45.46 -33.7 1.38 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 C-N-CA 126.445 1.898 . . . . 0.0 110.607 178.017 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -52.64 -45.19 60.18 Favored Glycine 0 CA--C 1.535 1.341 0 CA-C-N 118.539 0.608 . . . . 0.0 112.191 178.269 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 11.8 m -90.59 -43.29 10.28 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 117.779 0.789 . . . . 0.0 111.233 -179.473 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 60.8 m-70 -80.6 -32.41 36.43 Favored 'General case' 0 N--CA 1.436 -1.167 0 N-CA-C 116.618 2.081 . . . . 0.0 116.618 -174.392 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 94.48 158.93 33.59 Favored Glycine 0 CA--C 1.528 0.866 0 N-CA-C 109.421 -1.471 . . . . 0.0 109.421 -177.47 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.74 -43.19 12.74 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 125.089 1.356 . . . . 0.0 113.463 -178.091 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.405 ' HA ' HD22 ' A' ' 79' ' ' LEU . 17.8 p-10 -109.54 26.45 10.63 Favored 'General case' 0 N--CA 1.435 -1.22 0 C-N-CA 127.903 2.481 . . . . 0.0 110.739 -178.634 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 44.14 40.89 6.01 Favored Glycine 0 CA--C 1.528 0.874 0 C-N-CA 124.937 1.256 . . . . 0.0 114.191 179.078 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.1 p -91.08 -32.08 16.01 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 125.217 1.407 . . . . 0.0 112.353 -178.51 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -64.53 121.72 15.09 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 -178.242 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.99 82.08 1.72 Allowed 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 106.464 -1.68 . . . . 0.0 106.464 177.631 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.76 145.93 4.85 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 125.203 1.401 . . . . 0.0 114.68 -176.425 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 13.6 mmt 27.8 -89.34 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 129.634 3.174 . . . . 0.0 114.43 179.154 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.37 -33.76 53.55 Favored Glycine 0 CA--C 1.526 0.767 0 C-N-CA 123.547 0.594 . . . . 0.0 113.272 -178.525 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 41.5 t 122.16 60.2 0.0 OUTLIER 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 130.758 3.623 . . . . 0.0 105.251 -178.642 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.58 134.45 24.23 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 -177.435 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.6 mtmm -60.11 121.12 56.7 Favored Pre-proline 0 N--CA 1.451 -0.41 0 N-CA-C 102.811 -3.033 . . . . 0.0 102.811 174.334 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -31.68 103.14 0.03 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 124.387 3.391 . . . . 0.0 113.039 -177.356 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.4 t -53.98 -34.3 25.8 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 -179.326 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.8 tmtm? -37.17 90.59 0.0 OUTLIER 'General case' 0 CA--C 1.52 -0.178 0 C-N-CA 127.907 2.483 . . . . 0.0 114.547 175.289 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 65.19 44.31 94.1 Favored Glycine 0 N--CA 1.444 -0.795 0 CA-C-N 111.932 -2.395 . . . . 0.0 110.476 177.551 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.496 ' HB2' HD21 ' A' ' 37' ' ' LEU . 2.8 mt-30 -52.51 -43.2 64.94 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 179.408 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.4 -118.94 0.56 Allowed Glycine 0 CA--C 1.531 1.08 0 C-N-CA 128.437 2.922 . . . . 0.0 105.906 173.702 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -167.26 -58.75 0.03 OUTLIER 'General case' 0 C--O 1.222 -0.369 0 C-N-CA 129.518 3.127 . . . . 0.0 102.563 174.831 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -42.45 99.25 Favored 'General case' 0 N--CA 1.422 -1.853 0 C-N-CA 125.995 1.718 . . . . 0.0 106.584 173.229 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -56.36 -65.26 0.64 Allowed 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 125.784 1.634 . . . . 0.0 108.447 177.786 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.496 HD21 ' HB2' ' A' ' 32' ' ' GLN . 20.1 mt -48.84 -48.24 41.93 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.338 1.455 . . . . 0.0 110.982 178.463 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -61.94 -48.96 78.08 Favored 'General case' 0 C--O 1.225 -0.207 0 C-N-CA 124.857 1.263 . . . . 0.0 111.293 -179.649 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.9 ttpp -60.5 -42.5 96.48 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 179.369 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 25.3 mttp -61.71 -52.18 65.35 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 123.264 0.626 . . . . 0.0 109.957 -179.665 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 70.5 mtm -65.52 -37.73 87.62 Favored 'General case' 0 C--O 1.219 -0.552 0 CA-C-O 118.091 -0.957 . . . . 0.0 111.197 179.328 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -60.27 -44.21 95.52 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 106.885 -1.524 . . . . 0.0 106.885 177.637 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -53.24 -56.43 19.37 Favored Glycine 0 CA--C 1.528 0.873 0 N-CA-C 109.586 -1.406 . . . . 0.0 109.586 176.838 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -62.56 -43.14 99.54 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 118.478 1.139 . . . . 0.0 111.252 179.538 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.78 -46.35 59.56 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 125.535 1.534 . . . . 0.0 109.029 -179.824 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -88.82 7.08 35.97 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.879 1.272 . . . . 0.0 112.665 -179.442 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 56.96 39.24 88.79 Favored Glycine 0 CA--C 1.531 1.043 0 CA-C-N 119.258 0.935 . . . . 0.0 112.04 -179.835 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.4 t -131.33 42.15 3.24 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.258 1.423 . . . . 0.0 110.838 -178.487 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 34.0 t80 . . . . . 0 C--O 1.231 0.13 0 N-CA-C 106.952 -1.499 . . . . 0.0 106.952 177.258 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.9 pttm . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.71 -56.3 21.18 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 123.192 0.597 . . . . 0.0 110.542 -179.122 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 26.2 mmt -57.59 -47.9 80.85 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 179.121 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.1 mmm -54.27 -52.18 62.22 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.557 179.67 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 70.0 m -56.08 -50.97 69.52 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 179.557 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -56.45 -39.71 73.61 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 118.164 0.438 . . . . 0.0 110.149 178.89 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.83 -44.82 88.59 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 123.255 0.622 . . . . 0.0 112.595 -179.162 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.5 m -89.75 -31.94 5.46 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 CA-C-N 119.551 1.069 . . . . 0.0 113.516 -176.505 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 36.8 tttp -54.86 -26.85 38.21 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 118.983 0.81 . . . . 0.0 113.109 -175.39 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 47.6 pttt -68.21 -16.02 63.81 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 117.966 0.348 . . . . 0.0 111.703 178.567 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -93.11 -166.38 1.52 Allowed 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 125.289 1.436 . . . . 0.0 109.089 178.609 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 56.7 m -148.56 153.77 38.84 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 126.508 1.923 . . . . 0.0 108.909 179.572 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -29.47 -53.37 0.13 Allowed 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 126.966 2.106 . . . . 0.0 115.318 -176.871 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -62.58 -46.41 88.45 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 121.639 0.733 . . . . 0.0 110.37 -178.734 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -60.52 -44.7 95.75 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 107.629 -1.248 . . . . 0.0 107.629 178.248 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 80.7 mt -56.63 -43.87 80.68 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 118.08 0.4 . . . . 0.0 110.033 178.299 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -60.66 -44.44 96.44 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 122.199 -0.313 . . . . 0.0 110.26 179.124 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.15 -46.4 81.06 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 122.139 0.971 . . . . 0.0 109.575 -179.28 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.663 HD13 ' CB ' ' A' ' 6' ' ' LEU . 30.7 tp -59.5 -47.59 84.93 Favored 'General case' 0 N--CA 1.435 -1.216 0 C-N-CA 124.651 1.18 . . . . 0.0 110.737 -179.084 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.04 -48.04 75.27 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.81 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -51.7 -42.63 62.35 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 176.87 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -62.19 -55.74 25.55 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 177.465 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 47.8 mtm -48.55 -37.08 16.86 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 118.428 0.558 . . . . 0.0 111.597 178.235 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.5 t -55.68 -31.3 62.3 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.331 -0.856 . . . . 0.0 111.862 178.44 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 41.0 mmtm -91.85 10.78 27.25 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.033 0.933 . . . . 0.0 112.992 -178.682 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.405 HD22 ' HA ' ' A' ' 17' ' ' ASP . 78.5 mt . . . . . 0 C--O 1.253 1.261 0 CA-C-O 117.7 -1.143 . . . . 0.0 110.245 178.605 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 21.5 t0 . . . . . 0 CA--C 1.529 0.146 0 CA-C-O 120.9 0.381 . . . . 0.0 110.631 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.7 -36.51 79.23 Favored Glycine 0 N--CA 1.448 -0.511 0 CA-C-O 119.078 -0.846 . . . . 0.0 112.492 178.021 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.49 -23.69 62.98 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-N 118.806 1.303 . . . . 0.0 110.621 177.591 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.87 -29.23 17.64 Favored 'General case' 0 N--CA 1.443 -0.814 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 177.935 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 93.4 mt -73.12 -42.13 63.24 Favored 'General case' 0 N--CA 1.444 -0.73 0 C-N-CA 118.619 -1.232 . . . . 0.0 108.989 -179.383 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.633 ' HD1' HD22 ' A' ' 72' ' ' LEU . 1.8 t80 -64.75 -9.93 23.89 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 114.96 1.467 . . . . 0.0 114.96 -177.623 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -53.32 -33.66 54.34 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 119.167 0.894 . . . . 0.0 109.988 177.759 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.8 p -72.14 8.66 1.2 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.182 0.993 . . . . 0.0 113.073 178.382 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.9 m -130.79 -35.69 1.43 Allowed 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 125.086 1.354 . . . . 0.0 109.904 -173.441 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.0 mm -43.14 -37.22 0.87 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 C-N-CA 125.488 1.515 . . . . 0.0 110.906 177.142 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -47.82 -40.81 19.35 Favored Glycine 0 CA--C 1.535 1.304 0 CA-C-N 118.124 0.42 . . . . 0.0 112.157 178.097 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 34.2 m -99.68 -46.25 5.49 Favored 'General case' 0 C--N 1.339 0.137 0 C-N-CA 123.763 0.825 . . . . 0.0 110.522 178.935 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.433 ' HB3' ' HA2' ' A' ' 18' ' ' GLY . 92.4 m-70 -74.33 -11.22 60.2 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 114.827 1.417 . . . . 0.0 114.827 -175.639 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 72.95 118.67 0.07 OUTLIER Glycine 0 CA--C 1.533 1.187 0 N-CA-C 119.11 2.404 . . . . 0.0 119.11 174.308 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 54.52 -76.64 0.01 OUTLIER 'General case' 0 C--N 1.341 0.215 0 C-N-CA 128.541 2.737 . . . . 0.0 113.375 176.943 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -112.23 -29.33 7.6 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 126.834 2.054 . . . . 0.0 110.645 -179.265 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.433 ' HA2' ' HB3' ' A' ' 14' ' ' HIS . . . 134.35 32.41 0.34 Allowed Glycine 0 CA--C 1.537 1.417 0 C-N-CA 128.707 3.051 . . . . 0.0 111.57 178.982 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.7 m -87.61 -22.41 24.77 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 114.685 1.365 . . . . 0.0 114.685 -176.633 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.7 ttmm -78.42 143.23 36.95 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.864 0.84 . . . . 0.0 111.26 -178.012 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.66 80.65 1.53 Allowed 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 106.309 -1.737 . . . . 0.0 106.309 175.823 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -41.16 136.72 1.51 Allowed 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 116.264 1.95 . . . . 0.0 116.264 -176.037 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 42.3 tpp 17.79 -49.45 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.644 1 C-N-CA 134.72 5.208 . . . . 0.0 118.86 176.526 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.15 -30.8 44.94 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 120.725 -1.234 . . . . 0.0 110.222 177.852 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 60.8 m 117.34 55.19 0.0 OUTLIER 'General case' 0 CA--C 1.528 0.114 1 C-N-CA 132.655 4.382 . . . . 0.0 105.295 -178.218 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.86 156.1 11.96 Favored 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 115.602 1.705 . . . . 0.0 115.602 -176.524 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.6 mtmm -68.33 127.95 93.19 Favored Pre-proline 0 N--CA 1.446 -0.637 0 N-CA-C 100.793 -3.78 . . . . 0.0 100.793 170.924 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -52.45 117.78 3.99 Favored 'Trans proline' 0 N--CA 1.455 -0.742 0 CA-C-N 121.595 1.605 . . . . 0.0 109.243 -178.21 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.1 m -60.29 -23.39 27.67 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 -179.372 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.3 tttp -53.34 93.2 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.525 0 CA-C-O 123.288 1.518 . . . . 0.0 111.91 173.889 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 83.09 31.13 29.4 Favored Glycine 0 N--CA 1.442 -0.908 0 CA-C-N 112.306 -2.225 . . . . 0.0 111.799 177.445 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -65.44 -36.63 84.49 Favored 'General case' 0 N--CA 1.437 -1.124 0 N-CA-C 106.273 -1.751 . . . . 0.0 106.273 177.272 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 123.75 121.94 2.67 Favored Glycine 0 C--O 1.218 -0.852 0 C-N-CA 127.851 2.643 . . . . 0.0 109.708 176.24 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.25 -47.6 12.83 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 120.611 2.206 . . . . 0.0 112.46 -178.454 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -59.49 -44.72 93.01 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 179.375 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.89 -63.76 1.14 Allowed 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 126.209 1.804 . . . . 0.0 108.17 179.886 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 27.6 mt -48.32 -45.58 35.31 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 126.935 2.094 . . . . 0.0 110.503 179.873 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -70.54 -45.7 65.01 Favored 'General case' 0 N--CA 1.45 -0.455 0 O-C-N 122.092 -0.38 . . . . 0.0 111.517 -179.053 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -59.88 -41.1 90.84 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 179.25 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -64.93 -50.06 67.96 Favored 'General case' 0 N--CA 1.438 -1.062 0 C-N-CA 124.015 0.926 . . . . 0.0 109.899 179.939 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 55.6 mtm -62.57 -36.95 84.29 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-O 117.832 -1.08 . . . . 0.0 110.276 178.634 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.29 -48.31 80.89 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 106.818 -1.549 . . . . 0.0 106.818 176.576 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -51.52 -51.7 36.55 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 177.66 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -69.38 -35.48 75.86 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 118.313 1.057 . . . . 0.0 111.477 179.15 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.34 -53.45 57.14 Favored 'General case' 0 CA--C 1.522 -0.099 0 C-N-CA 124.923 1.289 . . . . 0.0 108.796 -178.854 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -76.26 -37.65 57.31 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 177.918 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.96 22.35 8.02 Favored Glycine 0 CA--C 1.532 1.098 0 C-N-CA 125.503 1.525 . . . . 0.0 112.994 178.746 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.3 t -102.97 38.97 1.63 Allowed 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.615 1.166 . . . . 0.0 110.381 -179.885 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 39.1 t80 . . . . . 0 N--CA 1.455 -0.215 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 179.66 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 53.1 pttt . . . . . 0 C--O 1.226 -0.155 0 N-CA-C 113.451 0.908 . . . . 0.0 113.451 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.59 -51.29 63.5 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 122.091 0.156 . . . . 0.0 110.783 -178.368 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 93.9 mmm -57.61 -46.74 83.7 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 179.019 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 39.9 mmm -56.82 -63.09 1.32 Allowed 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.144 179.676 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 99.1 m -47.33 -48.14 25.5 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 124.723 1.209 . . . . 0.0 110.166 178.222 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.74 -42.12 92.47 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 118.339 0.518 . . . . 0.0 110.769 179.967 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.11 -30.55 60.9 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.35 0.523 . . . . 0.0 112.234 -178.648 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 79.6 t -86.07 -51.6 13.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 125.413 1.485 . . . . 0.0 114.079 -176.241 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -48.77 -30.61 5.85 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.86 1.264 . . . . 0.0 113.314 -176.884 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 25.2 pttm -69.26 -21.46 63.9 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 118.846 0.748 . . . . 0.0 112.673 -179.925 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -86.03 167.67 14.81 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-O 123.852 1.787 . . . . 0.0 111.385 -179.091 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 92.4 p -97.3 166.31 11.61 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 128.632 2.773 . . . . 0.0 109.366 178.643 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -57.95 -37.82 74.83 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 177.46 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.24 -54.16 28.32 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.514 1.126 . . . . 0.0 109.201 179.476 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.53 -48.17 72.27 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 178.633 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 83.1 mt -60.48 -42.51 96.41 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 179.11 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 16.6 ttmm -59.88 -48.59 81.09 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 121.678 -0.639 . . . . 0.0 109.402 179.038 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.51 -42.9 97.33 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 -179.728 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.633 HD22 ' HD1' ' A' ' 7' ' ' TYR . 12.4 mt -61.33 -47.98 83.44 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-O 119.203 -0.427 . . . . 0.0 111.181 179.188 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.34 -43.74 96.87 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 -179.292 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -54.34 -50.74 66.73 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 178.044 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -57.59 -59.45 5.16 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 122.941 0.496 . . . . 0.0 109.729 178.586 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.418 ' HA ' HD13 ' A' ' 79' ' ' LEU . 54.6 mtm -49.18 -44.42 43.0 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.665 0.666 . . . . 0.0 112.361 179.05 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.5 t -64.58 -7.12 9.2 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 117.848 -1.072 . . . . 0.0 112.982 -179.051 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -110.83 9.17 22.53 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.841 1.256 . . . . 0.0 111.638 178.963 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.418 HD13 ' HA ' ' A' ' 76' ' ' MET . 0.5 OUTLIER . . . . . 0 C--O 1.253 1.256 0 CA-C-O 117.509 -1.234 . . . . 0.0 109.292 176.498 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.5 t70 . . . . . 0 CA--C 1.53 0.205 0 CA-C-O 120.503 0.192 . . . . 0.0 110.686 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.59 -60.81 7.25 Favored Glycine 0 N--CA 1.447 -0.611 0 N-CA-C 109.711 -1.356 . . . . 0.0 109.711 179.558 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -48.05 -44.83 31.56 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 117.25 0.525 . . . . 0.0 110.962 -179.604 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.02 -44.59 78.89 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-O 119.494 -0.289 . . . . 0.0 111.69 -179.616 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 51.9 mt -69.86 -47.28 63.23 Favored 'General case' 0 N--CA 1.439 -1.007 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 179.197 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -53.42 -23.93 11.18 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.375 1.07 . . . . 0.0 113.883 -178.078 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -52.46 -35.47 52.58 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.387 -0.82 . . . . 0.0 110.416 176.719 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 m -69.09 -5.25 20.93 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.36 1.064 . . . . 0.0 113.37 -179.486 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.7 m -112.7 -37.93 4.74 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 127.312 2.245 . . . . 0.0 111.157 -175.203 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.1 mp -45.86 -29.34 0.89 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 125.726 1.611 . . . . 0.0 112.387 -179.903 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -55.31 -45.6 82.62 Favored Glycine 0 CA--C 1.536 1.359 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 177.223 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.3 m -89.47 -41.57 11.98 Favored 'General case' 0 C--N 1.339 0.12 0 O-C-N 122.157 -0.614 . . . . 0.0 110.034 179.187 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 84.7 m-70 -73.89 -9.83 59.04 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 113.539 0.94 . . . . 0.0 113.539 -177.297 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.95 90.37 0.02 OUTLIER Glycine 0 CA--C 1.524 0.606 0 N-CA-C 116.68 1.432 . . . . 0.0 116.68 175.03 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 66.12 -47.54 0.42 Allowed 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 127.069 2.148 . . . . 0.0 114.7 175.96 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 43.6 p-10 -134.81 -74.84 0.46 Allowed 'General case' 0 N--CA 1.436 -1.128 0 C-N-CA 126.474 1.91 . . . . 0.0 109.211 -179.742 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 176.84 26.54 0.03 OUTLIER Glycine 0 CA--C 1.524 0.642 0 C-N-CA 126.015 1.769 . . . . 0.0 109.761 179.917 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.7 p -79.42 -51.86 8.82 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 125.537 1.535 . . . . 0.0 108.297 -179.994 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -56.16 119.95 6.75 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.032 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.15 84.35 0.53 Allowed 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 106.771 -1.566 . . . . 0.0 106.771 178.54 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -35.63 126.91 0.66 Allowed 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 125.593 1.557 . . . . 0.0 114.099 -175.441 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 85.6 mmm 16.74 -74.95 0.0 OUTLIER 'General case' 0 C--N 1.344 0.348 0 C-N-CA 130.883 3.673 . . . . 0.0 113.246 179.727 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.4 46.21 1.89 Allowed Glycine 0 CA--C 1.534 1.258 0 N-CA-C 111.542 -0.623 . . . . 0.0 111.542 176.978 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.1 m 45.78 52.42 9.63 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 126.826 2.05 . . . . 0.0 112.578 178.611 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.97 135.14 56.17 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 118.736 -1.186 . . . . 0.0 112.596 179.887 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 31.9 mmtt -67.08 117.2 43.69 Favored Pre-proline 0 CA--C 1.535 0.403 0 N-CA-C 102.566 -3.124 . . . . 0.0 102.566 176.736 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 0.8 OUTLIER -20.6 103.62 0.01 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.643 1 C-N-CA 125.993 4.462 . . . . 0.0 115.616 -174.873 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 37.7 t -57.24 -35.22 47.9 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 N-CA-C 106.675 -1.602 . . . . 0.0 106.675 177.699 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -65.5 92.82 0.14 Allowed 'General case' 0 CA--C 1.514 -0.406 0 CA-C-O 122.38 1.086 . . . . 0.0 108.291 174.723 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 131.55 -14.31 5.31 Favored Glycine 0 CA--C 1.523 0.565 0 CA-C-N 112.716 -2.038 . . . . 0.0 112.507 179.274 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -66.9 147.41 53.27 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 119.15 1.475 . . . . 0.0 107.483 178.909 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -88.41 146.3 19.44 Favored Glycine 0 CA--C 1.53 1.01 0 CA-C-O 118.951 -0.916 . . . . 0.0 113.982 -175.84 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.62 -49.29 14.39 Favored 'General case' 0 C--N 1.343 0.318 0 CA-C-N 119.309 1.555 . . . . 0.0 112.644 -178.493 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -59.06 -42.98 91.63 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 -179.649 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -60.13 -63.93 1.13 Allowed 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 124.992 1.317 . . . . 0.0 107.755 179.254 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 37.7 mt -46.75 -46.06 20.16 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 126.752 2.021 . . . . 0.0 110.705 -179.273 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -71.0 -47.29 59.64 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 123.287 0.635 . . . . 0.0 111.556 -179.342 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.53 -41.16 89.38 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 179.594 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp -65.15 -51.18 62.72 Favored 'General case' 0 N--CA 1.437 -1.099 0 C-N-CA 124.654 1.181 . . . . 0.0 109.963 -179.457 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 58.2 mtm -62.67 -38.44 90.35 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-O 117.622 -1.18 . . . . 0.0 109.798 178.632 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -59.46 -45.09 92.62 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 120.74 1.609 . . . . 0.0 106.803 176.25 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -50.26 -49.69 36.98 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 124.363 0.983 . . . . 0.0 110.9 177.07 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -71.26 -54.6 10.34 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.247 -1.149 . . . . 0.0 109.842 179.009 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -40.93 -53.85 2.85 Favored 'General case' 0 CA--C 1.527 0.083 0 C-N-CA 128.101 2.56 . . . . 0.0 111.533 -178.795 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -160.44 53.2 0.32 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.02 0.928 . . . . 0.0 110.197 -177.028 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -155.15 20.66 0.56 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 120.556 -1.34 . . . . 0.0 112.339 178.399 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.1 t 39.06 42.28 0.67 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 128.337 2.655 . . . . 0.0 112.931 179.069 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 31.0 t80 . . . . . 0 CA--C 1.535 0.399 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 176.888 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 25.0 pttm . . . . . 0 N--CA 1.437 -1.105 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.7 -51.69 63.92 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 122.51 0.324 . . . . 0.0 110.588 -178.254 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 42.0 tpp -59.28 -46.59 88.11 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 178.932 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 44.0 mmm -55.16 -59.97 4.03 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.929 -179.738 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 35.1 m -52.98 -43.67 66.6 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 123.656 0.782 . . . . 0.0 110.276 178.195 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.95 -43.7 98.32 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 119.488 1.04 . . . . 0.0 110.634 179.506 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.7 -42.54 73.94 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-O 121.48 0.657 . . . . 0.0 111.706 -178.572 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 76.6 t -74.4 -44.07 48.64 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 C-N-CA 126.16 1.784 . . . . 0.0 113.259 -176.72 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.3 tptm -53.78 -32.95 54.32 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.199 1.0 . . . . 0.0 113.033 -177.132 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.4 pttp -74.64 -8.5 56.57 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 118.84 0.745 . . . . 0.0 112.286 -179.946 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -97.39 -179.41 4.48 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-O 122.622 1.201 . . . . 0.0 108.668 178.506 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 35.2 t -136.06 170.65 15.67 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 126.96 2.104 . . . . 0.0 109.112 179.161 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -41.98 -49.84 4.61 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 125.705 1.602 . . . . 0.0 112.828 -177.413 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -61.87 -48.71 79.29 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.167 0.587 . . . . 0.0 110.63 -178.639 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -61.39 -47.01 87.78 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.444 0.698 . . . . 0.0 109.419 179.882 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 88.2 mt -60.52 -45.04 95.28 Favored 'General case' 0 CA--C 1.528 0.124 0 N-CA-C 109.616 -0.512 . . . . 0.0 109.616 179.267 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -61.0 -42.9 99.33 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 178.889 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.99 -48.15 77.53 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 -179.824 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 72' ' ' LEU . 15.4 mt -58.53 -51.96 67.67 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-O 119.147 -0.454 . . . . 0.0 110.864 179.423 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.44 -41.17 98.53 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-O 118.818 -0.611 . . . . 0.0 110.083 -178.478 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -54.4 -49.54 69.66 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 177.413 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -60.55 -59.31 5.61 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 178.553 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 71.5 mtm -50.83 -29.63 12.24 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 177.825 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.2 t -72.07 -23.28 61.33 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 120.743 -1.223 . . . . 0.0 112.34 -179.803 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -110.54 27.34 9.74 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 118.83 0.741 . . . . 0.0 109.283 177.984 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 21.4 tp . . . . . 0 C--O 1.25 1.094 0 C-N-CA 127.092 2.157 . . . . 0.0 111.273 -179.735 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 . . . . . 0 CA--C 1.512 -0.497 0 CA-C-O 118.491 -0.766 . . . . 0.0 110.513 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -36.54 -48.22 1.23 Allowed Glycine 0 C--N 1.339 0.721 0 C-N-CA 126.204 1.859 . . . . 0.0 112.78 -179.09 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -49.34 -28.87 5.38 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 179.848 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -85.71 -29.81 23.63 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 119.126 0.875 . . . . 0.0 109.752 -178.415 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.449 HD12 ' N ' ' A' ' 6' ' ' LEU . 5.4 mp -74.61 -39.41 62.17 Favored 'General case' 0 N--CA 1.439 -1.012 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 -179.745 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.484 ' N ' HD21 ' A' ' 72' ' ' LEU . 2.5 t80 -69.15 -14.13 62.82 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 115.738 1.755 . . . . 0.0 115.738 -178.246 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -50.48 -46.15 56.74 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 119.393 0.997 . . . . 0.0 112.91 -177.881 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.31 -23.58 67.35 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.46 0.704 . . . . 0.0 112.757 179.827 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.9 m -85.63 -35.99 20.61 Favored 'General case' 0 CA--C 1.515 -0.369 0 C-N-CA 125.799 1.64 . . . . 0.0 109.838 -177.249 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -48.64 -31.63 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 C-N-CA 124.774 1.23 . . . . 0.0 110.54 179.357 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -58.64 -43.6 96.12 Favored Glycine 0 CA--C 1.535 1.335 0 CA-C-N 118.473 0.579 . . . . 0.0 112.073 177.895 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.3 m -90.38 -39.1 12.88 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 117.939 0.869 . . . . 0.0 111.702 -178.568 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -91.0 -23.54 20.36 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 115.145 1.535 . . . . 0.0 115.145 -176.481 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 86.44 156.24 28.06 Favored Glycine 0 CA--C 1.527 0.796 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.208 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.06 -43.81 63.99 Favored 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 123.642 0.777 . . . . 0.0 110.269 179.656 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 51.8 p30 -87.89 12.62 12.69 Favored 'General case' 0 N--CA 1.437 -1.105 0 C-N-CA 126.631 1.972 . . . . 0.0 113.209 -179.996 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.512 ' HA3' HD21 ' A' ' 79' ' ' LEU . . . 48.24 19.97 1.3 Allowed Glycine 0 CA--C 1.527 0.806 0 C-N-CA 125.49 1.519 . . . . 0.0 115.443 -179.727 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.3 m -95.52 -10.14 30.51 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 117.941 0.871 . . . . 0.0 112.733 -176.309 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -72.36 115.45 11.63 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 178.73 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.78 85.06 0.66 Allowed 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 105.714 -1.958 . . . . 0.0 105.714 177.344 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.26 146.18 3.92 Favored 'General case' 0 N--CA 1.443 -0.775 0 C-N-CA 125.995 1.718 . . . . 0.0 115.413 -176.22 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 46.3 tpp 28.78 -86.7 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 130.409 3.483 . . . . 0.0 114.517 178.166 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.86 -28.67 63.61 Favored Glycine 0 CA--C 1.526 0.729 0 C-N-CA 123.528 0.585 . . . . 0.0 113.608 -178.668 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 42.3 m 114.5 65.28 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.205 1 C-N-CA 131.918 4.087 . . . . 0.0 104.799 -177.823 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.01 146.43 22.55 Favored 'General case' 0 N--CA 1.438 -1.071 0 N-CA-C 116.675 2.102 . . . . 0.0 116.675 -177.731 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.1 mtmm -64.79 115.27 19.18 Favored Pre-proline 0 CA--C 1.537 0.449 0 N-CA-C 102.711 -3.07 . . . . 0.0 102.711 171.69 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -34.74 113.49 0.08 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.506 0 C-N-CA 123.93 3.087 . . . . 0.0 112.538 -177.682 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 33.5 m -64.73 -29.8 48.43 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 -179.609 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 42.2 tptt -54.1 108.49 0.37 Allowed 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 124.235 1.014 . . . . 0.0 110.496 172.777 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 107.65 -13.25 38.92 Favored Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 114.192 -1.367 . . . . 0.0 111.332 177.623 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.416 ' HB2' HD21 ' A' ' 37' ' ' LEU . 76.5 mt-30 -64.95 142.83 58.3 Favored 'General case' 0 N--CA 1.438 -1.025 0 N-CA-C 106.068 -1.827 . . . . 0.0 106.068 177.7 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -83.97 146.17 22.93 Favored Glycine 0 CA--C 1.526 0.774 0 CA-C-O 118.601 -1.111 . . . . 0.0 112.998 -175.694 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.07 -50.83 10.73 Favored 'General case' 0 CA--C 1.517 -0.311 0 C-N-CA 125.862 1.665 . . . . 0.0 112.222 -178.519 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -55.75 -48.5 75.16 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 -179.939 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -59.39 -61.81 2.35 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 124.166 0.986 . . . . 0.0 108.548 179.706 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.416 HD21 ' HB2' ' A' ' 32' ' ' GLN . 14.2 mt -49.08 -41.77 36.6 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 125.71 1.604 . . . . 0.0 112.064 179.866 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -77.12 -40.51 45.52 Favored 'General case' 0 N--CA 1.445 -0.693 0 O-C-N 121.949 -0.47 . . . . 0.0 110.925 -176.852 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -61.49 -43.33 99.06 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 107.376 -1.342 . . . . 0.0 107.376 178.41 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -64.66 -54.39 32.56 Favored 'General case' 0 N--CA 1.436 -1.152 0 C-N-CA 124.179 0.991 . . . . 0.0 110.366 -179.699 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 52.5 mtm -61.75 -37.13 83.11 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-O 118.066 -0.969 . . . . 0.0 110.685 179.704 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -62.97 -44.68 95.38 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 120.207 1.367 . . . . 0.0 107.341 177.318 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -53.01 -45.39 62.14 Favored Glycine 0 CA--C 1.531 1.091 0 N-CA-C 110.236 -1.145 . . . . 0.0 110.236 176.819 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -69.48 -46.36 66.82 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 117.924 0.862 . . . . 0.0 110.127 178.175 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -48.34 -51.79 24.58 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 126.608 1.963 . . . . 0.0 109.853 -178.648 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -88.13 10.25 19.96 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.219 1.008 . . . . 0.0 112.583 -178.689 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 52.92 34.52 45.9 Favored Glycine 0 CA--C 1.532 1.115 0 CA-C-N 119.027 0.83 . . . . 0.0 113.001 -179.899 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.2 t -99.64 -25.05 14.53 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.869 1.268 . . . . 0.0 110.175 -179.841 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 6.5 t80 . . . . . 0 C--N 1.34 0.16 0 N-CA-C 106.943 -1.503 . . . . 0.0 106.943 178.719 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.416 ' HA ' ' HB2' ' A' ' 57' ' ' MET . 71.8 mttt . . . . . 0 N--CA 1.43 -1.459 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.8 -46.49 62.73 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 107.096 -1.446 . . . . 0.0 107.096 176.919 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 64.8 mtt -59.62 -42.54 92.91 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 178.025 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.416 ' HB2' ' HA ' ' A' ' 54' ' ' LYS . 51.1 mmm -56.14 -61.46 2.37 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 177.619 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 86.1 m -46.01 -50.59 14.8 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.895 0.878 . . . . 0.0 109.871 177.946 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 15.8 t30 -56.71 -34.17 67.21 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 122.975 0.51 . . . . 0.0 111.847 179.497 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.31 -63.57 1.39 Allowed 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 119.205 0.911 . . . . 0.0 108.866 178.151 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 71.4 t -42.81 -42.88 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 127.95 2.5 . . . . 0.0 112.98 -177.71 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -53.34 -25.1 13.84 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 113.451 0.908 . . . . 0.0 113.451 -178.562 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.58 -10.38 59.47 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 119.815 1.189 . . . . 0.0 112.683 -179.719 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -107.58 142.38 37.59 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-O 122.413 1.101 . . . . 0.0 108.577 -178.607 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 86.7 p -77.91 171.19 15.36 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 126.792 2.037 . . . . 0.0 109.616 178.919 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.7 p-10 -57.58 -39.53 76.98 Favored 'General case' 0 CA--C 1.534 0.363 0 O-C-N 121.838 -0.539 . . . . 0.0 109.944 177.429 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.2 tm-20 -66.77 -51.36 56.72 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.226 1.01 . . . . 0.0 109.401 179.593 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -58.69 -45.95 88.34 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 122.066 -0.396 . . . . 0.0 110.273 179.716 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 55.6 mt -59.16 -42.69 91.35 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 178.175 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -61.86 -40.22 94.62 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.851 -0.53 . . . . 0.0 109.586 178.21 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.95 -46.43 84.71 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 179.487 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.484 HD21 ' N ' ' A' ' 7' ' ' TYR . 13.1 mt -56.56 -51.51 68.3 Favored 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 178.113 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.44 -40.34 90.74 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 118.876 -0.583 . . . . 0.0 109.964 -179.21 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -56.43 -48.42 77.04 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 177.726 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -59.78 -59.6 5.18 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 178.285 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.41 ' O ' ' HB2' ' A' ' 79' ' ' LEU . 70.8 mtm -52.16 -32.71 37.14 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 178.232 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.5 t -70.71 -12.16 61.38 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 120.348 -1.47 . . . . 0.0 111.516 179.727 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -114.74 24.94 11.37 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.99 1.716 . . . . 0.0 108.088 177.61 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.512 HD21 ' HA3' ' A' ' 18' ' ' GLY . 13.7 tp . . . . . 0 C--O 1.253 1.251 0 C-N-CA 125.314 1.446 . . . . 0.0 109.821 -179.36 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -45.43 -52.89 8.5 Favored Glycine 0 CA--C 1.528 0.851 0 C-N-CA 123.949 0.785 . . . . 0.0 112.039 -179.652 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.25 -31.43 43.4 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.578 0.751 . . . . 0.0 112.77 179.382 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.95 -22.97 33.63 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 119.152 -0.452 . . . . 0.0 110.347 -178.745 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.438 ' CB ' HD13 ' A' ' 72' ' ' LEU . 10.9 mt -85.43 -27.51 25.7 Favored 'General case' 0 N--CA 1.437 -1.101 0 N-CA-C 105.61 -1.996 . . . . 0.0 105.61 -179.777 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.446 ' CE1' ' SD ' ' A' ' 76' ' ' MET . 0.6 OUTLIER -74.11 -12.9 60.73 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 178.067 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.4 tptt -50.62 -43.5 56.93 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.689 0.796 . . . . 0.0 112.983 -177.973 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 p -69.03 -19.86 64.12 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.672 1.189 . . . . 0.0 112.909 -179.899 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.5 m -90.59 -38.74 12.95 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 126.861 2.064 . . . . 0.0 109.728 -176.398 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -46.54 -30.91 1.37 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 C-N-CA 125.955 1.702 . . . . 0.0 110.747 178.676 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -56.2 -47.94 78.06 Favored Glycine 0 CA--C 1.535 1.339 0 O-C-N 121.533 -0.73 . . . . 0.0 111.763 177.698 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.6 m -86.15 -42.7 13.64 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 117.902 0.851 . . . . 0.0 110.533 -179.518 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 56.5 m-70 -80.21 -11.69 59.71 Favored 'General case' 0 N--CA 1.431 -1.411 0 N-CA-C 115.437 1.643 . . . . 0.0 115.437 -175.762 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 84.35 154.42 20.05 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 110.306 -1.117 . . . . 0.0 110.306 -179.225 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -32.89 -57.8 0.37 Allowed 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 126.897 2.079 . . . . 0.0 113.512 -178.433 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -109.72 38.51 2.35 Favored 'General case' 0 N--CA 1.436 -1.17 0 C-N-CA 126.172 1.789 . . . . 0.0 111.844 -179.215 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 52.8 29.7 34.38 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 124.26 0.933 . . . . 0.0 114.558 178.143 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.0 p -90.14 -30.73 17.45 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 126.688 1.995 . . . . 0.0 113.246 -177.361 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -72.9 125.53 27.8 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 -178.246 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.36 84.12 0.79 Allowed 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 107.079 -1.452 . . . . 0.0 107.079 178.398 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -38.9 126.21 1.54 Allowed 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 125.636 1.574 . . . . 0.0 114.986 -176.098 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 88.4 mmm 23.68 -76.74 0.0 OUTLIER 'General case' 0 C--N 1.342 0.249 1 C-N-CA 131.822 4.049 . . . . 0.0 115.099 178.336 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -51.27 -40.39 45.15 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 110.627 -0.989 . . . . 0.0 110.627 178.929 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 43.8 t 126.25 55.75 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 130.962 3.705 . . . . 0.0 107.115 179.612 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.06 133.53 48.76 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 113.596 0.961 . . . . 0.0 113.596 -178.908 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -61.57 114.32 10.72 Favored Pre-proline 0 CA--C 1.54 0.589 0 N-CA-C 101.904 -3.369 . . . . 0.0 101.904 172.589 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo -29.82 114.84 0.05 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 124.568 3.512 . . . . 0.0 113.504 -174.801 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.0 m -63.06 -19.81 24.44 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 179.301 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.493 ' HA ' HD23 ' A' ' 79' ' ' LEU . 47.9 tttp -59.85 98.6 0.05 Allowed 'General case' 0 CA--C 1.513 -0.443 0 CA-C-O 122.303 1.049 . . . . 0.0 110.3 175.567 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 112.11 -7.41 27.12 Favored Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 113.037 -1.892 . . . . 0.0 112.027 177.874 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -63.36 145.45 55.56 Favored 'General case' 0 N--CA 1.442 -0.86 0 N-CA-C 105.318 -2.105 . . . . 0.0 105.318 176.582 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.1 145.38 33.4 Favored Glycine 0 CA--C 1.527 0.818 0 O-C-N 120.826 -1.172 . . . . 0.0 113.603 -175.114 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.32 -49.08 24.88 Favored 'General case' 0 C--N 1.34 0.158 0 CA-C-N 120.004 1.902 . . . . 0.0 111.204 179.297 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -56.73 -48.17 78.35 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 109.011 -0.736 . . . . 0.0 109.011 179.178 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -55.84 -65.87 0.52 Allowed 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 178.76 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.9 mt -48.23 -41.51 27.7 Favored 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 125.416 1.486 . . . . 0.0 111.82 -179.294 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -72.88 -40.13 65.86 Favored 'General case' 0 N--CA 1.449 -0.524 0 O-C-N 121.533 -0.73 . . . . 0.0 110.863 -178.163 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.9 tttp -64.36 -42.76 96.04 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 179.024 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 24.9 mmtp -62.48 -52.93 61.54 Favored 'General case' 0 N--CA 1.439 -1.002 0 C-N-CA 124.676 1.19 . . . . 0.0 109.511 -179.442 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 69.1 mtm -64.81 -39.33 93.42 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 117.948 -1.025 . . . . 0.0 111.173 179.711 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.3 tttp -59.09 -44.1 91.88 Favored 'General case' 0 CA--C 1.528 0.107 0 N-CA-C 106.973 -1.492 . . . . 0.0 106.973 177.068 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.47 -45.16 93.32 Favored Glycine 0 CA--C 1.532 1.129 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 177.522 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -74.02 -30.43 62.44 Favored 'General case' 0 C--O 1.225 -0.202 0 O-C-N 121.386 -1.067 . . . . 0.0 112.143 179.705 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -46.69 -52.98 12.66 Favored 'General case' 0 N--CA 1.462 0.132 0 C-N-CA 125.375 1.47 . . . . 0.0 108.148 -179.773 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -86.19 -40.12 15.93 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 176.613 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.77 27.7 4.24 Favored Glycine 0 CA--C 1.528 0.876 0 C-N-CA 124.495 1.045 . . . . 0.0 113.598 178.052 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.5 p -80.78 -46.88 14.72 Favored 'General case' 0 N--CA 1.426 -1.656 0 C-N-CA 125.29 1.436 . . . . 0.0 109.082 179.172 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 36.5 t80 . . . . . 0 CA--C 1.53 0.195 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 178.83 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.532 0.277 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.59 -53.22 59.2 Favored 'General case' 0 C--O 1.233 0.2 0 O-C-N 121.954 -0.466 . . . . 0.0 110.12 -179.288 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 26.2 mmt -58.58 -44.42 89.8 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 178.971 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 28.8 mmm -56.54 -56.4 21.78 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 122.808 0.443 . . . . 0.0 110.794 179.309 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 17.8 m -52.44 -50.52 62.43 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 178.236 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -56.64 -35.69 68.65 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 121.512 -0.075 . . . . 0.0 111.013 178.798 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.7 -43.89 62.45 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 123.607 0.763 . . . . 0.0 112.411 -179.087 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.5 m -93.27 -23.7 5.38 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 -174.342 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -50.49 -33.23 20.58 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 120.319 1.418 . . . . 0.0 113.45 -176.521 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 41.4 pttt -69.22 -11.95 61.25 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 112.74 0.644 . . . . 0.0 112.74 -179.866 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 17.4 m-30 -103.11 139.72 38.26 Favored 'General case' 0 N--CA 1.436 -1.157 0 C-N-CA 124.965 1.306 . . . . 0.0 108.423 -179.836 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 77.6 p -82.52 168.49 17.34 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 126.448 1.899 . . . . 0.0 109.638 179.371 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -52.8 -39.61 62.52 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.576 0.75 . . . . 0.0 111.837 179.213 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.2 tm-20 -66.2 -51.94 52.85 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.972 0.909 . . . . 0.0 109.377 179.594 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -57.16 -50.4 72.95 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 179.355 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 37.5 mt -55.55 -44.36 76.71 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 124.386 1.074 . . . . 0.0 110.066 178.682 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -60.9 -45.47 94.51 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.63 -0.508 . . . . 0.0 109.63 179.386 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.94 -43.52 98.56 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 179.813 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.438 HD13 ' CB ' ' A' ' 6' ' ' LEU . 13.8 tp -57.71 -51.77 68.19 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 124.003 0.921 . . . . 0.0 109.922 -179.7 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.16 -46.21 88.25 Favored 'General case' 0 C--N 1.34 0.18 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.542 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -51.72 -48.53 63.56 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 179.093 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 32.1 t80 -59.93 -61.82 2.33 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 177.906 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.446 ' SD ' ' CE1' ' A' ' 7' ' ' TYR . 66.7 mtm -48.6 -30.55 5.48 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 114.065 1.135 . . . . 0.0 114.065 179.41 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.7 t -60.69 -32.33 71.56 Favored 'General case' 0 CA--C 1.534 0.338 0 O-C-N 121.481 -0.762 . . . . 0.0 110.302 179.615 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.5 tptp -89.67 -46.14 8.84 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 106.968 -1.493 . . . . 0.0 106.968 175.621 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.493 HD23 ' HA ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.254 1.305 0 C-N-CA 128.32 2.648 . . . . 0.0 109.587 -178.725 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 33.6 t0 . . . . . 0 N--CA 1.456 -0.164 0 N-CA-C 107.61 -1.255 . . . . 0.0 107.61 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 76.95 80.47 0.63 Allowed Glycine 0 N--CA 1.429 -1.832 1 N-CA-C 100.047 -5.221 . . . . 0.0 100.047 -171.008 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 123.1 -45.62 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 131.44 3.896 . . . . 0.0 106.893 -174.187 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.5 -36.93 71.27 Favored 'General case' 0 C--N 1.346 0.43 0 C-N-CA 118.304 -1.358 . . . . 0.0 111.54 -177.619 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.459 ' CB ' HD21 ' A' ' 72' ' ' LEU . 14.8 mt -75.3 -37.32 60.89 Favored 'General case' 0 N--CA 1.443 -0.785 0 C-N-CA 117.275 -1.77 . . . . 0.0 109.747 -178.864 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.457 ' HD1' HD22 ' A' ' 72' ' ' LEU . 1.3 t80 -59.02 -17.84 29.01 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 -177.058 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -51.63 -38.06 53.0 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 118.855 0.752 . . . . 0.0 111.112 176.506 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 55.5 p -68.79 -14.85 63.28 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -179.651 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.7 m -100.12 -37.18 9.06 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 126.894 2.077 . . . . 0.0 110.23 -174.903 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.1 mp -47.55 -29.68 1.78 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 C-N-CA 125.456 1.502 . . . . 0.0 109.647 176.745 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -54.0 -46.05 70.23 Favored Glycine 0 CA--C 1.536 1.375 0 O-C-N 121.663 -0.648 . . . . 0.0 112.06 177.088 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.4 m -91.73 -45.06 8.64 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 118.335 1.067 . . . . 0.0 110.356 179.832 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -77.21 -15.14 59.62 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 -175.832 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.2 156.76 26.88 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 110.175 -1.17 . . . . 0.0 110.175 -178.652 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -36.02 -58.83 0.64 Allowed 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 126.218 1.807 . . . . 0.0 112.996 -178.833 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.1 p-10 -98.67 33.46 2.28 Favored 'General case' 0 N--CA 1.44 -0.938 0 C-N-CA 126.228 1.811 . . . . 0.0 112.272 -178.767 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 42.6 40.77 3.96 Favored Glycine 0 CA--C 1.533 1.165 0 C-N-CA 125.086 1.327 . . . . 0.0 114.121 178.839 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.8 p -94.83 -34.67 12.38 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 126.981 2.113 . . . . 0.0 113.642 -176.633 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -66.78 134.57 52.42 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-O 121.261 0.553 . . . . 0.0 110.324 -177.407 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.79 77.09 2.73 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 105.679 -1.971 . . . . 0.0 105.679 176.346 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -35.48 122.92 0.64 Allowed 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 126.199 1.8 . . . . 0.0 114.677 -175.945 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.4 mmt 21.62 -68.74 0.0 OUTLIER 'General case' 0 C--N 1.344 0.334 1 C-N-CA 132.469 4.307 . . . . 0.0 115.563 177.906 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.22 -25.35 39.67 Favored Glycine 0 CA--C 1.529 0.958 0 C-N-CA 123.554 0.597 . . . . 0.0 111.818 178.235 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.3 m 106.74 56.38 0.0 OUTLIER 'General case' 0 C--N 1.334 -0.067 0 C-N-CA 131.288 3.835 . . . . 0.0 106.358 -179.402 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.02 144.77 48.52 Favored 'General case' 0 N--CA 1.443 -0.792 0 N-CA-C 116.474 2.027 . . . . 0.0 116.474 -177.306 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.8 pttm -70.79 114.46 27.01 Favored Pre-proline 0 CA--C 1.543 0.688 0 N-CA-C 101.438 -3.542 . . . . 0.0 101.438 171.104 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -31.7 117.57 0.07 OUTLIER 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 124.579 3.519 . . . . 0.0 113.75 -175.626 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 17.3 m -67.35 -22.01 28.44 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 C-N-CA 119.375 -0.93 . . . . 0.0 108.913 -179.49 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.708 ' HA ' HD23 ' A' ' 79' ' ' LEU . 23.7 ttpp -60.03 106.75 0.54 Allowed 'General case' 0 CA--C 1.515 -0.401 0 CA-C-O 122.115 0.959 . . . . 0.0 110.479 176.305 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 105.85 -4.76 39.37 Favored Glycine 0 N--CA 1.448 -0.538 0 CA-C-N 113.289 -1.778 . . . . 0.0 111.731 177.787 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -64.34 146.21 54.78 Favored 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 105.877 -1.897 . . . . 0.0 105.877 177.202 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -76.41 142.94 28.8 Favored Glycine 0 CA--C 1.528 0.846 0 O-C-N 120.865 -1.147 . . . . 0.0 113.695 -175.25 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -46.1 -47.6 17.27 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 119.688 1.744 . . . . 0.0 111.852 179.638 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.3 tm-20 -60.0 -45.09 93.9 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 179.527 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 57.3 tt0 -58.92 -62.85 1.57 Allowed 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.74 1.216 . . . . 0.0 107.98 179.419 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 50.8 mt -45.58 -49.53 13.96 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 126.959 2.103 . . . . 0.0 109.744 179.625 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -65.1 -53.45 45.15 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 123.098 0.559 . . . . 0.0 112.395 -179.925 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.7 tttp -57.38 -41.19 79.71 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 121.533 0.682 . . . . 0.0 109.759 -178.082 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp -68.88 -51.36 41.03 Favored 'General case' 0 N--CA 1.435 -1.204 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.3 -178.647 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 65.6 mtm -62.21 -35.19 78.12 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 118.575 -0.726 . . . . 0.0 110.303 178.989 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -61.05 -45.54 94.34 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 106.864 -1.532 . . . . 0.0 106.864 177.536 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.26 -47.88 84.45 Favored Glycine 0 CA--C 1.534 1.258 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 176.956 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -63.42 -42.21 98.72 Favored 'General case' 0 C--N 1.343 0.289 0 CA-C-N 118.44 1.12 . . . . 0.0 109.467 179.207 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.27 -46.15 76.12 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 125.273 1.429 . . . . 0.0 108.559 179.388 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -72.61 -19.8 61.4 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.833 0.853 . . . . 0.0 111.177 179.826 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.9 -14.1 33.7 Favored Glycine 0 CA--C 1.53 0.979 0 CA-C-N 118.801 0.728 . . . . 0.0 113.544 179.651 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.75 -40.3 79.85 Favored 'General case' 0 N--CA 1.432 -1.364 0 C-N-CA 125.522 1.529 . . . . 0.0 110.926 -179.345 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 11.1 t80 . . . . . 0 N--CA 1.455 -0.186 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 178.979 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.9 mttm . . . . . 0 N--CA 1.438 -1.067 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.01 -42.31 76.61 Favored 'General case' 0 C--N 1.34 0.155 0 O-C-N 120.788 -1.195 . . . . 0.0 107.865 178.495 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 88.6 mmm -58.31 -44.74 88.73 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 177.777 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 33.0 mmm -56.44 -56.27 23.3 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.199 178.307 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.2 m -52.03 -49.34 63.6 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 178.273 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.06 -37.5 71.92 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 118.064 0.393 . . . . 0.0 110.43 179.001 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.57 -44.88 66.47 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.487 0.715 . . . . 0.0 112.675 -178.868 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.4 m -92.46 -24.58 5.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 N-CA-C 113.695 0.998 . . . . 0.0 113.695 -174.339 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.4 ttmt -52.11 -28.37 17.51 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 119.895 1.225 . . . . 0.0 113.474 -176.305 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -69.33 -16.11 63.47 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 118.469 0.577 . . . . 0.0 112.196 179.078 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.422 ' CE1' HD22 ' A' ' 6' ' ' LEU . 20.8 m-85 -91.28 -168.82 2.15 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 125.77 1.628 . . . . 0.0 109.358 179.623 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 26.7 m -159.83 161.61 34.55 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 127.361 2.265 . . . . 0.0 106.94 -178.81 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -31.31 -48.14 0.12 Allowed 'General case' 0 C--O 1.224 -0.279 0 C-N-CA 126.654 1.982 . . . . 0.0 115.05 -177.171 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 31.3 tp10 -61.17 -52.87 63.02 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 119.152 0.887 . . . . 0.0 110.751 -179.792 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.3 mp0 -65.14 -43.23 92.56 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 124.169 0.988 . . . . 0.0 109.597 -179.683 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 76.6 mt -60.08 -44.1 95.03 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 178.523 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -61.88 -45.21 94.76 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 177.763 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.45 -47.91 82.45 Favored 'General case' 0 C--N 1.339 0.151 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 178.948 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.459 HD21 ' CB ' ' A' ' 6' ' ' LEU . 16.2 mt -58.76 -52.49 65.5 Favored 'General case' 0 N--CA 1.447 -0.622 0 O-C-N 122.002 -0.436 . . . . 0.0 111.571 179.488 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.54 -43.52 97.1 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 -178.566 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -54.85 -44.95 74.44 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 177.969 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -61.43 -66.75 0.49 Allowed 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 178.17 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.538 ' HA ' HD22 ' A' ' 79' ' ' LEU . 54.6 mtm -46.78 -34.73 5.51 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 179.104 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.8 t -58.48 -36.8 74.31 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 118.617 -0.706 . . . . 0.0 110.261 -179.091 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.8 ptmm? -91.95 -35.08 14.2 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 175.944 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.708 HD23 ' HA ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.254 1.298 0 C-N-CA 130.184 3.394 . . . . 0.0 108.639 -178.414 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.85 0 CA-C-O 116.718 -1.611 . . . . 0.0 107.078 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -62.23 118.82 7.91 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 120.734 1.606 . . . . 0.0 111.524 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.22 -49.52 67.55 Favored Glycine 0 CA--C 1.528 0.858 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.58 -47.62 69.96 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 118.57 1.185 . . . . 0.0 110.854 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.33 -47.61 85.1 Favored 'General case' 0 N--CA 1.454 -0.244 0 O-C-N 122.355 -0.215 . . . . 0.0 110.751 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.3 mt -59.77 -40.65 88.95 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 118.72 0.691 . . . . 0.0 110.303 -179.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.481 ' N ' HD21 ' A' ' 72' ' ' LEU . 1.8 t80 -76.4 -7.8 55.81 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 115.266 1.58 . . . . 0.0 115.266 -179.324 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.7 tptm -49.12 -38.36 24.79 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -175.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.8 p -71.16 -40.61 71.19 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 122.132 0.968 . . . . 0.0 112.329 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.2 m -62.89 -36.74 84.33 Favored 'General case' 0 CA--C 1.512 -0.517 0 C-N-CA 127.387 2.275 . . . . 0.0 109.408 -175.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -47.39 -30.99 2.0 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.72 0 CA-C-N 113.583 -1.644 . . . . 0.0 109.646 176.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -56.98 -44.16 92.86 Favored Glycine 0 CA--C 1.534 1.222 0 O-C-N 121.67 -0.644 . . . . 0.0 113.042 178.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 m -90.21 -45.64 8.95 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 118.456 1.128 . . . . 0.0 110.399 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 73.1 m-70 -73.92 -14.9 61.13 Favored 'General case' 0 N--CA 1.431 -1.411 0 C-N-CA 125.834 1.654 . . . . 0.0 114.384 -176.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.16 157.54 32.18 Favored Glycine 0 CA--C 1.527 0.817 0 N-CA-C 109.559 -1.416 . . . . 0.0 109.559 -179.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.38 -47.46 26.2 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.34 1.056 . . . . 0.0 111.714 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 51.7 p-10 -90.76 15.86 10.37 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 127.387 2.275 . . . . 0.0 112.892 -179.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.676 ' HA3' HD21 ' A' ' 79' ' ' LEU . . . 44.5 28.52 1.55 Allowed Glycine 0 CA--C 1.533 1.199 0 C-N-CA 125.197 1.38 . . . . 0.0 114.284 -179.146 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.5 m -107.77 -11.53 15.38 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.699 0.799 . . . . 0.0 111.52 -178.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.3 124.01 22.71 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 105.757 -1.942 . . . . 0.0 105.757 178.35 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.04 86.09 0.14 Allowed 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 179.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -40.39 126.77 2.3 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 125.504 1.522 . . . . 0.0 114.08 -175.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.7 mmt 22.81 -74.54 0.0 OUTLIER 'General case' 0 C--N 1.341 0.219 1 C-N-CA 131.802 4.041 . . . . 0.0 115.136 178.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -51.41 -43.92 52.46 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 110.297 -1.121 . . . . 0.0 110.297 179.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 74.4 p 131.39 55.59 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 131.641 3.976 . . . . 0.0 107.708 179.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.18 144.62 23.64 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 -177.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm -63.43 123.89 82.48 Favored Pre-proline 0 N--CA 1.451 -0.419 0 N-CA-C 102.498 -3.149 . . . . 0.0 102.498 173.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_exo -37.82 112.02 0.11 Allowed 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 123.353 2.702 . . . . 0.0 111.52 -177.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.5 t -61.28 -35.77 68.39 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 -177.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.79 ' HA ' HD23 ' A' ' 79' ' ' LEU . 38.4 tttp -48.37 105.95 0.09 Allowed 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 122.848 1.309 . . . . 0.0 113.369 179.515 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 68.48 37.62 85.73 Favored Glycine 0 N--CA 1.441 -0.968 0 CA-C-N 112.59 -2.095 . . . . 0.0 110.522 177.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -58.02 -42.26 84.89 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 137.21 119.02 1.78 Allowed Glycine 0 C--O 1.217 -0.91 0 C-N-CA 128.287 2.851 . . . . 0.0 107.601 176.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.02 -46.56 8.45 Favored 'General case' 0 C--O 1.225 -0.197 0 CA-C-N 121.069 2.434 . . . . 0.0 112.441 -178.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -60.65 -44.32 96.57 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 179.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -59.69 -63.8 1.17 Allowed 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 125.969 1.708 . . . . 0.0 108.464 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 32.5 mt -47.01 -50.38 19.33 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 126.417 1.887 . . . . 0.0 110.125 179.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -68.43 -46.35 70.09 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 122.748 0.419 . . . . 0.0 111.755 -178.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -57.81 -42.61 84.64 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 45.9 mttp -70.18 -43.06 71.56 Favored 'General case' 0 N--CA 1.437 -1.085 0 C-N-CA 123.542 0.737 . . . . 0.0 110.378 -178.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -63.41 -43.12 98.43 Favored 'General case' 0 C--O 1.221 -0.399 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.043 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.2 tttp -59.34 -48.2 82.55 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 106.981 -1.489 . . . . 0.0 106.981 177.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -49.62 -51.79 26.82 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.206 -1.158 . . . . 0.0 110.206 177.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -69.66 -37.74 76.83 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.678 1.239 . . . . 0.0 111.333 178.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.09 -49.59 68.75 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.337 1.055 . . . . 0.0 109.202 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -85.46 -25.43 26.92 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.219 0.607 . . . . 0.0 111.673 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.76 18.34 25.57 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 125.516 1.531 . . . . 0.0 114.24 178.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.0 t -102.17 36.4 2.13 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.01 1.324 . . . . 0.0 111.756 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -153.71 160.11 42.22 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 107.613 -1.254 . . . . 0.0 107.613 177.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -136.27 -175.11 13.64 Favored Glycine 0 C--N 1.338 0.659 0 C-N-CA 123.289 0.471 . . . . 0.0 113.512 -178.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 162.83 173.69 31.84 Favored Glycine 0 N--CA 1.426 -1.979 0 C-N-CA 128.494 2.95 . . . . 0.0 108.812 -177.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -48.44 -45.44 36.38 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 126.975 2.11 . . . . 0.0 111.882 -179.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 51.2 mtp180 -125.75 42.73 3.23 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 178.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.09 -35.62 26.17 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.728 0.811 . . . . 0.0 112.141 179.483 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.96 -51.63 60.73 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.52 0.728 . . . . 0.0 110.395 -178.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 95.7 mmm -57.65 -47.27 82.73 Favored 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 178.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 22.2 mmm -55.01 -60.13 3.79 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 114.777 -1.101 . . . . 0.0 110.114 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 64.7 m -47.77 -51.56 21.9 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 125.139 1.375 . . . . 0.0 110.01 177.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -56.85 -44.08 81.79 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-O 119.46 -0.305 . . . . 0.0 110.785 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.15 -57.19 9.18 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 121.87 0.843 . . . . 0.0 109.6 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 54.4 t -50.18 -37.77 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 C-N-CA 126.802 2.041 . . . . 0.0 112.195 -179.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.1 tppt? -48.37 -29.91 4.45 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.125 0.97 . . . . 0.0 112.338 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 51.9 tttm -58.12 -32.68 68.37 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.021 0.928 . . . . 0.0 112.739 178.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -92.76 -169.45 2.19 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-O 123.589 1.661 . . . . 0.0 111.969 -176.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.7 m -161.63 156.11 22.71 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 129.162 2.985 . . . . 0.0 107.006 -178.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -22.6 -51.88 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 127.927 2.491 . . . . 0.0 116.194 -178.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -67.1 -49.91 63.33 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.545 0.738 . . . . 0.0 110.39 -178.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -63.18 -42.44 99.38 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 87.8 mt -61.06 -46.24 91.49 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 178.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -57.74 -46.93 83.79 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.15 -43.88 97.85 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.481 HD21 ' N ' ' A' ' 7' ' ' TYR . 13.4 mt -59.6 -49.86 76.13 Favored 'General case' 0 N--CA 1.444 -0.73 0 C-N-CA 120.955 -0.298 . . . . 0.0 110.493 179.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.5 -44.15 97.59 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 -179.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -53.42 -49.57 67.04 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 178.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -60.35 -62.53 1.8 Allowed 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 118.327 -0.844 . . . . 0.0 109.084 178.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.408 ' SD ' ' CE1' ' A' ' 7' ' ' TYR . 60.1 mtm -47.74 -31.19 4.53 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 178.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.4 t -67.2 -23.2 65.72 Favored 'General case' 0 CA--C 1.529 0.148 0 O-C-N 121.506 -0.746 . . . . 0.0 112.425 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -103.01 -45.11 5.04 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 177.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.79 HD23 ' HA ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.243 0 C-N-CA 130.48 3.512 . . . . 0.0 111.312 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.7 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -51.21 120.48 5.03 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 119.424 1.011 . . . . 0.0 112.337 -178.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.61 -43.26 91.2 Favored Glycine 0 N--CA 1.447 -0.621 0 N-CA-C 110.277 -1.129 . . . . 0.0 110.277 178.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.32 -24.23 66.29 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 118.012 0.906 . . . . 0.0 112.397 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -85.72 -50.32 7.26 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 107.734 -1.209 . . . . 0.0 107.734 179.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 82.2 mt -55.81 -45.63 78.24 Favored 'General case' 0 N--CA 1.44 -0.938 0 CA-C-O 119.285 -0.388 . . . . 0.0 110.41 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.404 ' N ' HD21 ' A' ' 72' ' ' LEU . 1.3 t80 -63.89 -14.53 54.16 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 114.558 1.318 . . . . 0.0 114.558 -177.393 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -54.79 -38.67 67.57 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 119.839 1.199 . . . . 0.0 109.814 177.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.3 -5.41 10.46 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.07 1.748 . . . . 0.0 113.584 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.6 m -115.17 -38.22 3.9 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 127.14 2.176 . . . . 0.0 110.473 -175.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.1 mp -45.8 -32.74 1.38 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 C-N-CA 125.322 1.449 . . . . 0.0 110.798 178.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -51.08 -41.28 45.72 Favored Glycine 0 CA--C 1.536 1.381 0 CA-C-N 118.561 0.619 . . . . 0.0 112.054 177.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 15.3 t -94.45 -46.79 6.85 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 123.761 0.824 . . . . 0.0 110.062 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 57.9 m-70 -64.52 -17.42 63.88 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.94 1.296 . . . . 0.0 113.932 -177.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.76 115.0 0.02 OUTLIER Glycine 0 CA--C 1.524 0.607 0 N-CA-C 115.812 1.085 . . . . 0.0 115.812 175.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 59.23 -65.68 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 127.801 2.44 . . . . 0.0 113.795 176.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -165.04 63.26 0.12 Allowed 'General case' 0 N--CA 1.435 -1.198 0 N-CA-C 106.115 -1.809 . . . . 0.0 106.115 -178.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.53 26.19 70.68 Favored Glycine 0 C--N 1.339 0.737 0 C-N-CA 124.192 0.901 . . . . 0.0 113.954 -179.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 87.4 p -89.79 -25.33 21.15 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 -177.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -102.41 152.01 21.61 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 122.492 1.139 . . . . 0.0 112.61 -176.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.407 ' HB1' ' HA ' ' A' ' 25' ' ' SER . . . -75.56 89.52 2.73 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 114.307 -1.315 . . . . 0.0 108.532 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.529 ' HB1' ' CHD' ' A' ' 80' ' ' HEM . . . -40.52 68.31 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 130.454 3.502 . . . . 0.0 117.616 -177.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.5 mmt 60.41 -66.09 0.05 Allowed 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 127.844 2.458 . . . . 0.0 112.614 177.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.01 -33.13 60.24 Favored Glycine 0 CA--C 1.528 0.884 0 N-CA-C 108.616 -1.794 . . . . 0.0 108.616 176.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.407 ' HA ' ' HB1' ' A' ' 21' ' ' ALA . 36.6 m 112.0 61.5 0.0 OUTLIER 'General case' 0 C--N 1.34 0.174 0 C-N-CA 130.689 3.596 . . . . 0.0 109.323 177.187 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.86 123.59 19.33 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 118.494 -1.282 . . . . 0.0 113.733 -179.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.7 pttp -53.67 119.41 18.33 Favored Pre-proline 0 CA--C 1.539 0.557 0 N-CA-C 103.077 -2.935 . . . . 0.0 103.077 172.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 0.8 OUTLIER -20.51 102.13 0.01 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.694 1 C-N-CA 125.734 4.289 . . . . 0.0 114.847 -175.093 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.4 t -56.8 -34.72 44.13 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 N-CA-C 105.613 -1.995 . . . . 0.0 105.613 178.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.3 tttp -62.31 93.76 0.05 Allowed 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 124.624 1.169 . . . . 0.0 109.612 173.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 127.28 -14.28 6.55 Favored Glycine 0 CA--C 1.522 0.505 0 CA-C-N 113.429 -1.714 . . . . 0.0 111.999 178.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -66.36 148.3 52.06 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 118.818 1.309 . . . . 0.0 107.471 178.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -85.89 144.38 20.26 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 121.432 -0.793 . . . . 0.0 113.766 -176.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -46.63 -46.94 20.11 Favored 'General case' 0 C--O 1.223 -0.294 0 C-N-CA 125.928 1.691 . . . . 0.0 111.836 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -55.62 -52.36 64.04 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 178.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -55.07 -61.83 2.06 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 124.935 1.294 . . . . 0.0 108.765 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.7 mt -51.5 -43.46 62.22 Favored 'General case' 0 N--CA 1.439 -0.987 0 C-N-CA 125.387 1.475 . . . . 0.0 111.635 -179.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -69.23 -46.55 67.07 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 118.602 0.637 . . . . 0.0 110.229 -178.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -63.88 -39.53 94.41 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 120.136 -0.625 . . . . 0.0 109.893 -177.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -74.0 -46.35 44.25 Favored 'General case' 0 N--CA 1.438 -1.044 0 C-N-CA 122.591 0.356 . . . . 0.0 111.24 -177.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -65.8 -38.31 88.63 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 179.503 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -64.25 -43.12 95.86 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 106.775 -1.565 . . . . 0.0 106.775 176.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.68 -41.45 57.34 Favored Glycine 0 CA--C 1.532 1.133 0 N-CA-C 110.16 -1.176 . . . . 0.0 110.16 176.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -75.23 -35.36 61.46 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 118.241 1.02 . . . . 0.0 109.887 176.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.36 -50.1 70.54 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 178.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -77.67 -31.96 52.84 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 177.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.35 -3.9 40.43 Favored Glycine 0 CA--C 1.529 0.918 0 C-N-CA 124.998 1.285 . . . . 0.0 114.826 176.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.9 t -72.37 -32.76 66.72 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 118.764 1.282 . . . . 0.0 111.861 -178.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -80.28 150.12 30.1 Favored 'General case' 0 C--N 1.343 0.316 0 CA-C-N 120.093 1.315 . . . . 0.0 108.606 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -128.52 -169.41 12.6 Favored Glycine 0 C--N 1.335 0.478 0 CA-C-O 122.011 0.784 . . . . 0.0 112.666 -179.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 162.53 176.14 34.29 Favored Glycine 0 N--CA 1.421 -2.323 0 C-N-CA 127.94 2.686 . . . . 0.0 108.769 -178.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -50.91 -28.23 9.22 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 126.391 1.877 . . . . 0.0 112.214 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -138.48 43.06 2.16 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 118.633 0.652 . . . . 0.0 109.782 178.556 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.95 -36.55 39.3 Favored 'General case' 0 C--N 1.343 0.29 0 C-N-CA 123.611 0.764 . . . . 0.0 112.699 -179.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.09 -53.15 58.16 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.49 0.716 . . . . 0.0 111.392 -177.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -60.06 -42.48 94.61 Favored 'General case' 0 N--CA 1.456 -0.131 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 179.293 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 28.8 mmm -56.14 -60.61 3.25 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 178.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 87.6 m -48.15 -47.22 35.04 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.517 1.127 . . . . 0.0 109.656 177.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -61.74 -38.53 88.32 Favored 'General case' 0 CA--C 1.532 0.279 0 O-C-N 121.696 -0.628 . . . . 0.0 111.63 179.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.36 -34.04 65.38 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 118.447 0.567 . . . . 0.0 111.628 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 59.8 t -84.89 -43.2 16.98 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.188 0 C-N-CA 127.045 2.138 . . . . 0.0 116.005 -175.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.91 -30.88 0.44 Allowed 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 115.446 1.647 . . . . 0.0 115.446 -176.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.7 ptpp? -73.99 -17.06 61.04 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 113.348 0.869 . . . . 0.0 113.348 -178.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -80.12 -171.66 3.06 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-O 124.065 1.888 . . . . 0.0 110.675 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 36.1 m -155.93 163.68 39.45 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 128.749 2.819 . . . . 0.0 107.153 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -34.28 -50.93 0.43 Allowed 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.644 1.578 . . . . 0.0 114.668 -177.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -62.42 -50.93 69.56 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 121.068 0.461 . . . . 0.0 110.135 -178.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -58.36 -46.2 86.74 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 179.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 39.7 mt -58.81 -51.57 69.42 Favored 'General case' 0 C--N 1.338 0.099 0 CA-C-N 117.735 0.243 . . . . 0.0 110.439 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -57.62 -44.46 85.52 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 123.299 0.64 . . . . 0.0 109.994 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.82 -46.93 79.91 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 -179.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.472 HD23 ' HA ' ' A' ' 72' ' ' LEU . 13.0 mt -60.3 -50.52 73.31 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-O 119.475 -0.298 . . . . 0.0 110.321 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.23 -40.83 91.6 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -57.62 -52.0 67.22 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 177.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -55.6 -59.34 4.98 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 179.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 62.3 mtm -49.35 -39.81 33.22 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 177.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.3 t -71.51 -15.06 62.29 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 121.005 -1.059 . . . . 0.0 112.728 -179.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -93.77 0.72 56.46 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 118.75 0.705 . . . . 0.0 109.775 177.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 88.8 mt . . . . . 0 C--O 1.25 1.091 0 CA-C-O 117.27 -1.348 . . . . 0.0 109.268 176.955 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' HEM . . . . . 0.529 ' CHD' ' HB1' ' A' ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.728 0 N-CA-C 106.62 -1.622 . . . . 0.0 106.62 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -57.29 144.28 36.34 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 106.826 -1.546 . . . . 0.0 106.826 176.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 77.8 80.65 0.67 Allowed Glycine 0 N--CA 1.44 -1.097 1 N-CA-C 100.449 -5.06 . . . . 0.0 100.449 -171.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 118.82 -38.46 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 130.451 3.501 . . . . 0.0 107.397 -173.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.22 -22.11 33.22 Favored 'General case' 0 C--N 1.347 0.483 0 C-N-CA 118.634 -1.226 . . . . 0.0 110.168 -176.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.496 ' HB2' HD13 ' A' ' 72' ' ' LEU . 17.7 mt -88.79 -40.02 13.49 Favored 'General case' 0 N--CA 1.431 -1.376 0 N-CA-C 106.001 -1.852 . . . . 0.0 106.001 -179.112 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.405 ' CE1' ' SD ' ' A' ' 76' ' ' MET . 2.0 t80 -64.33 -22.21 66.87 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 -178.496 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.1 tptm -51.81 -33.95 37.97 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 118.598 0.635 . . . . 0.0 110.213 178.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.19 7.84 2.51 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.696 1.598 . . . . 0.0 113.223 178.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.433 ' HB3' ' C4B' ' A' ' 80' ' ' HEM . 4.2 m -128.79 -37.29 1.76 Allowed 'General case' 0 C--O 1.235 0.322 0 C-N-CA 127.144 2.178 . . . . 0.0 109.997 -173.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 21.2 mm -40.97 -35.95 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 C-N-CA 126.36 1.864 . . . . 0.0 110.51 176.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -47.99 -44.06 25.01 Favored Glycine 0 CA--C 1.537 1.431 0 CA-C-O 119.679 -0.512 . . . . 0.0 112.853 178.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.1 m -92.96 -44.99 8.16 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 118.033 0.916 . . . . 0.0 110.459 179.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 41.0 m-70 -71.58 -14.24 62.02 Favored 'General case' 0 N--CA 1.434 -1.227 0 C-N-CA 126.828 2.051 . . . . 0.0 115.579 -175.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 83.65 160.69 30.59 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 110.359 -1.097 . . . . 0.0 110.359 -179.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -42.72 -18.85 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 128.018 2.527 . . . . 0.0 116.357 -177.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -153.28 40.37 0.53 Allowed 'General case' 0 N--CA 1.439 -0.985 0 CA-C-N 119.453 1.024 . . . . 0.0 109.862 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 53.52 29.32 39.21 Favored Glycine 0 C--N 1.341 0.852 0 CA-C-N 117.809 0.277 . . . . 0.0 112.95 179.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.2 p -90.8 -34.28 15.37 Favored 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 127.444 2.298 . . . . 0.0 111.865 -177.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -73.72 124.87 26.85 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 -179.301 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.16 85.2 0.37 Allowed 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 105.99 -1.855 . . . . 0.0 105.99 176.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -41.37 131.91 2.76 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 125.453 1.501 . . . . 0.0 114.202 -176.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.5 mmt 22.01 -78.9 0.0 OUTLIER 'General case' 0 C--N 1.342 0.262 0 C-N-CA 131.167 3.787 . . . . 0.0 115.39 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -52.13 -33.48 37.8 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 123.284 0.468 . . . . 0.0 112.141 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 67.6 m 119.13 59.95 0.0 OUTLIER 'General case' 0 N--CA 1.458 -0.071 1 C-N-CA 131.898 4.079 . . . . 0.0 106.655 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.12 142.49 36.53 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 114.235 1.198 . . . . 0.0 114.235 -178.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.4 mtmm -62.96 119.63 53.58 Favored Pre-proline 0 N--CA 1.45 -0.462 0 N-CA-C 102.614 -3.106 . . . . 0.0 102.614 174.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_exo -33.58 106.62 0.04 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 124.1 3.2 . . . . 0.0 113.137 -177.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.7 t -55.03 -35.14 33.69 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.2 tptt -40.23 92.52 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 127.721 2.408 . . . . 0.0 113.608 174.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 73.64 39.47 48.86 Favored Glycine 0 N--CA 1.447 -0.633 0 CA-C-N 112.606 -2.088 . . . . 0.0 111.41 177.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -57.73 -45.94 85.11 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 139.01 126.07 2.35 Favored Glycine 0 C--O 1.215 -1.091 0 C-N-CA 127.96 2.695 . . . . 0.0 108.459 175.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -50.31 -44.22 54.06 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 122.117 2.959 . . . . 0.0 112.181 -178.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -59.57 -53.23 60.48 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 122.507 1.146 . . . . 0.0 108.675 178.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -50.36 -63.8 1.01 Allowed 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 112.762 -2.017 . . . . 0.0 109.261 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.6 mt -50.93 -45.44 60.53 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 127.28 2.232 . . . . 0.0 110.469 178.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -63.9 -49.77 71.35 Favored 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 121.871 -0.518 . . . . 0.0 110.757 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.2 ttpm? -57.47 -42.12 81.98 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.6 mttm -62.48 -52.35 63.86 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 123.967 0.907 . . . . 0.0 110.11 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 67.9 mtm -64.36 -36.46 84.2 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 118.187 -0.911 . . . . 0.0 111.258 179.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.9 tptm -59.88 -46.25 89.92 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 106.074 -1.824 . . . . 0.0 106.074 177.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -53.81 -56.69 19.29 Favored Glycine 0 CA--C 1.528 0.85 0 N-CA-C 110.796 -0.922 . . . . 0.0 110.796 177.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -66.01 -41.98 90.29 Favored 'General case' 0 C--N 1.341 0.199 0 CA-C-N 118.786 1.293 . . . . 0.0 111.477 -179.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.73 -46.63 64.07 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.568 1.147 . . . . 0.0 108.532 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -88.3 6.98 34.45 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.272 1.029 . . . . 0.0 112.469 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 56.03 31.16 58.49 Favored Glycine 0 CA--C 1.532 1.099 0 C-N-CA 124.481 1.039 . . . . 0.0 112.977 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.8 t -118.17 38.95 3.54 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 125.784 1.634 . . . . 0.0 111.504 -178.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -159.48 158.8 32.64 Favored 'General case' 0 C--O 1.232 0.18 0 N-CA-C 107.27 -1.381 . . . . 0.0 107.27 179.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -135.3 175.34 20.75 Favored Glycine 0 C--N 1.339 0.708 0 CA-C-O 121.803 0.669 . . . . 0.0 114.121 -177.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 172.52 174.68 39.98 Favored Glycine 0 N--CA 1.427 -1.916 1 C-N-CA 130.791 4.043 . . . . 0.0 107.612 -178.079 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -53.52 -45.76 69.86 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 125.348 1.459 . . . . 0.0 112.261 -178.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -116.7 38.33 3.5 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.893 0.877 . . . . 0.0 110.069 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.42 -28.83 56.66 Favored 'General case' 0 C--O 1.225 -0.204 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 -179.374 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.39 -55.93 13.45 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 118.735 0.698 . . . . 0.0 109.525 -179.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 35.4 mtt -55.85 -48.37 75.62 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 178.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.7 mmm -56.33 -52.8 63.21 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.496 179.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 32.1 m -53.81 -52.9 58.84 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 179.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -55.28 -42.51 73.67 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 117.862 0.301 . . . . 0.0 110.543 178.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.65 -43.18 97.5 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 118.437 -0.792 . . . . 0.0 112.902 -178.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.6 m -90.55 -34.93 6.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-N 120.252 1.387 . . . . 0.0 112.316 -176.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -55.96 -24.95 41.52 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -175.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -70.39 -16.01 62.91 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 118.744 0.702 . . . . 0.0 111.355 178.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -91.83 -176.57 4.48 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-O 122.65 1.214 . . . . 0.0 110.241 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 32.5 m -127.08 161.0 29.46 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 127.683 2.393 . . . . 0.0 109.696 -179.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -39.83 -50.34 2.41 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.402 1.481 . . . . 0.0 113.826 -179.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -59.2 -47.5 85.09 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-O 121.269 0.557 . . . . 0.0 110.369 -178.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -63.62 -43.94 95.37 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 72.6 mt -57.84 -49.05 77.96 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 178.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.3 ttpp -55.39 -50.51 69.56 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 178.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.56 -45.21 73.45 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.023 0.529 . . . . 0.0 109.706 178.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.496 HD13 ' HB2' ' A' ' 6' ' ' LEU . 1.6 tp -60.16 -51.43 69.64 Favored 'General case' 0 N--CA 1.449 -0.52 0 O-C-N 121.999 -0.438 . . . . 0.0 111.21 179.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.95 -40.23 97.04 Favored 'General case' 0 CA--C 1.516 -0.332 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 -178.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -55.44 -51.28 67.42 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 107.319 -1.363 . . . . 0.0 107.319 177.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -57.9 -59.42 5.28 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 110.436 -0.209 . . . . 0.0 110.436 179.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.405 ' SD ' ' CE1' ' A' ' 7' ' ' TYR . 66.9 mtm -49.99 -40.84 45.54 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 179.029 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.1 t -71.84 -14.83 62.07 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 121.146 -0.971 . . . . 0.0 112.161 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -104.57 10.55 34.95 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.743 1.217 . . . . 0.0 110.451 179.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 75.2 mt . . . . . 0 C--O 1.251 1.137 0 CA-C-O 117.21 -1.376 . . . . 0.0 109.533 177.053 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' HEM . . . . . 0.433 ' C4B' ' HB3' ' A' ' 10' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.675 0 CA-C-O 117.465 -1.255 . . . . 0.0 107.773 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -64.46 125.98 26.38 Favored 'General case' 0 CA--C 1.528 0.112 0 CA-C-N 118.928 0.786 . . . . 0.0 109.916 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.83 -34.36 77.49 Favored Glycine 0 N--CA 1.445 -0.755 0 CA-C-O 119.323 -0.71 . . . . 0.0 111.575 177.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.16 -27.48 65.7 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 118.631 1.215 . . . . 0.0 110.231 177.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.07 -32.03 16.89 Favored 'General case' 0 N--CA 1.443 -0.8 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 178.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.422 ' C ' HD21 ' A' ' 72' ' ' LEU . 36.1 mt -73.57 -31.92 63.87 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 118.377 -1.329 . . . . 0.0 110.515 -177.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.478 ' HD1' HD22 ' A' ' 72' ' ' LEU . 0.9 OUTLIER -76.61 -7.64 55.65 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 -178.19 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -52.36 -41.42 63.05 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 119.576 1.08 . . . . 0.0 112.789 -179.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 p -69.77 -8.3 46.91 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.857 1.263 . . . . 0.0 113.103 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.3 m -106.59 -38.86 6.02 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 126.863 2.065 . . . . 0.0 110.011 -175.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.1 mp -44.1 -37.48 1.28 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 C-N-CA 125.638 1.575 . . . . 0.0 110.447 177.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -48.99 -43.3 31.3 Favored Glycine 0 CA--C 1.533 1.19 0 C-N-CA 123.641 0.639 . . . . 0.0 112.61 178.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.9 m -93.85 -43.13 8.74 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 117.718 0.759 . . . . 0.0 110.604 179.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.586 ' HB3' ' HA2' ' A' ' 18' ' ' GLY . 91.5 m-70 -71.38 -18.37 62.36 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 -175.413 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.73 115.95 0.52 Allowed Glycine 0 CA--C 1.532 1.097 0 N-CA-C 116.815 1.486 . . . . 0.0 116.815 174.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 61.76 -70.37 0.05 OUTLIER 'General case' 0 C--N 1.343 0.296 0 C-N-CA 128.306 2.642 . . . . 0.0 112.01 177.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -130.84 -25.8 2.27 Favored 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 127.879 2.472 . . . . 0.0 110.895 179.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.586 ' HA2' ' HB3' ' A' ' 14' ' ' HIS . . . 139.86 34.6 0.14 Allowed Glycine 0 CA--C 1.526 0.765 0 C-N-CA 127.088 2.28 . . . . 0.0 112.113 177.303 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.5 m -84.18 -22.82 30.81 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 124.924 1.289 . . . . 0.0 114.097 -177.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -94.16 153.35 18.14 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 122.749 1.261 . . . . 0.0 113.039 -176.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.86 84.35 2.8 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 106.441 -1.688 . . . . 0.0 106.441 177.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -39.61 133.28 1.49 Allowed 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 114.92 1.452 . . . . 0.0 114.92 -176.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 26.0 mmt 19.5 -77.67 0.0 OUTLIER 'General case' 0 C--N 1.342 0.252 0 C-N-CA 131.419 3.888 . . . . 0.0 115.64 178.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -50.61 -40.21 39.64 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 65.2 m 126.9 59.48 0.0 OUTLIER 'General case' 0 CA--C 1.528 0.11 1 C-N-CA 131.919 4.088 . . . . 0.0 106.783 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.35 153.97 14.5 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 -178.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -66.9 122.49 82.66 Favored Pre-proline 0 N--CA 1.446 -0.653 0 N-CA-C 100.854 -3.758 . . . . 0.0 100.854 172.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -41.19 110.77 0.14 Allowed 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.365 2.71 . . . . 0.0 110.72 -175.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.3 t -54.02 -46.39 65.63 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 -177.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 51.2 tttp -44.67 104.41 0.04 OUTLIER 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 122.812 1.291 . . . . 0.0 113.944 175.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 83.03 26.2 45.74 Favored Glycine 0 N--CA 1.442 -0.903 0 CA-C-N 112.901 -1.954 . . . . 0.0 112.476 175.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -64.26 -38.26 90.43 Favored 'General case' 0 N--CA 1.426 -1.627 0 CA-C-N 118.959 1.38 . . . . 0.0 107.325 178.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 121.5 125.69 3.19 Favored Glycine 0 C--O 1.216 -0.973 0 C-N-CA 127.842 2.639 . . . . 0.0 109.731 176.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.22 -48.29 9.34 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 120.919 2.359 . . . . 0.0 112.959 -177.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -60.67 -42.64 97.45 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 121.388 0.613 . . . . 0.0 110.054 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.4 -62.84 1.57 Allowed 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 126.312 1.845 . . . . 0.0 108.214 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 23.7 mt -49.29 -45.15 44.75 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 127.53 2.332 . . . . 0.0 109.679 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -65.04 -52.07 57.95 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 119.017 -0.516 . . . . 0.0 110.507 178.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.66 -39.23 76.6 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 118.455 0.571 . . . . 0.0 109.63 -179.707 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 36.9 mmtm -64.54 -51.38 63.18 Favored 'General case' 0 N--CA 1.441 -0.906 0 C-N-CA 124.163 0.985 . . . . 0.0 109.783 -179.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.431 ' HG3' HMA1 ' A' ' 80' ' ' HEM . 1.4 mtm -60.81 -44.09 97.35 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-O 118.854 -0.593 . . . . 0.0 109.865 178.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 45.4 tptt -56.32 -47.74 78.11 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 107.039 -1.467 . . . . 0.0 107.039 178.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.18 -50.58 45.52 Favored Glycine 0 CA--C 1.529 0.934 0 N-CA-C 110.724 -0.95 . . . . 0.0 110.724 177.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -68.61 -39.18 80.95 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 118.804 1.302 . . . . 0.0 110.83 178.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.29 -52.13 64.45 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.065 1.346 . . . . 0.0 109.617 -178.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.8 p30 -84.63 -20.11 31.88 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.555 0.742 . . . . 0.0 111.863 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.7 19.18 52.8 Favored Glycine 0 CA--C 1.531 1.056 0 C-N-CA 124.79 1.186 . . . . 0.0 113.633 178.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.4 t -100.71 37.33 1.73 Allowed 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 118.636 1.218 . . . . 0.0 110.701 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -165.08 163.04 20.6 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 125.052 1.341 . . . . 0.0 107.49 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.14 -179.01 28.31 Favored Glycine 0 C--N 1.335 0.524 0 CA-C-O 121.682 0.601 . . . . 0.0 112.367 -179.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.429 ' H ' ' HB3' ' A' ' 54' ' ' LYS . . . -178.91 175.42 47.32 Favored Glycine 0 N--CA 1.424 -2.147 0 C-N-CA 130.422 3.868 . . . . 0.0 106.929 -178.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -43.15 -50.66 6.22 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 125.414 1.485 . . . . 0.0 111.955 -179.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -110.57 37.45 2.75 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.707 1.203 . . . . 0.0 111.158 -179.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.429 ' HB3' ' H ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -47.79 -40.36 20.67 Favored 'General case' 0 C--N 1.342 0.273 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 -178.74 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.28 -53.35 56.44 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.165 0.586 . . . . 0.0 110.467 -178.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.09 -46.14 82.79 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 179.48 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 17.2 mmm -55.14 -58.57 7.12 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.366 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 90.8 m -50.12 -46.88 54.12 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.099 0.959 . . . . 0.0 109.257 177.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -57.81 -38.48 75.62 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.071 0.548 . . . . 0.0 110.844 178.182 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.56 -32.88 58.44 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.444 0.698 . . . . 0.0 111.683 -179.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 42.8 t -86.41 -35.75 9.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 125.991 1.717 . . . . 0.0 115.382 -176.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.1 ptmm? -52.0 -29.4 20.71 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 119.917 1.235 . . . . 0.0 113.438 -177.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 34.7 pttt -74.34 -8.19 55.41 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -112.11 141.04 46.27 Favored 'General case' 0 N--CA 1.439 -0.975 0 C-N-CA 125.441 1.497 . . . . 0.0 107.576 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 88.5 p -104.67 164.27 11.89 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 127.74 2.416 . . . . 0.0 109.449 -178.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -33.79 -50.35 0.36 Allowed 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 125.611 1.565 . . . . 0.0 114.877 -177.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.8 tp10 -66.47 -44.36 82.95 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 120.857 0.361 . . . . 0.0 110.938 -178.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -63.52 -43.78 96.19 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 74.8 mt -59.56 -48.88 79.95 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.77 0.828 . . . . 0.0 109.546 177.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -57.62 -47.75 81.33 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.169 0.587 . . . . 0.0 109.7 178.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.15 -44.27 97.58 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.478 HD22 ' HD1' ' A' ' 7' ' ' TYR . 15.1 mt -60.7 -49.1 78.88 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-O 119.049 -0.5 . . . . 0.0 110.736 179.214 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.82 -42.58 89.55 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 -178.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -55.39 -50.79 68.82 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 177.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -58.58 -56.84 16.91 Favored 'General case' 0 C--N 1.342 0.245 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.581 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.424 ' SD ' HMA3 ' A' ' 80' ' ' HEM . 60.2 mtm -49.59 -42.62 44.98 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 118.432 0.56 . . . . 0.0 112.156 178.588 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.3 t -65.83 -6.97 13.69 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 117.994 -1.003 . . . . 0.0 113.073 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -107.55 5.93 27.51 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.979 1.312 . . . . 0.0 111.092 179.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.111 0 CA-C-O 117.255 -1.355 . . . . 0.0 109.39 176.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' HEM . . . . . 0.431 HMA1 ' HG3' ' A' ' 41' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.642 0 CA-C-O 117.985 -1.007 . . . . 0.0 108.461 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -59.38 136.55 58.01 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 118.572 0.624 . . . . 0.0 110.891 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.64 -60.57 8.67 Favored Glycine 0 N--CA 1.447 -0.579 0 N-CA-C 109.994 -1.242 . . . . 0.0 109.994 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -49.36 -45.64 46.08 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 117.52 0.66 . . . . 0.0 110.804 -179.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.02 -37.79 77.73 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 112.408 0.521 . . . . 0.0 112.408 -179.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 58.8 mt -74.81 -45.35 44.08 Favored 'General case' 0 N--CA 1.438 -1.051 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 178.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -57.29 -22.31 40.85 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 -176.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.1 mtmm -53.64 -34.87 60.05 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 121.232 -0.918 . . . . 0.0 110.657 178.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.32 -4.68 15.22 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.984 1.313 . . . . 0.0 113.565 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.1 m -111.34 -38.36 5.01 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 127.112 2.165 . . . . 0.0 110.649 -175.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.2 mp -45.7 -32.37 1.27 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 C-N-CA 125.505 1.522 . . . . 0.0 110.827 178.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -50.82 -43.7 48.18 Favored Glycine 0 CA--C 1.537 1.418 0 CA-C-N 118.343 0.519 . . . . 0.0 112.123 177.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.1 m -95.35 -44.1 7.72 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 117.809 0.804 . . . . 0.0 110.105 179.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.454 ' CE1' HG21 ' A' ' 29' ' ' VAL . 87.2 m-70 -65.96 -20.37 66.18 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.741 0.816 . . . . 0.0 113.169 -176.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 73.09 102.57 0.07 OUTLIER Glycine 0 CA--C 1.526 0.772 0 N-CA-C 115.806 1.082 . . . . 0.0 115.806 174.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 66.13 -48.72 0.42 Allowed 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 128.512 2.725 . . . . 0.0 114.491 176.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -146.56 -65.1 0.29 Allowed 'General case' 0 N--CA 1.435 -1.214 0 C-N-CA 127.602 2.361 . . . . 0.0 106.697 -178.434 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -179.93 32.78 0.06 OUTLIER Glycine 0 CA--C 1.52 0.346 0 N-CA-C 108.334 -1.906 . . . . 0.0 108.334 177.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 86.5 p -78.67 -32.81 47.32 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 124.694 1.197 . . . . 0.0 111.586 -177.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -90.61 135.76 33.5 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-O 121.456 0.646 . . . . 0.0 109.867 -178.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.84 83.38 0.92 Allowed 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 105.392 -2.077 . . . . 0.0 105.392 177.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -33.82 128.82 0.34 Allowed 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 125.786 1.634 . . . . 0.0 114.478 -175.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 96.1 mmm 20.09 -77.6 0.0 OUTLIER 'General case' 0 C--N 1.343 0.317 0 C-N-CA 130.36 3.464 . . . . 0.0 113.193 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.53 44.37 1.7 Allowed Glycine 0 CA--C 1.534 1.246 0 CA-C-N 118.533 0.606 . . . . 0.0 111.956 178.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.7 p 48.22 53.54 11.63 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 126.503 1.921 . . . . 0.0 111.516 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.29 149.22 29.39 Favored 'General case' 0 N--CA 1.448 -0.564 0 N-CA-C 114.177 1.176 . . . . 0.0 114.177 -179.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.0 mtmm -61.59 122.97 74.7 Favored Pre-proline 0 CA--C 1.535 0.38 0 N-CA-C 102.936 -2.987 . . . . 0.0 102.936 173.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_exo -37.12 109.15 0.06 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.519 0 C-N-CA 123.54 2.827 . . . . 0.0 112.327 -178.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.454 HG21 ' CE1' ' A' ' 14' ' ' HIS . 76.9 t -58.84 -34.06 51.24 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -178.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.2 tmtm? -66.21 89.23 0.13 Allowed 'General case' 0 CA--C 1.515 -0.399 0 CA-C-O 122.574 1.178 . . . . 0.0 108.082 174.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 134.69 -11.56 4.57 Favored Glycine 0 CA--C 1.523 0.572 0 CA-C-N 112.647 -2.069 . . . . 0.0 113.178 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -67.85 147.52 52.42 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 119.598 1.699 . . . . 0.0 106.82 178.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.93 144.9 17.32 Favored Glycine 0 N--CA 1.475 1.296 0 CA-C-O 118.54 -1.145 . . . . 0.0 114.124 -175.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.19 -48.3 9.25 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 119.837 1.819 . . . . 0.0 113.364 -177.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -59.82 -44.41 94.04 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -59.95 -64.68 0.86 Allowed 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 179.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 53.6 mt -44.34 -48.28 9.66 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 127.107 2.163 . . . . 0.0 110.603 -179.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -69.54 -49.75 51.41 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 119.054 -0.498 . . . . 0.0 111.99 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -60.27 -40.32 89.95 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 118.793 0.724 . . . . 0.0 109.7 -179.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 41.0 mmtm -66.02 -51.4 58.65 Favored 'General case' 0 N--CA 1.437 -1.085 0 C-N-CA 124.962 1.305 . . . . 0.0 109.506 -179.043 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 53.9 mtm -63.7 -38.65 91.91 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-O 117.726 -1.13 . . . . 0.0 110.061 178.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -60.5 -44.82 95.57 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 121.156 1.798 . . . . 0.0 106.889 177.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -51.71 -48.64 49.76 Favored Glycine 0 CA--C 1.532 1.115 0 N-CA-C 110.423 -1.071 . . . . 0.0 110.423 176.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -71.26 -37.44 71.93 Favored 'General case' 0 CA--C 1.534 0.329 0 O-C-N 121.116 -1.226 . . . . 0.0 110.841 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.19 -60.38 3.47 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 126.472 1.909 . . . . 0.0 110.543 -177.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -144.05 25.2 1.6 Allowed 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 -176.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -131.32 18.76 4.93 Favored Glycine 0 CA--C 1.526 0.729 0 CA-C-N 119.177 0.898 . . . . 0.0 112.881 -178.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.0 t 39.2 42.59 0.77 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 127.503 2.321 . . . . 0.0 112.098 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -65.36 160.1 22.59 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 176.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -121.61 -177.77 15.6 Favored Glycine 0 C--N 1.338 0.688 0 N-CA-C 116.862 1.505 . . . . 0.0 116.862 -177.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 165.06 175.61 35.93 Favored Glycine 0 N--CA 1.425 -2.047 1 C-N-CA 131.291 4.281 . . . . 0.0 106.055 -177.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -55.23 -38.47 68.5 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 124.076 0.951 . . . . 0.0 110.95 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 72.2 mtp85 -121.28 37.93 4.21 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 124.074 0.95 . . . . 0.0 110.599 -179.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -45.19 -42.79 9.53 Favored 'General case' 0 N--CA 1.439 -0.99 0 C-N-CA 125.256 1.422 . . . . 0.0 112.874 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.49 -44.98 95.07 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.516 0.727 . . . . 0.0 111.363 -178.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -63.11 -44.24 96.19 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 38.1 mmm -60.13 -60.45 3.8 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.771 179.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 19.6 m -51.8 -41.05 61.41 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-N 119.249 0.931 . . . . 0.0 110.322 177.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -58.84 -48.8 80.06 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 119.876 1.216 . . . . 0.0 110.257 178.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.18 -40.87 90.78 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -179.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 71.5 t -79.55 -41.23 22.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 125.85 1.66 . . . . 0.0 114.713 -175.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -56.1 -30.72 62.46 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 119.453 1.024 . . . . 0.0 111.572 -177.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.9 ptmm? -80.5 9.96 5.31 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 118.962 -0.542 . . . . 0.0 112.157 178.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -121.01 141.02 51.12 Favored 'General case' 0 N--CA 1.441 -0.899 0 C-N-CA 125.394 1.478 . . . . 0.0 107.121 177.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 53.9 p -93.14 168.29 11.21 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 127.654 2.381 . . . . 0.0 109.534 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -47.81 -41.52 23.86 Favored 'General case' 0 C--O 1.224 -0.282 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -61.83 -54.57 40.35 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 118.403 0.547 . . . . 0.0 109.713 179.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -55.47 -51.04 68.27 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.997 0.919 . . . . 0.0 109.793 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 70.6 mt -58.99 -48.25 82.23 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.454 1.102 . . . . 0.0 110.709 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 29.2 tptp -62.34 -40.36 96.12 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.91 -47.87 78.87 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 72' ' ' LEU . 14.9 mt -58.31 -52.16 66.78 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-O 119.268 -0.396 . . . . 0.0 110.787 179.041 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.51 -42.45 98.82 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 119.198 -0.43 . . . . 0.0 110.205 -178.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -53.56 -48.88 68.74 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 177.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -62.06 -59.23 5.38 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 178.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 68.2 mtm -49.96 -30.98 11.47 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.631 0.974 . . . . 0.0 113.631 178.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.8 t -68.86 -22.48 64.21 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 120.617 -1.302 . . . . 0.0 112.379 -179.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.5 ptpp? -112.46 29.09 8.21 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.242 1.017 . . . . 0.0 109.493 178.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 21.1 tp . . . . . 0 C--O 1.251 1.169 0 C-N-CA 126.246 1.818 . . . . 0.0 111.379 -179.425 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.124 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -169.68 153.44 5.0 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 105.752 -1.944 . . . . 0.0 105.752 -172.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 81.89 83.97 0.8 Allowed Glycine 0 N--CA 1.438 -1.229 1 N-CA-C 100.687 -4.965 . . . . 0.0 100.687 -174.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 119.29 -26.7 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 130.619 3.568 . . . . 0.0 107.901 -173.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.44 -34.41 17.51 Favored 'General case' 0 C--N 1.348 0.512 0 C-N-CA 118.937 -1.105 . . . . 0.0 109.603 -177.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.531 ' C ' HD21 ' A' ' 72' ' ' LEU . 5.2 mp -75.56 -28.03 58.84 Favored 'General case' 0 N--CA 1.44 -0.97 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.313 -177.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.482 ' N ' HD21 ' A' ' 72' ' ' LEU . 1.7 t80 -78.07 -11.36 59.91 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 -178.183 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -49.36 -48.93 46.37 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 119.365 0.984 . . . . 0.0 112.6 -178.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.5 m -74.96 19.24 0.15 Allowed 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 114.212 1.19 . . . . 0.0 114.212 -177.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.5 m -120.66 -35.14 3.44 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 126.418 1.887 . . . . 0.0 108.594 -177.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.9 mm -48.37 -34.17 4.98 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 C-N-CA 126.069 1.748 . . . . 0.0 109.378 176.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -50.35 -42.2 41.67 Favored Glycine 0 CA--C 1.534 1.249 0 C-N-CA 123.581 0.61 . . . . 0.0 112.597 178.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.9 m -98.22 -43.07 7.13 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 118.119 0.96 . . . . 0.0 110.908 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -80.83 -11.05 59.66 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 114.912 1.449 . . . . 0.0 114.912 -175.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.1 163.4 32.29 Favored Glycine 0 CA--C 1.528 0.878 0 CA-C-N 119.181 0.9 . . . . 0.0 111.299 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -41.55 -62.7 0.83 Allowed 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 125.37 1.468 . . . . 0.0 112.138 -178.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -88.89 27.14 1.39 Allowed 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 125.48 1.512 . . . . 0.0 111.499 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 44.35 28.08 1.36 Allowed Glycine 0 CA--C 1.534 1.263 0 C-N-CA 125.404 1.478 . . . . 0.0 115.056 179.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.6 p -95.91 -20.59 18.65 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 126.163 1.785 . . . . 0.0 112.867 -176.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 49.2 tttm -68.38 125.83 27.7 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.68 80.7 1.11 Allowed 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 106.886 -1.524 . . . . 0.0 106.886 178.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -33.39 126.85 0.36 Allowed 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 126.938 2.095 . . . . 0.0 114.699 -177.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 20.6 mmt 27.47 -83.35 0.0 OUTLIER 'General case' 0 C--N 1.342 0.239 0 C-N-CA 130.249 3.42 . . . . 0.0 113.299 179.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.23 43.79 1.81 Allowed Glycine 0 CA--C 1.531 1.054 0 CA-C-N 118.779 0.718 . . . . 0.0 111.873 179.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 33.1 m 52.04 56.03 8.37 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 125.442 1.497 . . . . 0.0 111.187 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.44 ' HA ' HAD1 ' A' ' 80' ' ' HEM . . . -56.74 141.34 44.49 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.7 mtmm -57.84 112.67 5.09 Favored Pre-proline 0 CA--C 1.54 0.566 0 N-CA-C 104.858 -2.275 . . . . 0.0 104.858 173.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -37.0 111.95 0.09 OUTLIER 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 124.092 3.195 . . . . 0.0 112.277 -176.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.4 m -68.29 -23.79 28.94 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 -178.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.506 ' HA ' HD23 ' A' ' 79' ' ' LEU . 46.0 tptt -49.59 105.74 0.09 Allowed 'General case' 0 CA--C 1.517 -0.321 0 CA-C-O 122.481 1.134 . . . . 0.0 112.669 175.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 89.18 10.66 65.84 Favored Glycine 0 N--CA 1.445 -0.749 0 CA-C-N 113.22 -1.809 . . . . 0.0 112.209 176.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.423 ' HB2' HD21 ' A' ' 37' ' ' LEU . 54.7 mt-30 -64.45 148.59 50.23 Favored 'General case' 0 CA--C 1.551 1.019 0 N-CA-C 104.74 -2.319 . . . . 0.0 104.74 177.051 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.42 138.46 36.2 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 120.056 -1.653 . . . . 0.0 112.599 -176.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.94 -45.4 41.71 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 120.298 2.049 . . . . 0.0 111.445 179.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -62.29 -43.08 99.64 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 178.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -59.46 -59.26 5.73 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.997 1.319 . . . . 0.0 108.032 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.423 HD21 ' HB2' ' A' ' 32' ' ' GLN . 62.0 mt -49.56 -48.42 48.57 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 127.3 2.24 . . . . 0.0 110.064 178.524 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -61.12 -54.58 42.73 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 122.773 0.429 . . . . 0.0 110.597 179.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -57.59 -38.15 74.41 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 121.014 0.435 . . . . 0.0 110.055 -179.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -68.08 -54.94 14.54 Favored 'General case' 0 N--CA 1.44 -0.956 0 C-N-CA 123.723 0.809 . . . . 0.0 110.688 -178.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 76.3 mtm -62.88 -33.85 76.17 Favored 'General case' 0 C--O 1.218 -0.562 0 CA-C-O 118.289 -0.862 . . . . 0.0 109.394 178.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 44.8 tttp -61.09 -50.76 71.94 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 106.895 -1.52 . . . . 0.0 106.895 176.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.72 -44.92 60.75 Favored Glycine 0 CA--C 1.531 1.082 0 C-N-CA 124.016 0.817 . . . . 0.0 111.452 178.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -70.86 -47.6 58.38 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 118.359 1.08 . . . . 0.0 109.34 178.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.21 -52.5 15.7 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 126.393 1.877 . . . . 0.0 110.202 -179.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.4 p30 -89.56 3.66 51.8 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.805 0.842 . . . . 0.0 112.728 -179.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 65.12 16.76 62.64 Favored Glycine 0 CA--C 1.532 1.144 0 C-N-CA 124.069 0.843 . . . . 0.0 114.643 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 12.6 t -79.83 -25.22 40.88 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 119.183 1.491 . . . . 0.0 109.938 179.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -118.67 130.91 56.11 Favored 'General case' 0 C--N 1.341 0.212 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 179.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 167.7 -179.07 41.31 Favored Glycine 0 N--CA 1.448 -0.532 0 CA-C-O 122.247 0.915 . . . . 0.0 113.726 176.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.464 ' H ' ' HB2' ' A' ' 54' ' ' LYS . . . -176.31 -169.74 38.13 Favored Glycine 0 N--CA 1.427 -1.938 1 C-N-CA 132.907 5.051 . . . . 0.0 107.706 -177.012 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -58.0 -56.43 22.14 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.969 0.908 . . . . 0.0 112.665 -178.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.414 HH22 ' CGD' ' A' ' 80' ' ' HEM . 16.4 mtp-105 -58.76 -48.0 82.73 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 123.037 1.399 . . . . 0.0 108.1 -179.585 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.464 ' HB2' ' H ' ' A' ' 51' ' ' GLY . 58.4 mttm -59.09 -12.63 5.18 Favored 'General case' 0 N--CA 1.439 -1.007 0 C-N-CA 128.98 2.912 . . . . 0.0 112.721 178.183 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.48 -40.47 66.9 Favored 'General case' 0 C--N 1.339 0.133 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 177.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 21.0 mmt -60.1 -44.9 94.5 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 106.933 -1.506 . . . . 0.0 106.933 177.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 31.3 mmm -56.72 -57.29 13.05 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.637 177.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 87.2 m -46.91 -47.95 21.43 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.719 0.808 . . . . 0.0 109.228 177.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.84 -42.84 99.54 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 118.338 0.517 . . . . 0.0 110.832 179.104 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.1 -36.83 85.54 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.371 0.668 . . . . 0.0 111.498 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 54.7 t -84.35 -31.1 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 C-N-CA 127.162 2.185 . . . . 0.0 114.46 -176.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.4 tptt -51.13 -32.47 22.99 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 119.595 1.089 . . . . 0.0 113.928 -176.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.6 ptpp? -69.94 -14.75 62.86 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -102.11 -176.49 3.13 Favored 'General case' 0 N--CA 1.441 -0.897 0 C-N-CA 125.673 1.589 . . . . 0.0 108.761 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 28.8 t -161.62 172.12 16.84 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 128.617 2.767 . . . . 0.0 105.708 -179.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -36.04 -44.98 0.4 Allowed 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 126.995 2.118 . . . . 0.0 115.031 -176.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -68.32 -44.37 75.54 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 121.765 0.793 . . . . 0.0 111.512 -178.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.6 mp0 -69.71 -41.49 75.3 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 -178.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.4 mp -54.73 -49.81 69.88 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 126.528 1.931 . . . . 0.0 109.44 175.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -58.94 -49.25 78.55 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 178.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.91 -45.32 90.58 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.531 HD21 ' C ' ' A' ' 6' ' ' LEU . 17.8 mt -61.57 -55.38 31.42 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-O 119.239 -0.41 . . . . 0.0 111.931 -179.692 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.93 -43.21 91.13 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-O 118.717 -0.659 . . . . 0.0 109.551 -178.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -53.25 -49.02 67.72 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 178.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -64.92 -70.67 0.22 Allowed 'General case' 0 N--CA 1.45 -0.468 0 O-C-N 123.078 0.236 . . . . 0.0 111.235 178.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.415 ' HA ' HD22 ' A' ' 79' ' ' LEU . 7.5 ttp -46.34 -36.03 5.97 Favored 'General case' 0 C--O 1.224 -0.255 0 C-N-CA 125.517 1.527 . . . . 0.0 113.069 -177.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.1 t -56.99 -37.76 72.09 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.122 -0.987 . . . . 0.0 109.436 178.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -80.74 -46.9 14.74 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 106.503 -1.666 . . . . 0.0 106.503 175.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.506 HD23 ' HA ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.168 0 C-N-CA 130.1 3.36 . . . . 0.0 108.871 -178.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' HEM . . . . . 0.44 HAD1 ' HA ' ' A' ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.639 0 CA-C-O 117.166 -1.397 . . . . 0.0 107.552 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -33.55 94.17 0.01 OUTLIER 'General case' 0 C--O 1.223 -0.319 0 C-N-CA 127.885 2.474 . . . . 0.0 113.89 -178.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -38.87 -47.38 2.41 Favored Glycine 0 C--N 1.34 0.762 0 C-N-CA 126.331 1.919 . . . . 0.0 112.908 -178.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.63 -28.16 20.19 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 -179.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -87.41 -27.52 22.7 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 119.607 1.094 . . . . 0.0 109.592 -179.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.5 mp -75.46 -45.96 35.47 Favored 'General case' 0 N--CA 1.437 -1.115 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.411 ' N ' HD21 ' A' ' 72' ' ' LEU . 1.8 t80 -60.23 -15.2 22.41 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.586 0.958 . . . . 0.0 113.586 -177.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.1 mmtp -53.52 -38.26 63.57 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 121.225 -0.922 . . . . 0.0 110.747 177.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.6 p -67.32 -13.1 61.69 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.3 m -104.55 -38.76 6.64 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 126.995 2.118 . . . . 0.0 110.758 -174.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -44.72 -31.74 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 C-N-CA 125.966 1.706 . . . . 0.0 111.898 179.456 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -58.69 -44.49 95.68 Favored Glycine 0 CA--C 1.535 1.3 0 CA-C-N 118.375 0.534 . . . . 0.0 111.897 177.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.8 t -86.07 -39.14 17.08 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 117.958 0.879 . . . . 0.0 110.407 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.545 ' CE1' HG21 ' A' ' 29' ' ' VAL . 85.1 m-70 -74.64 -22.58 58.83 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 113.95 1.093 . . . . 0.0 113.95 -177.559 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.04 78.68 0.67 Allowed Glycine 0 N--CA 1.451 -0.359 0 O-C-N 121.404 -0.81 . . . . 0.0 113.114 178.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 45.99 -92.83 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.732 1.613 . . . . 0.0 112.381 176.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.5 p-10 -83.14 47.71 1.27 Allowed 'General case' 0 N--CA 1.434 -1.242 0 C-N-CA 127.202 2.201 . . . . 0.0 110.194 -179.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 32.05 40.11 0.07 OUTLIER Glycine 0 CA--C 1.523 0.544 0 C-N-CA 127.937 2.684 . . . . 0.0 115.271 178.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 62.1 m -97.63 -24.25 15.61 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.6 0.76 . . . . 0.0 112.719 -177.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -76.08 128.17 34.45 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 107.401 -1.333 . . . . 0.0 107.401 178.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.46 85.19 0.6 Allowed 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 106.329 -1.73 . . . . 0.0 106.329 178.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -41.76 132.36 2.99 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 126.479 1.912 . . . . 0.0 114.713 -176.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 49.9 tpp 27.83 -65.45 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.408 1 C-N-CA 132.519 4.328 . . . . 0.0 116.965 178.628 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.74 -29.86 69.01 Favored Glycine 0 CA--C 1.521 0.466 0 O-C-N 121.364 -0.835 . . . . 0.0 112.328 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 71.0 m 117.14 56.83 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 131.007 3.723 . . . . 0.0 103.503 -176.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.48 137.91 41.58 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 -176.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.465 ' CD ' ' H ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -58.98 113.62 7.23 Favored Pre-proline 0 N--CA 1.445 -0.683 0 N-CA-C 102.089 -3.3 . . . . 0.0 102.089 173.611 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_exo -26.52 107.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 125.042 3.828 . . . . 0.0 112.921 -176.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.545 HG21 ' CE1' ' A' ' 14' ' ' HIS . 90.4 t -61.12 -33.85 57.81 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 N-CA-C 106.351 -1.722 . . . . 0.0 106.351 -179.149 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -60.45 106.45 0.54 Allowed 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 121.989 0.9 . . . . 0.0 109.735 175.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 114.55 -10.25 21.75 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 113.472 -1.694 . . . . 0.0 111.671 177.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -63.71 144.24 57.19 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 105.954 -1.869 . . . . 0.0 105.954 177.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -42.84 -97.88 0.01 OUTLIER Glycine 0 CA--C 1.539 1.588 0 N-CA-C 118.711 2.244 . . . . 0.0 118.711 -173.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.425 ' HA ' HD12 ' A' ' 37' ' ' LEU . . . 178.86 -59.51 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 128.894 2.878 . . . . 0.0 104.337 179.383 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -57.65 -42.53 83.64 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 106.283 -1.747 . . . . 0.0 106.283 175.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 66.9 tt0 -55.68 -68.05 0.23 Allowed 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 176.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.425 HD12 ' HA ' ' A' ' 34' ' ' ALA . 4.5 mt -46.02 -42.76 13.67 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 124.026 0.93 . . . . 0.0 112.257 -179.063 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -70.91 -45.16 64.75 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 123.601 0.76 . . . . 0.0 111.537 -178.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -64.82 -39.13 93.08 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 -179.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.8 mmmm -67.6 -48.31 67.18 Favored 'General case' 0 N--CA 1.437 -1.093 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 -179.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 50.6 mtm -62.39 -40.45 96.53 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-O 118.156 -0.926 . . . . 0.0 109.923 177.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -58.93 -43.84 91.24 Favored 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 107.748 -1.205 . . . . 0.0 107.748 178.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -54.36 -49.64 59.54 Favored Glycine 0 CA--C 1.532 1.127 0 N-CA-C 110.571 -1.012 . . . . 0.0 110.571 177.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -66.39 -50.91 61.88 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 118.287 1.043 . . . . 0.0 109.652 178.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.71 -53.46 7.28 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 127.747 2.419 . . . . 0.0 110.583 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -87.34 6.77 31.94 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.416 1.086 . . . . 0.0 112.652 -177.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.76 30.65 63.06 Favored Glycine 0 CA--C 1.531 1.044 0 CA-C-N 119.042 0.837 . . . . 0.0 112.575 -179.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.9 t -99.13 -14.12 19.5 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.501 1.12 . . . . 0.0 111.22 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -135.41 129.64 33.61 Favored 'General case' 0 CA--C 1.519 -0.218 0 N-CA-C 106.291 -1.744 . . . . 0.0 106.291 179.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 167.94 -176.93 42.41 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-O 122.288 0.938 . . . . 0.0 113.46 176.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.417 ' H ' ' HB2' ' A' ' 54' ' ' LYS . . . -174.7 -168.35 35.29 Favored Glycine 0 N--CA 1.426 -2.02 1 C-N-CA 132.325 4.774 . . . . 0.0 107.882 -177.116 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -57.57 -58.83 6.6 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 124.269 1.028 . . . . 0.0 112.824 -178.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -61.13 -47.28 86.96 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 122.736 1.255 . . . . 0.0 107.813 -177.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.417 ' HB2' ' H ' ' A' ' 51' ' ' GLY . 60.7 mttp -56.56 -12.73 1.9 Allowed 'General case' 0 N--CA 1.436 -1.128 0 C-N-CA 129.879 3.272 . . . . 0.0 111.798 176.539 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.13 -38.59 60.99 Favored 'General case' 0 C--N 1.342 0.282 0 O-C-N 120.799 -1.188 . . . . 0.0 107.902 177.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 59.8 mtt -60.98 -43.76 98.35 Favored 'General case' 0 C--N 1.341 0.219 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 177.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.3 mmm -55.13 -61.79 2.09 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 114.759 -1.109 . . . . 0.0 109.047 177.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 91.2 m -46.15 -50.07 16.0 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.181 0.992 . . . . 0.0 110.141 177.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -56.87 -40.21 75.76 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 122.968 0.507 . . . . 0.0 111.233 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.24 -58.16 3.81 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 122.102 0.953 . . . . 0.0 108.971 178.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 61.1 t -48.87 -41.98 13.45 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 C-N-CA 127.072 2.149 . . . . 0.0 113.29 -177.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.2 pttp -55.65 -22.94 25.28 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 120.075 1.307 . . . . 0.0 113.202 -179.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 41.4 tttm -65.11 -28.15 69.24 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 118.893 0.769 . . . . 0.0 111.604 178.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -100.15 144.77 28.78 Favored 'General case' 0 N--CA 1.432 -1.35 0 C-N-CA 126.763 2.025 . . . . 0.0 110.357 -175.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 89.3 p -97.63 165.29 12.04 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 127.815 2.446 . . . . 0.0 109.09 179.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -40.92 -50.33 3.25 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.46 1.104 . . . . 0.0 113.278 -179.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -59.43 -51.33 70.35 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 121.378 0.609 . . . . 0.0 110.204 -179.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -60.28 -44.6 95.2 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 123.097 0.559 . . . . 0.0 110.245 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 49.0 mt -58.97 -48.2 82.38 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.778 0.831 . . . . 0.0 109.641 178.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 46.6 tptt -61.94 -40.62 96.15 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.04 -42.8 89.08 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 72' ' ' LEU . 12.1 mt -57.93 -58.91 6.32 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 177.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -50.7 -49.67 56.9 Favored 'General case' 0 CA--C 1.531 0.229 0 O-C-N 123.405 0.441 . . . . 0.0 110.41 -178.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -51.96 -44.23 63.88 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 176.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -66.16 -54.73 21.87 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 118.402 -0.809 . . . . 0.0 109.193 177.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.6 mpp? -51.65 -27.38 11.32 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 120.243 1.383 . . . . 0.0 112.831 177.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.6 t -56.58 -28.42 60.22 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 120.462 -1.399 . . . . 0.0 110.078 176.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 41.4 mttp -107.04 40.62 1.62 Allowed 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 127.559 2.344 . . . . 0.0 109.348 179.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.0 tp . . . . . 0 C--O 1.25 1.108 0 C-N-CA 125.4 1.48 . . . . 0.0 109.905 179.215 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' HEM . . . . . 0.592 HMC2 HBC2 ' A' ' 80' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.758 0 CA-C-O 116.731 -1.604 . . . . 0.0 107.213 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -32.5 95.66 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 127.15 2.18 . . . . 0.0 113.369 -178.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -49.42 -46.29 36.43 Favored Glycine 0 CA--C 1.525 0.685 0 C-N-CA 123.991 0.805 . . . . 0.0 111.557 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.6 -35.2 40.54 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.069 0.948 . . . . 0.0 112.123 179.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.93 -19.02 35.41 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 118.847 -0.596 . . . . 0.0 111.059 -177.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.461 ' CB ' HD13 ' A' ' 72' ' ' LEU . 12.7 mt -90.78 -27.88 18.6 Favored 'General case' 0 N--CA 1.434 -1.24 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 -178.529 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.414 ' CE1' ' SD ' ' A' ' 76' ' ' MET . 0.8 OUTLIER -73.52 -13.96 61.13 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 114.241 1.2 . . . . 0.0 114.241 178.916 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -52.11 -45.49 64.92 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 120.996 -1.065 . . . . 0.0 112.796 -178.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 p -64.18 -19.63 65.46 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.087 0.955 . . . . 0.0 112.533 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.7 m -91.7 -40.87 11.02 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 126.635 1.974 . . . . 0.0 109.42 -176.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -46.38 -32.55 1.65 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 C-N-CA 125.508 1.523 . . . . 0.0 110.909 179.642 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -51.06 -45.19 51.39 Favored Glycine 0 CA--C 1.534 1.251 0 N-CA-C 111.89 -0.484 . . . . 0.0 111.89 177.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 13.7 m -91.3 -42.34 10.43 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 117.846 0.823 . . . . 0.0 110.182 179.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 61.4 m-70 -70.77 -15.45 62.67 Favored 'General case' 0 N--CA 1.432 -1.374 0 C-N-CA 126.369 1.867 . . . . 0.0 115.347 -175.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 65.18 107.64 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 N-CA-C 116.933 1.533 . . . . 0.0 116.933 175.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 56.76 -67.29 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 128.486 2.714 . . . . 0.0 114.28 176.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -151.58 75.82 1.18 Allowed 'General case' 0 N--CA 1.433 -1.324 0 C-N-CA 127.488 2.315 . . . . 0.0 106.749 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 42.33 30.34 0.8 Allowed Glycine 0 C--N 1.337 0.611 0 C-N-CA 126.315 1.912 . . . . 0.0 115.981 178.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 93.9 p -86.33 -35.32 19.92 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.654 0.782 . . . . 0.0 112.755 -177.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 47.6 tttm -79.11 137.34 37.45 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 121.612 0.72 . . . . 0.0 110.059 -178.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.45 85.24 1.12 Allowed 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 106.621 -1.622 . . . . 0.0 106.621 177.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -42.28 134.37 2.91 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 115.261 1.578 . . . . 0.0 115.261 -176.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 10.6 tpt 24.55 -80.89 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 131.042 3.737 . . . . 0.0 115.323 178.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.04 -35.06 53.35 Favored Glycine 0 CA--C 1.528 0.845 0 CA-C-O 119.866 -0.408 . . . . 0.0 112.161 -179.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 74.2 m 122.3 57.45 0.0 OUTLIER 'General case' 0 CA--C 1.527 0.066 0 C-N-CA 131.611 3.964 . . . . 0.0 106.095 -179.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.97 140.68 48.03 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 113.931 1.085 . . . . 0.0 113.931 -177.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.5 pttp -64.0 113.63 10.85 Favored Pre-proline 0 CA--C 1.541 0.603 0 N-CA-C 101.069 -3.678 . . . . 0.0 101.069 170.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_exo -30.84 122.05 0.07 OUTLIER 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 124.49 3.46 . . . . 0.0 113.054 -174.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.4 m -62.33 -28.46 44.65 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 N-CA-C 106.337 -1.727 . . . . 0.0 106.337 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.434 ' HA ' ' HB3' ' A' ' 79' ' ' LEU . 34.4 tttp -57.76 108.64 0.59 Allowed 'General case' 0 N--CA 1.446 -0.657 0 CA-C-O 121.526 0.679 . . . . 0.0 109.899 172.559 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 118.58 -24.87 8.34 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 114.096 -1.411 . . . . 0.0 109.787 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -67.27 144.63 55.82 Favored 'General case' 0 N--CA 1.439 -1.023 0 N-CA-C 106.523 -1.658 . . . . 0.0 106.523 177.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -85.69 151.38 25.16 Favored Glycine 0 N--CA 1.469 0.865 0 CA-C-O 119.178 -0.79 . . . . 0.0 113.375 -176.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -46.26 -52.03 13.34 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-N 119.385 1.593 . . . . 0.0 111.44 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -55.67 -47.11 77.27 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -57.42 -61.53 2.42 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 124.567 1.147 . . . . 0.0 109.144 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.6 mt -53.5 -42.21 67.08 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 124.884 1.274 . . . . 0.0 111.59 -179.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -70.42 -43.52 69.77 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 124.26 1.024 . . . . 0.0 110.627 -178.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 66.5 tttm -64.68 -41.7 95.87 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 -179.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -69.89 -45.54 67.4 Favored 'General case' 0 N--CA 1.439 -1.007 0 C-N-CA 122.943 0.497 . . . . 0.0 110.34 -178.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 53.9 mtm -63.84 -42.58 97.57 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-O 118.021 -0.99 . . . . 0.0 109.579 178.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -56.97 -47.55 80.47 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 106.46 -1.681 . . . . 0.0 106.46 176.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -51.3 -41.83 48.47 Favored Glycine 0 CA--C 1.531 1.036 0 C-N-CA 124.045 0.831 . . . . 0.0 111.433 177.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -77.79 -38.93 45.58 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 119.494 1.647 . . . . 0.0 110.297 177.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.92 -49.63 62.7 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.241 1.416 . . . . 0.0 108.224 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -83.73 -29.12 27.76 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.76 0.824 . . . . 0.0 110.991 178.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.09 18.56 28.8 Favored Glycine 0 CA--C 1.531 1.071 0 C-N-CA 124.632 1.11 . . . . 0.0 114.001 177.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 21.9 t -90.61 -18.19 25.59 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 118.317 1.059 . . . . 0.0 112.084 179.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -102.54 158.17 16.41 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 119.622 1.101 . . . . 0.0 109.652 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -130.08 -173.12 13.3 Favored Glycine 0 C--N 1.339 0.702 0 C-N-CA 123.866 0.746 . . . . 0.0 113.922 -178.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 160.57 174.6 30.59 Favored Glycine 0 N--CA 1.427 -1.928 0 C-N-CA 128.41 2.91 . . . . 0.0 108.656 -177.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 -47.27 -45.52 24.0 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 126.902 2.081 . . . . 0.0 111.71 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 83.3 mmt-85 -124.14 39.15 4.04 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 123.632 0.773 . . . . 0.0 110.255 -178.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -49.98 -37.8 34.03 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.632 0.773 . . . . 0.0 112.793 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.77 -53.58 48.67 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 123.167 0.587 . . . . 0.0 109.824 -179.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.615 ' HG2' HBC2 ' A' ' 80' ' ' HEM . 15.2 tpt -56.76 -45.75 81.87 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.12 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 18.3 mmm -56.98 -51.68 68.25 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 124.091 0.956 . . . . 0.0 110.657 179.018 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 75.1 m -55.38 -49.41 72.38 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 178.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -56.61 -34.66 67.44 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 122.554 0.341 . . . . 0.0 110.364 177.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.45 -45.79 61.69 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 122.996 0.518 . . . . 0.0 111.573 -179.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.5 m -92.07 -16.22 7.97 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-O 117.714 -1.136 . . . . 0.0 113.934 -175.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -50.8 -33.31 22.91 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 121.035 1.743 . . . . 0.0 113.154 -176.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.4 pttp -74.94 -2.63 27.94 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.416 0.687 . . . . 0.0 112.762 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 19.2 m-30 -112.6 139.81 47.88 Favored 'General case' 0 N--CA 1.438 -1.064 0 C-N-CA 125.896 1.678 . . . . 0.0 107.097 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 80.3 p -100.58 166.37 10.94 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 127.405 2.282 . . . . 0.0 109.696 -179.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -39.27 -49.13 1.91 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.69 1.196 . . . . 0.0 114.072 -178.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -61.0 -49.66 76.54 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 121.473 0.654 . . . . 0.0 110.317 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -59.68 -51.89 67.87 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 55.5 mt -54.53 -51.09 66.26 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 124.952 1.301 . . . . 0.0 111.382 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.8 ttpm? -56.13 -47.63 77.78 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.66 -41.04 92.99 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.431 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.473 HD21 HMB3 ' A' ' 80' ' ' HEM . 12.9 tp -58.4 -48.33 80.98 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 123.753 0.821 . . . . 0.0 109.278 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.04 -45.24 89.74 Favored 'General case' 0 CA--C 1.518 -0.267 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 179.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -52.84 -48.2 67.18 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 178.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -59.56 -56.81 17.22 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 178.079 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.414 ' SD ' ' CE1' ' A' ' 7' ' ' TYR . 41.6 mtm -51.08 -39.9 57.13 Favored 'General case' 0 C--O 1.222 -0.384 0 C-N-CA 120.416 -0.513 . . . . 0.0 111.611 179.334 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.8 t -61.23 -9.38 4.85 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 117.91 -1.043 . . . . 0.0 113.18 -179.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 24.1 ttpp -78.23 -23.49 47.39 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 119.642 1.11 . . . . 0.0 108.675 175.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.434 ' HB3' ' HA ' ' A' ' 30' ' ' LYS . 1.7 mp . . . . . 0 C--O 1.251 1.164 0 CA-C-O 116.956 -1.497 . . . . 0.0 110.381 178.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' HEM . . . . . 0.615 HBC2 ' HG2' ' A' ' 56' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.947 0 N-CA-C 106.208 -1.775 . . . . 0.0 106.208 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -171.27 153.42 3.63 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 105.984 -1.858 . . . . 0.0 105.984 -171.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 78.31 83.02 0.61 Allowed Glycine 0 N--CA 1.442 -0.929 1 N-CA-C 101.178 -4.769 . . . . 0.0 101.178 -174.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 106.84 -35.17 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 129.645 3.178 . . . . 0.0 106.421 -172.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -86.8 -9.84 54.91 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 118.755 -1.178 . . . . 0.0 111.213 -178.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 21.2 mt -92.48 -35.8 13.43 Favored 'General case' 0 N--CA 1.441 -0.908 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 177.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.544 ' CD1' HD22 ' A' ' 72' ' ' LEU . 0.7 OUTLIER -73.62 -8.55 56.42 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 116.788 2.144 . . . . 0.0 116.788 -177.404 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.49 -41.27 9.4 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 119.789 1.177 . . . . 0.0 113.348 -178.091 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.43 -43.36 81.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 122.229 1.014 . . . . 0.0 112.294 179.394 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 7.0 m -63.66 -36.08 82.65 Favored 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 127.115 2.166 . . . . 0.0 108.879 -176.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -51.37 -26.77 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.812 0 CA-C-N 114.051 -1.432 . . . . 0.0 110.277 177.125 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -55.0 -43.35 82.92 Favored Glycine 0 CA--C 1.532 1.121 0 CA-C-N 118.65 0.659 . . . . 0.0 111.82 177.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.6 m -93.97 -42.27 9.14 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 117.977 0.889 . . . . 0.0 109.976 179.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.408 ' HB3' ' HA2' ' A' ' 18' ' ' GLY . 93.7 m-70 -71.49 -22.34 61.81 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 113.909 1.078 . . . . 0.0 113.909 -176.256 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.26 100.56 0.25 Allowed Glycine 0 CA--C 1.526 0.725 0 N-CA-C 116.04 1.176 . . . . 0.0 116.04 175.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 39.41 -77.06 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 128.767 2.827 . . . . 0.0 115.382 176.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -95.98 23.29 6.53 Favored 'General case' 0 N--CA 1.441 -0.884 0 C-N-CA 126.851 2.06 . . . . 0.0 110.615 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.408 ' HA2' ' HB3' ' A' ' 14' ' ' HIS . . . 52.76 40.28 56.31 Favored Glycine 0 CA--C 1.53 1.0 0 C-N-CA 125.578 1.561 . . . . 0.0 112.888 179.629 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.1 p -96.4 -27.09 15.09 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.805 1.242 . . . . 0.0 113.479 -177.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -75.2 138.04 41.69 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 121.836 0.826 . . . . 0.0 110.775 -176.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.09 82.33 0.97 Allowed 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 106.992 -1.484 . . . . 0.0 106.992 178.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -36.3 124.96 0.79 Allowed 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 125.773 1.629 . . . . 0.0 114.743 -176.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 26.5 mmt 22.63 -75.16 0.0 OUTLIER 'General case' 0 C--N 1.343 0.29 1 C-N-CA 132.014 4.125 . . . . 0.0 115.634 177.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -52.63 -29.72 33.17 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.632 -0.587 . . . . 0.0 111.632 179.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 25.8 m 111.6 62.72 0.0 OUTLIER 'General case' 0 C--O 1.232 0.139 1 C-N-CA 131.747 4.019 . . . . 0.0 106.006 -179.592 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.79 151.37 47.61 Favored 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 114.949 1.462 . . . . 0.0 114.949 -178.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.2 pttm -68.13 116.04 34.97 Favored Pre-proline 0 N--CA 1.447 -0.579 0 N-CA-C 102.371 -3.196 . . . . 0.0 102.371 170.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_exo -38.28 121.67 0.52 Allowed 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 123.514 2.809 . . . . 0.0 112.583 -177.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.4 m -65.47 -25.96 38.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 C-N-CA 119.185 -1.006 . . . . 0.0 108.328 -179.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.586 ' HA ' HD23 ' A' ' 79' ' ' LEU . 54.3 tttp -58.23 102.25 0.1 Allowed 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 122.08 0.943 . . . . 0.0 110.713 174.528 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 113.62 -10.48 23.66 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 113.413 -1.721 . . . . 0.0 112.113 178.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -65.53 147.34 53.57 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 106.908 -1.515 . . . . 0.0 106.908 178.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -79.27 143.01 25.67 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 120.966 -1.084 . . . . 0.0 114.54 -175.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.17 -48.66 34.35 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 119.532 1.666 . . . . 0.0 112.179 -179.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -59.71 -42.87 94.01 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 120.949 0.404 . . . . 0.0 109.922 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -61.41 -61.26 2.67 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 124.487 1.115 . . . . 0.0 108.448 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 38.2 mt -48.63 -48.32 39.54 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 127.001 2.12 . . . . 0.0 110.249 179.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -66.6 -52.42 45.48 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 123.011 0.525 . . . . 0.0 111.78 -179.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.2 ttpm? -58.0 -39.62 78.72 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 121.512 0.672 . . . . 0.0 109.759 -178.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -70.42 -50.47 38.09 Favored 'General case' 0 N--CA 1.438 -1.075 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.608 -178.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 59.8 mtm -62.19 -33.96 75.55 Favored 'General case' 0 C--O 1.22 -0.484 0 CA-C-O 118.586 -0.721 . . . . 0.0 109.931 178.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.7 tptt -63.53 -46.37 86.33 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 106.668 -1.604 . . . . 0.0 106.668 177.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -54.33 -52.96 40.89 Favored Glycine 0 CA--C 1.528 0.865 0 N-CA-C 110.431 -1.068 . . . . 0.0 110.431 176.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.0 m-30 -60.63 -44.59 96.18 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.254 1.027 . . . . 0.0 110.162 178.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.52 -45.27 66.19 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.196 0.998 . . . . 0.0 108.641 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -87.17 1.03 54.33 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.216 1.006 . . . . 0.0 112.719 -178.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.6 31.16 66.57 Favored Glycine 0 CA--C 1.534 1.27 0 CA-C-N 119.263 0.938 . . . . 0.0 111.698 -177.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.0 t -112.07 26.67 10.36 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.737 1.615 . . . . 0.0 111.613 -178.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -161.59 134.83 6.33 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 104.718 -2.327 . . . . 0.0 104.718 179.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 161.06 -176.33 37.65 Favored Glycine 0 C--N 1.336 0.533 0 CA-C-O 122.74 1.189 . . . . 0.0 115.365 177.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.452 ' H ' ' HB2' ' A' ' 54' ' ' LYS . . . -177.96 -171.79 41.73 Favored Glycine 0 N--CA 1.426 -1.992 1 C-N-CA 135.291 6.186 . . . . 0.0 105.9 -177.093 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -54.15 -60.4 3.38 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 123.769 0.827 . . . . 0.0 112.161 -178.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.417 HH11 ' CGD' ' A' ' 80' ' ' HEM . 1.1 ptp180 -55.49 -42.32 74.23 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.847 0.832 . . . . 0.0 110.326 -178.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.452 ' HB2' ' H ' ' A' ' 51' ' ' GLY . 65.3 mttm -71.81 -7.76 50.22 Favored 'General case' 0 N--CA 1.434 -1.259 0 C-N-CA 128.075 2.55 . . . . 0.0 113.615 -179.374 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.78 -49.47 38.6 Favored 'General case' 0 C--O 1.232 0.146 0 O-C-N 121.249 -0.907 . . . . 0.0 109.298 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 72.0 mtm -55.1 -49.83 70.73 Favored 'General case' 0 CA--C 1.529 0.139 0 N-CA-C 107.105 -1.443 . . . . 0.0 107.105 177.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.423 ' HB2' ' HA ' ' A' ' 54' ' ' LYS . 25.2 mmm -51.58 -54.67 25.19 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 125.562 1.545 . . . . 0.0 110.7 177.548 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 30.2 m -50.62 -53.58 29.65 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 123.266 0.626 . . . . 0.0 109.599 178.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.96 -34.72 73.64 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.691 -0.231 . . . . 0.0 110.636 179.445 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.13 -52.11 21.17 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 113.783 1.031 . . . . 0.0 113.783 -178.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.2 m -76.53 -27.58 17.29 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 C-N-CA 119.181 -1.008 . . . . 0.0 113.004 -172.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.79 -12.41 4.31 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 114.171 1.175 . . . . 0.0 114.171 -176.325 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.5 pttp -71.35 -21.18 62.07 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 119.298 0.954 . . . . 0.0 109.934 176.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -85.75 -167.51 1.88 Allowed 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 125.393 1.477 . . . . 0.0 108.288 177.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.2 m -159.27 158.08 31.82 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 127.366 2.266 . . . . 0.0 106.889 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -29.65 -48.25 0.08 Allowed 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 126.854 2.062 . . . . 0.0 115.58 -176.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -64.24 -51.35 64.07 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 119.161 0.891 . . . . 0.0 110.481 -179.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 28.2 mp0 -63.09 -42.33 99.59 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 179.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.4 mt -60.85 -43.04 98.85 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 178.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.8 ttpm? -63.02 -45.17 93.58 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 178.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.45 -46.94 85.56 Favored 'General case' 0 CA--C 1.529 0.155 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 178.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.544 HD22 ' CD1' ' A' ' 7' ' ' TYR . 12.5 mt -59.0 -52.62 64.98 Favored 'General case' 0 N--CA 1.447 -0.594 0 O-C-N 121.981 -0.449 . . . . 0.0 110.825 178.55 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.54 -40.62 87.81 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 -178.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -57.27 -48.66 78.31 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 177.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -57.94 -59.38 5.34 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 178.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.453 ' SD ' HMA3 ' A' ' 80' ' ' HEM . 67.3 mtm -54.72 -33.96 61.78 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 179.312 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.7 t -77.5 -4.17 44.22 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 121.17 -0.956 . . . . 0.0 111.901 178.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -128.05 28.45 5.54 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.557 1.943 . . . . 0.0 107.112 179.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.586 HD23 ' HA ' ' A' ' 30' ' ' LYS . 12.0 tp . . . . . 0 C--O 1.25 1.117 0 C-N-CA 126.47 1.908 . . . . 0.0 111.441 -178.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' HEM . . . . . 0.453 HMA3 ' SD ' ' A' ' 76' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.756 0 CA-C-O 117.595 -1.193 . . . . 0.0 107.827 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -54.52 130.63 40.51 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 124.55 1.14 . . . . 0.0 111.672 -178.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -53.79 -60.26 8.59 Favored Glycine 0 C--N 1.337 0.622 0 N-CA-C 110.759 -0.936 . . . . 0.0 110.759 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -47.91 -43.49 28.88 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 117.18 0.49 . . . . 0.0 111.518 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.33 -42.49 98.98 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 119.401 -0.333 . . . . 0.0 111.447 -179.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 38.9 mt -69.45 -43.07 74.02 Favored 'General case' 0 N--CA 1.438 -1.047 0 CA-C-N 118.906 0.775 . . . . 0.0 108.919 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.411 ' N ' HD21 ' A' ' 72' ' ' LEU . 1.8 t80 -64.62 -15.23 60.86 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 114.505 1.298 . . . . 0.0 114.505 -178.332 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -47.08 -42.45 18.84 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 119.823 1.192 . . . . 0.0 109.991 177.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -66.55 7.43 0.34 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 127.542 2.337 . . . . 0.0 114.036 179.429 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.0 m -131.88 -35.17 1.26 Allowed 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 126.368 1.867 . . . . 0.0 110.615 -173.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.5 mm -43.05 -35.85 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 C-N-CA 125.605 1.562 . . . . 0.0 110.478 177.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -51.95 -44.35 55.99 Favored Glycine 0 CA--C 1.536 1.369 0 CA-C-N 118.335 0.516 . . . . 0.0 112.669 178.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.2 m -89.37 -44.61 10.07 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 118.097 0.948 . . . . 0.0 111.164 -179.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 52.8 m-70 -78.65 -34.58 46.28 Favored 'General case' 0 N--CA 1.435 -1.212 0 N-CA-C 116.924 2.194 . . . . 0.0 116.924 -174.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 97.79 155.05 29.75 Favored Glycine 0 CA--C 1.531 1.053 0 N-CA-C 107.225 -2.35 . . . . 0.0 107.225 -175.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.83 -43.39 59.09 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 118.658 1.229 . . . . 0.0 110.977 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 57.7 p30 -88.38 8.38 27.97 Favored 'General case' 0 N--CA 1.436 -1.139 0 C-N-CA 129.29 3.036 . . . . 0.0 112.719 -179.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.519 ' HA3' HD21 ' A' ' 79' ' ' LEU . . . 43.33 31.07 1.39 Allowed Glycine 0 CA--C 1.527 0.819 0 C-N-CA 126.044 1.783 . . . . 0.0 113.495 -177.476 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.1 m -94.35 -18.28 21.75 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 123.332 0.653 . . . . 0.0 111.075 -178.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -70.45 123.2 21.2 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 178.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.53 85.34 0.62 Allowed 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 106.218 -1.771 . . . . 0.0 106.218 177.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.13 141.75 7.78 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 115.458 1.651 . . . . 0.0 115.458 -175.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 15.2 tpt 31.13 -84.81 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 130.249 3.42 . . . . 0.0 114.672 178.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.32 -33.16 64.96 Favored Glycine 0 CA--C 1.525 0.672 0 C-N-CA 123.322 0.487 . . . . 0.0 112.882 -178.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 67.8 m 119.9 60.36 0.0 OUTLIER 'General case' 0 N--CA 1.457 -0.098 0 C-N-CA 131.367 3.867 . . . . 0.0 104.086 -177.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.39 143.4 19.14 Favored 'General case' 0 N--CA 1.439 -1.022 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 -176.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -60.55 113.2 6.95 Favored Pre-proline 0 N--CA 1.448 -0.561 0 N-CA-C 101.433 -3.543 . . . . 0.0 101.433 172.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -34.95 121.06 0.16 Allowed 'Trans proline' 0 N--CA 1.454 -0.816 0 C-N-CA 123.419 2.746 . . . . 0.0 111.818 -175.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.0 t -61.7 -40.94 88.54 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 N-CA-C 105.032 -2.21 . . . . 0.0 105.032 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -49.42 115.79 1.48 Allowed 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 124.516 1.126 . . . . 0.0 109.058 173.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 105.74 -15.41 45.03 Favored Glycine 0 N--CA 1.443 -0.866 0 C-N-CA 124.83 1.205 . . . . 0.0 111.086 177.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -69.92 143.42 52.73 Favored 'General case' 0 N--CA 1.435 -1.224 0 CA-C-N 118.734 1.267 . . . . 0.0 108.026 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -86.2 148.42 22.23 Favored Glycine 0 N--CA 1.471 1.008 0 O-C-N 121.262 -0.899 . . . . 0.0 113.595 -176.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -46.92 -48.41 21.34 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 119.697 1.749 . . . . 0.0 112.211 -178.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -59.29 -47.74 84.26 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -56.91 -60.54 3.43 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 125.2 1.4 . . . . 0.0 109.157 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 35.0 mt -50.8 -49.3 58.8 Favored 'General case' 0 N--CA 1.441 -0.898 0 C-N-CA 126.789 2.036 . . . . 0.0 109.83 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -65.74 -48.25 72.55 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 119.042 -0.504 . . . . 0.0 110.95 -178.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -60.88 -40.2 92.11 Favored 'General case' 0 N--CA 1.426 -1.64 0 CA-C-N 119.492 1.042 . . . . 0.0 110.486 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -70.66 -48.31 55.5 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-O 121.144 0.497 . . . . 0.0 110.922 -178.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -64.71 -38.04 89.64 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -65.4 -41.84 93.24 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 106.701 -1.592 . . . . 0.0 106.701 176.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.17 -49.34 50.46 Favored Glycine 0 CA--C 1.529 0.926 0 N-CA-C 108.842 -1.703 . . . . 0.0 108.842 176.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -66.61 -47.12 73.66 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 118.328 1.064 . . . . 0.0 109.883 178.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -48.62 -46.91 40.35 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.557 1.143 . . . . 0.0 110.693 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -93.1 8.1 41.45 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.784 1.234 . . . . 0.0 112.661 -178.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 52.16 36.32 44.06 Favored Glycine 0 CA--C 1.533 1.195 0 C-N-CA 124.126 0.87 . . . . 0.0 113.22 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.4 t -111.43 18.8 18.83 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.472 1.509 . . . . 0.0 112.005 -178.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -160.83 139.08 9.8 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 105.611 -1.996 . . . . 0.0 105.611 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 161.49 -173.36 37.88 Favored Glycine 0 N--CA 1.447 -0.597 0 CA-C-O 122.688 1.16 . . . . 0.0 114.318 177.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.531 ' H ' ' HB2' ' A' ' 54' ' ' LYS . . . -170.39 -174.32 38.36 Favored Glycine 0 N--CA 1.423 -2.207 1 C-N-CA 134.695 5.902 . . . . 0.0 105.674 -178.515 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -48.64 -60.09 3.0 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 124.237 1.015 . . . . 0.0 111.606 -178.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.65 -41.6 95.28 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-O 120.808 0.337 . . . . 0.0 111.235 -177.187 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.531 ' HB2' ' H ' ' A' ' 51' ' ' GLY . 0.5 OUTLIER -58.41 -15.29 10.13 Favored 'General case' 0 N--CA 1.444 -0.743 0 N-CA-C 113.253 0.835 . . . . 0.0 113.253 -179.146 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.4 -41.53 98.74 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 121.009 -1.057 . . . . 0.0 108.226 175.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 85.2 mtp -61.98 -45.93 91.48 Favored 'General case' 0 C--N 1.34 0.187 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 178.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.436 ' HE1' ' C1B' ' A' ' 80' ' ' HEM . 28.4 mmm -55.13 -53.23 58.56 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.153 178.142 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 89.3 m -51.04 -52.38 43.75 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 178.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -57.4 -34.34 68.78 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.027 178.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.29 -47.64 48.47 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.3 m -86.57 -21.72 7.33 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 -173.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 25.8 pttm -47.39 -29.84 2.89 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 120.016 1.28 . . . . 0.0 114.416 -176.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.7 pttm -68.76 -18.01 64.14 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -179.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -83.48 -168.52 2.14 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-O 123.789 1.756 . . . . 0.0 110.8 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 58.7 m -153.16 163.57 39.64 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 128.566 2.747 . . . . 0.0 107.897 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -36.04 -50.28 0.69 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.88 1.672 . . . . 0.0 113.767 -178.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.78 -53.87 52.08 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -178.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -56.62 -46.5 80.9 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.705 0.802 . . . . 0.0 109.464 179.085 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.8 mt -58.97 -48.76 80.38 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 118.063 0.392 . . . . 0.0 110.217 179.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.1 tmmm? -57.3 -46.86 82.76 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 179.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.96 -45.76 90.91 Favored 'General case' 0 N--CA 1.454 -0.242 0 O-C-N 122.044 -0.41 . . . . 0.0 110.541 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.411 HD21 ' N ' ' A' ' 7' ' ' TYR . 14.8 mt -58.42 -49.74 76.2 Favored 'General case' 0 N--CA 1.448 -0.543 0 O-C-N 121.828 -0.545 . . . . 0.0 109.858 179.002 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.48 -36.87 83.86 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -58.79 -48.88 79.72 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 177.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -58.7 -60.78 3.28 Favored 'General case' 0 C--N 1.342 0.275 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 177.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 74.7 mtm -52.73 -30.81 34.53 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 178.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.8 t -70.1 -17.95 63.23 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 120.017 -1.677 . . . . 0.0 111.908 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -96.75 15.93 20.54 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 176.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.519 HD21 ' HA3' ' A' ' 18' ' ' GLY . 4.4 tp . . . . . 0 C--O 1.249 1.067 0 C-N-CA 126.076 1.751 . . . . 0.0 107.373 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' HEM . . . . . 0.436 ' C1B' ' HE1' ' A' ' 57' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.537 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -59.67 96.74 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.56 1.144 . . . . 0.0 112.066 -178.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -47.62 -47.7 23.45 Favored Glycine 0 CA--C 1.527 0.841 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 178.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.37 -29.64 58.81 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.92 -46.65 13.76 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 179.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 85.0 mt -56.36 -46.09 80.18 Favored 'General case' 0 N--CA 1.439 -0.999 0 CA-C-O 119.12 -0.467 . . . . 0.0 110.006 -178.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.462 ' CE1' ' SD ' ' A' ' 76' ' ' MET . 2.1 t80 -63.66 -14.3 50.74 Favored 'General case' 0 C--N 1.345 0.392 0 N-CA-C 114.659 1.355 . . . . 0.0 114.659 -177.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -60.35 -24.55 65.15 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 120.98 -1.075 . . . . 0.0 110.086 177.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.08 -3.26 25.23 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.814 0.846 . . . . 0.0 112.293 177.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.2 m -119.52 -34.05 3.9 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 127.323 2.249 . . . . 0.0 111.742 -174.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.1 mp -43.2 -31.39 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 C-N-CA 126.051 1.74 . . . . 0.0 110.714 177.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -50.77 -46.0 48.46 Favored Glycine 0 CA--C 1.537 1.42 0 O-C-N 121.655 -0.653 . . . . 0.0 112.475 177.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.5 m -91.74 -45.7 8.29 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 118.265 1.032 . . . . 0.0 110.675 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.429 ' CE1' HG21 ' A' ' 29' ' ' VAL . 94.8 m-70 -75.18 -17.58 60.35 Favored 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 -175.384 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.9 157.16 31.41 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 109.887 -1.285 . . . . 0.0 109.887 -178.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -36.63 -59.92 0.63 Allowed 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.96 1.704 . . . . 0.0 112.997 -178.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -100.08 32.93 2.77 Favored 'General case' 0 N--CA 1.443 -0.825 0 C-N-CA 126.104 1.761 . . . . 0.0 111.747 -179.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 45.61 35.18 5.5 Favored Glycine 0 CA--C 1.53 1.015 0 C-N-CA 125.416 1.484 . . . . 0.0 114.715 178.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.3 p -86.65 -29.44 22.51 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 125.797 1.639 . . . . 0.0 113.145 -177.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -71.36 136.78 47.96 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 121.492 0.663 . . . . 0.0 110.717 -177.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.97 77.58 2.85 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 104.92 -2.252 . . . . 0.0 104.92 175.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -32.22 121.72 0.31 Allowed 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 126.194 1.798 . . . . 0.0 115.071 -175.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 26.5 mmt 22.89 -69.81 0.0 OUTLIER 'General case' 0 C--N 1.344 0.349 1 C-N-CA 132.307 4.243 . . . . 0.0 115.297 178.084 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.16 -24.89 37.64 Favored Glycine 0 CA--C 1.527 0.823 0 C-N-CA 124.017 0.818 . . . . 0.0 112.405 178.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.5 m 107.21 53.53 0.0 OUTLIER 'General case' 0 C--N 1.335 -0.054 0 C-N-CA 130.883 3.673 . . . . 0.0 106.118 -179.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.44 153.15 27.88 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 115.621 1.712 . . . . 0.0 115.621 -176.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -64.42 133.87 95.81 Favored Pre-proline 0 N--CA 1.449 -0.515 0 N-CA-C 102.533 -3.136 . . . . 0.0 102.533 172.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -49.02 113.74 1.02 Allowed 'Trans proline' 0 N--CA 1.456 -0.685 0 C-N-CA 122.531 2.154 . . . . 0.0 110.924 -176.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.429 HG21 ' CE1' ' A' ' 14' ' ' HIS . 37.1 t -62.88 -31.98 54.32 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 CA-C-O 118.968 -0.539 . . . . 0.0 109.925 -177.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.444 ' HA ' HD23 ' A' ' 79' ' ' LEU . 60.3 tttm -46.46 86.51 0.0 OUTLIER 'General case' 0 CA--C 1.522 -0.13 0 N-CA-C 115.77 1.767 . . . . 0.0 115.77 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 80.52 24.97 57.81 Favored Glycine 0 N--CA 1.436 -1.356 0 CA-C-N 111.467 -2.606 . . . . 0.0 112.577 175.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . 0.292 20.8 pt20 -75.53 96.95 3.6 Favored 'General case' 0 N--CA 1.44 -0.937 0 CA-C-N 119.672 1.736 . . . . 0.0 109.336 179.419 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 53.52 -145.33 23.66 Favored Glycine 0 CA--C 1.545 1.949 0 C-N-CA 126.319 1.914 . . . . 0.0 111.129 -174.104 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -156.69 -61.63 0.1 Allowed 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 129.989 3.316 . . . . 0.0 102.255 176.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.3 tm-20 -57.59 -37.02 72.51 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 106.877 -1.527 . . . . 0.0 106.877 174.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -59.89 -65.02 0.74 Allowed 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 178.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.26 -38.43 58.17 Favored 'General case' 0 N--CA 1.451 -0.379 0 O-C-N 121.927 -0.483 . . . . 0.0 112.077 -179.319 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -66.1 -45.31 81.66 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 118.105 0.411 . . . . 0.0 111.209 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.7 ttmt -61.28 -44.9 96.47 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 -179.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 24.7 mmtp -66.48 -48.94 68.26 Favored 'General case' 0 N--CA 1.435 -1.188 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.99 -178.092 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 60.8 mtm -62.5 -39.46 93.58 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-O 118.143 -0.932 . . . . 0.0 109.866 178.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -58.68 -45.03 90.34 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 107.289 -1.375 . . . . 0.0 107.289 177.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -54.08 -54.32 32.2 Favored Glycine 0 CA--C 1.534 1.236 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 177.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -61.86 -52.55 63.67 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 118.252 1.026 . . . . 0.0 109.918 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -45.74 -53.46 9.43 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 127.222 2.209 . . . . 0.0 110.797 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -84.22 5.77 25.25 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.108 0.963 . . . . 0.0 112.48 -178.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 56.98 32.27 62.34 Favored Glycine 0 CA--C 1.531 1.073 0 CA-C-N 119.097 0.862 . . . . 0.0 112.024 -179.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.2 t -108.08 10.91 28.04 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.889 1.275 . . . . 0.0 111.357 -179.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -162.11 134.07 5.53 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 -179.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 165.26 -175.08 41.14 Favored Glycine 0 N--CA 1.445 -0.756 0 CA-C-O 122.14 0.855 . . . . 0.0 112.233 177.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.433 ' N ' ' HB2' ' A' ' 54' ' ' LYS . . . -176.98 -168.86 37.5 Favored Glycine 0 N--CA 1.422 -2.253 1 C-N-CA 131.555 4.407 . . . . 0.0 108.943 -176.555 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.88 -60.24 3.52 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 126.579 1.952 . . . . 0.0 113.327 -178.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.06 -41.84 73.63 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 -178.142 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.433 ' HB2' ' N ' ' A' ' 51' ' ' GLY . 62.7 mttp -55.21 -13.74 1.42 Allowed 'General case' 0 N--CA 1.437 -1.095 0 C-N-CA 129.066 2.946 . . . . 0.0 111.913 176.16 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.62 -39.96 73.43 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 176.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 22.1 mmt -61.39 -43.29 99.13 Favored 'General case' 0 C--N 1.34 0.188 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 178.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 32.3 mmm -57.65 -61.48 2.48 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 177.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 64.2 m -44.11 -48.59 9.06 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.607 1.163 . . . . 0.0 109.765 177.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -60.13 -44.11 95.16 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 122.346 0.259 . . . . 0.0 111.401 179.06 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.82 -32.15 70.43 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 122.965 0.506 . . . . 0.0 111.861 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 74.8 t -84.01 -39.1 14.51 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 C-N-CA 125.841 1.656 . . . . 0.0 114.409 -175.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.1 pttp -50.83 -26.15 5.39 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 120.08 1.309 . . . . 0.0 114.183 -177.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -65.88 -21.7 66.47 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 118.425 0.557 . . . . 0.0 112.321 179.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -90.79 -169.67 2.45 Favored 'General case' 0 N--CA 1.441 -0.917 0 CA-C-O 123.855 1.788 . . . . 0.0 111.675 -178.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 38.5 m -157.47 158.65 36.15 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 129.016 2.926 . . . . 0.0 107.235 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -27.71 -54.08 0.09 Allowed 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 126.928 2.091 . . . . 0.0 115.194 -177.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -61.1 -48.98 79.16 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 121.392 0.615 . . . . 0.0 110.624 -178.077 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -61.39 -46.15 91.36 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 179.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 63.8 mt -57.84 -50.34 73.61 Favored 'General case' 0 C--N 1.34 0.161 0 CA-C-O 120.685 0.279 . . . . 0.0 110.462 179.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -56.68 -47.91 78.8 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 122.979 0.511 . . . . 0.0 109.681 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.39 -43.88 96.3 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -178.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.514 HD23 ' HA ' ' A' ' 72' ' ' LEU . 10.3 mt -58.98 -49.97 75.86 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 179.342 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.57 -51.2 69.54 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 117.919 0.327 . . . . 0.0 110.556 -178.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -51.33 -45.71 62.38 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 178.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -61.56 -61.59 2.42 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 177.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.469 ' HA ' HD22 ' A' ' 79' ' ' LEU . 66.8 mtm -47.72 -29.3 2.96 Favored 'General case' 0 C--N 1.342 0.253 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 178.279 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.0 t -56.35 -36.42 68.77 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 121.963 -0.461 . . . . 0.0 110.178 178.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.0 tmtm? -91.79 -42.9 9.84 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 175.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.469 HD22 ' HA ' ' A' ' 76' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.058 0 C-N-CA 128.163 2.585 . . . . 0.0 109.804 -179.197 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.697 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -82.04 86.57 6.55 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.346 0.658 . . . . 0.0 110.561 -178.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -47.19 -51.83 13.96 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 111.346 -0.702 . . . . 0.0 111.346 179.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.84 -29.27 54.72 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 179.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.21 -42.74 18.56 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 63.3 mt -62.37 -37.37 85.44 Favored 'General case' 0 N--CA 1.436 -1.163 0 C-N-CA 123.131 0.572 . . . . 0.0 109.597 -178.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -74.25 -9.54 58.71 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 115.262 1.578 . . . . 0.0 115.262 -178.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -53.91 -35.28 61.48 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 120.352 1.433 . . . . 0.0 113.598 -177.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 p -75.43 8.61 2.67 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.878 1.271 . . . . 0.0 112.655 178.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.438 ' HB3' ' C4B' ' A' ' 80' ' ' HEM . 3.2 m -121.8 -35.77 3.14 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 126.307 1.843 . . . . 0.0 108.82 -175.427 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 21.1 mm -45.77 -32.86 1.39 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 126.085 1.754 . . . . 0.0 109.949 175.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -55.66 -38.91 73.91 Favored Glycine 0 CA--C 1.537 1.428 0 O-C-N 121.409 -0.807 . . . . 0.0 112.73 178.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 t -94.77 -46.19 7.01 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 117.951 0.876 . . . . 0.0 110.577 -179.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -77.31 -23.1 51.05 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 -176.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.05 157.94 33.89 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.411 -1.076 . . . . 0.0 110.411 -178.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.56 -44.34 25.97 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.551 1.14 . . . . 0.0 111.661 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 56.6 p-10 -100.19 19.88 15.66 Favored 'General case' 0 N--CA 1.438 -1.06 0 C-N-CA 127.792 2.437 . . . . 0.0 113.067 -178.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 49.62 20.74 2.86 Favored Glycine 0 CA--C 1.528 0.865 0 C-N-CA 124.227 0.917 . . . . 0.0 115.282 179.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.2 m -95.33 -11.27 28.08 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 117.935 0.867 . . . . 0.0 112.51 -176.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -77.81 129.64 35.69 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 107.187 -1.412 . . . . 0.0 107.187 178.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.91 86.84 1.0 Allowed 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 107.622 -1.251 . . . . 0.0 107.622 178.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.506 ' HB1' ' CHD' ' A' ' 80' ' ' HEM . . . -31.07 113.42 0.11 Allowed 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 127.573 2.349 . . . . 0.0 113.21 -179.29 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 4.5 tpt 30.97 -78.85 0.0 OUTLIER 'General case' 0 C--N 1.344 0.346 0 C-N-CA 130.613 3.565 . . . . 0.0 114.863 176.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -51.96 -35.76 41.1 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 69.1 m 120.83 64.18 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 130.935 3.694 . . . . 0.0 106.496 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.52 149.74 48.07 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 119.302 -0.959 . . . . 0.0 112.82 179.196 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.46 120.68 72.4 Favored Pre-proline 0 N--CA 1.448 -0.557 0 N-CA-C 101.822 -3.399 . . . . 0.0 101.822 173.142 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_exo -30.69 112.98 0.04 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 124.456 3.437 . . . . 0.0 113.613 -177.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 24.1 t -60.8 -26.24 37.82 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 179.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.2 tptt -51.71 94.87 0.01 OUTLIER 'General case' 0 CA--C 1.518 -0.258 0 C-N-CA 125.32 1.448 . . . . 0.0 113.099 176.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 97.57 13.3 44.83 Favored Glycine 0 N--CA 1.449 -0.461 0 CA-C-N 112.888 -1.96 . . . . 0.0 113.072 176.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -65.47 151.73 45.66 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 106.017 -1.846 . . . . 0.0 106.017 177.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -69.78 132.45 24.35 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 119.943 -1.723 . . . . 0.0 113.19 -176.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.32 -47.85 36.54 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 119.801 1.8 . . . . 0.0 111.206 179.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -59.98 -42.37 94.05 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.8 tt0 -60.36 -62.2 2.04 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 178.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 41.0 mt -46.83 -46.27 20.72 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 126.596 1.958 . . . . 0.0 110.022 179.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -64.4 -54.63 29.8 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 122.898 0.479 . . . . 0.0 111.968 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.4 mtpm? -57.59 -41.47 81.24 Favored 'General case' 0 N--CA 1.429 -1.493 0 CA-C-N 118.933 0.788 . . . . 0.0 110.092 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp -62.26 -50.4 71.84 Favored 'General case' 0 N--CA 1.438 -1.04 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 64.3 mtm -62.81 -37.66 87.63 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 117.711 -1.138 . . . . 0.0 110.661 178.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.2 tptt -61.11 -41.78 97.32 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 120.412 1.46 . . . . 0.0 107.452 178.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -55.76 -51.26 56.31 Favored Glycine 0 CA--C 1.533 1.206 0 N-CA-C 110.412 -1.075 . . . . 0.0 110.412 176.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.403 ' CZ ' ' CE2' ' A' ' 49' ' ' TYR . 15.4 m-85 -68.17 -31.33 70.81 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.066 0.546 . . . . 0.0 111.694 179.241 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.06 -59.93 2.51 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 124.154 0.982 . . . . 0.0 110.511 -177.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -145.16 29.65 1.17 Allowed 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 -175.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -131.42 19.02 4.87 Favored Glycine 0 CA--C 1.527 0.796 0 CA-C-N 119.902 1.228 . . . . 0.0 113.057 -179.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.7 t 37.86 40.29 0.27 Allowed 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 127.933 2.493 . . . . 0.0 112.496 179.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.403 ' CE2' ' CZ ' ' A' ' 44' ' ' TYR . 1.8 t80 -79.95 132.6 36.08 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 106.651 -1.611 . . . . 0.0 106.651 177.429 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 153.19 -172.47 32.12 Favored Glycine 0 C--N 1.336 0.54 0 CA-C-O 122.817 1.231 . . . . 0.0 115.337 176.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.447 ' H ' ' HB2' ' A' ' 54' ' ' LYS . . . -164.03 -179.27 38.18 Favored Glycine 0 N--CA 1.425 -2.074 1 C-N-CA 134.014 5.578 . . . . 0.0 105.427 179.387 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.38 -50.99 6.69 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.726 1.21 . . . . 0.0 112.086 -178.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 55.1 mtp85 -55.11 -38.64 68.41 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.49 1.116 . . . . 0.0 110.968 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.447 ' HB2' ' H ' ' A' ' 51' ' ' GLY . 0.3 OUTLIER -85.89 -4.71 59.23 Favored 'General case' 0 N--CA 1.435 -1.196 0 C-N-CA 125.217 1.407 . . . . 0.0 113.853 -178.321 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.02 -51.29 68.31 Favored 'General case' 0 CA--C 1.532 0.269 0 O-C-N 120.94 -1.1 . . . . 0.0 109.351 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 26.0 mmt -57.47 -49.86 74.92 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 178.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.457 ' HE1' ' C1B' ' A' ' 80' ' ' HEM . 32.1 mmm -50.51 -53.7 28.01 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.416 1.086 . . . . 0.0 111.749 179.456 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 28.2 m -52.07 -54.98 23.69 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -58.07 -37.55 74.67 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 179.226 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.11 -54.07 39.74 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 123.055 0.542 . . . . 0.0 111.644 -178.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.442 HG12 HMB3 ' A' ' 80' ' ' HEM . 1.1 m -80.33 -23.07 11.43 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 C-N-CA 119.613 -0.835 . . . . 0.0 111.734 -174.047 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -49.84 -33.05 15.69 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -177.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -76.69 -7.89 56.2 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 -178.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -92.99 178.79 5.64 Favored 'General case' 0 N--CA 1.441 -0.899 0 N-CA-C 107.721 -1.215 . . . . 0.0 107.721 179.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.8 m -127.07 157.1 40.54 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 126.984 2.113 . . . . 0.0 109.446 -177.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -39.47 -50.86 2.16 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.176 1.39 . . . . 0.0 114.202 -179.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -63.74 -39.39 94.18 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 121.22 0.533 . . . . 0.0 110.21 -178.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -67.07 -44.9 78.93 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 179.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.5 mt -57.27 -46.23 83.27 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 122.993 0.517 . . . . 0.0 109.91 177.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -59.69 -49.51 77.45 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 178.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.54 -45.81 88.12 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 -179.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.4 mt -54.91 -59.86 4.16 Favored 'General case' 0 N--CA 1.441 -0.906 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 178.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.03 -46.13 78.95 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 117.985 0.357 . . . . 0.0 110.874 -177.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -52.45 -47.06 66.65 Favored 'General case' 0 N--CA 1.457 -0.077 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 179.135 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -65.71 -65.21 0.7 Allowed 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 119.103 -0.475 . . . . 0.0 109.883 177.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.1 mtp -46.05 -32.11 2.66 Favored 'General case' 0 C--N 1.34 0.18 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 -179.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.6 t -63.38 -35.18 79.54 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 121.699 -0.625 . . . . 0.0 110.266 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 38.2 mmtm -83.05 -48.38 10.67 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 176.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.099 0 C-N-CA 128.781 2.832 . . . . 0.0 110.018 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' HEM . . . . . 0.506 ' CHD' ' HB1' ' A' ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.772 0 CA-C-O 117.977 -1.011 . . . . 0.0 108.364 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -58.37 124.7 20.43 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 118.99 0.814 . . . . 0.0 111.878 -179.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.52 -44.4 90.56 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 109.938 -1.265 . . . . 0.0 109.938 177.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.3 -7.68 20.26 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 112.902 0.704 . . . . 0.0 112.902 179.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -99.07 -52.02 3.67 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 106.753 -1.573 . . . . 0.0 106.753 175.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 32.7 mt -56.14 -41.25 75.09 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-O 119.0 -0.524 . . . . 0.0 110.952 -179.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.439 ' N ' HD21 ' A' ' 72' ' ' LEU . 4.3 t80 -67.96 -16.11 63.91 Favored 'General case' 0 C--N 1.345 0.41 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 -177.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.1 mmpt? -61.29 -25.19 66.94 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 120.761 -1.212 . . . . 0.0 110.458 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.95 -5.89 38.09 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.318 1.047 . . . . 0.0 112.304 177.721 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.9 m -112.38 -36.05 5.39 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 128.034 2.533 . . . . 0.0 110.708 -175.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -44.5 -30.25 0.64 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 C-N-CA 126.363 1.865 . . . . 0.0 110.638 177.166 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -50.6 -41.88 43.13 Favored Glycine 0 CA--C 1.536 1.375 0 CA-C-N 118.764 0.711 . . . . 0.0 111.546 176.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.2 m -97.47 -50.22 4.6 Favored 'General case' 0 C--N 1.341 0.235 0 CA-C-N 117.689 0.745 . . . . 0.0 109.927 178.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.432 ' CE1' HG21 ' A' ' 29' ' ' VAL . 69.4 m-70 -67.11 -19.25 65.59 Favored 'General case' 0 N--CA 1.433 -1.308 0 C-N-CA 126.701 2.0 . . . . 0.0 115.23 -175.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 83.95 155.69 21.81 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.346 -1.102 . . . . 0.0 110.346 -178.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -29.31 -58.69 0.15 Allowed 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 127.37 2.268 . . . . 0.0 113.769 -178.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -111.91 41.12 2.0 Favored 'General case' 0 N--CA 1.439 -0.988 0 C-N-CA 126.343 1.857 . . . . 0.0 111.571 -179.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 49.63 31.39 15.1 Favored Glycine 0 CA--C 1.531 1.052 0 CA-C-N 118.901 0.773 . . . . 0.0 114.384 178.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.6 p -87.73 -31.74 19.51 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 126.213 1.805 . . . . 0.0 112.772 -177.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -73.43 137.95 44.9 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 121.484 0.659 . . . . 0.0 109.285 -179.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.43 75.82 3.18 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 106.369 -1.715 . . . . 0.0 106.369 178.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -21.46 69.52 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 130.921 3.688 . . . . 0.0 119.897 -173.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 24.0 mmt 63.93 -67.27 0.1 Allowed 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 126.505 1.922 . . . . 0.0 109.898 178.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.61 36.21 1.83 Allowed Glycine 0 CA--C 1.526 0.763 0 O-C-N 121.493 -0.754 . . . . 0.0 111.855 178.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 27.3 m 52.23 49.89 19.58 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 125.997 1.719 . . . . 0.0 111.871 178.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.71 136.82 57.8 Favored 'General case' 0 C--N 1.346 0.448 0 C-N-CA 117.399 -1.72 . . . . 0.0 114.102 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -59.67 120.02 45.6 Favored Pre-proline 0 CA--C 1.54 0.59 0 N-CA-C 103.564 -2.754 . . . . 0.0 103.564 174.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -26.02 105.73 0.02 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.593 1 C-N-CA 125.501 4.134 . . . . 0.0 114.173 -175.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.432 HG21 ' CE1' ' A' ' 14' ' ' HIS . 47.2 t -61.24 -30.3 47.6 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -58.72 88.45 0.01 OUTLIER 'General case' 0 C--N 1.343 0.288 0 C-N-CA 124.897 1.279 . . . . 0.0 110.75 177.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 119.95 -2.53 13.21 Favored Glycine 0 CA--C 1.521 0.427 0 CA-C-N 114.59 -1.186 . . . . 0.0 113.317 177.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -62.36 146.71 50.51 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 106.12 -1.808 . . . . 0.0 106.12 176.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -77.57 143.27 27.91 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 120.844 -1.16 . . . . 0.0 113.947 -175.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.98 -48.28 16.56 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 119.621 1.71 . . . . 0.0 111.824 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -59.97 -44.06 94.68 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -59.89 -63.08 1.43 Allowed 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 42.1 mt -46.29 -48.38 18.12 Favored 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 126.814 2.046 . . . . 0.0 110.187 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -68.93 -49.76 55.24 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 118.882 -0.58 . . . . 0.0 112.049 -179.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 66.1 tttp -57.65 -40.19 78.74 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 118.806 0.73 . . . . 0.0 109.38 -179.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -67.18 -51.9 47.98 Favored 'General case' 0 N--CA 1.437 -1.119 0 C-N-CA 124.125 0.97 . . . . 0.0 110.257 -178.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 66.7 mtm -63.31 -35.99 82.19 Favored 'General case' 0 C--O 1.219 -0.53 0 CA-C-O 118.57 -0.729 . . . . 0.0 110.068 178.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -60.99 -46.98 88.58 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 177.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.57 -53.86 30.34 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.221 -1.152 . . . . 0.0 110.221 176.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -63.94 -41.86 97.48 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.23 1.015 . . . . 0.0 111.348 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.83 -50.11 61.52 Favored 'General case' 0 CA--C 1.527 0.092 0 C-N-CA 125.658 1.583 . . . . 0.0 108.434 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -86.5 7.84 24.37 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.515 1.126 . . . . 0.0 112.278 -179.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 52.51 34.5 42.67 Favored Glycine 0 CA--C 1.534 1.256 0 CA-C-N 119.204 0.911 . . . . 0.0 112.709 -179.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.8 t -118.21 34.77 5.02 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 125.656 1.582 . . . . 0.0 111.24 -178.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -164.05 161.87 22.8 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 106.594 -1.632 . . . . 0.0 106.594 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -147.7 -178.43 22.92 Favored Glycine 0 C--N 1.336 0.556 0 CA-C-O 121.563 0.535 . . . . 0.0 113.291 -178.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 172.44 176.87 41.47 Favored Glycine 0 N--CA 1.424 -2.101 0 C-N-CA 129.921 3.629 . . . . 0.0 107.941 -178.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -45.48 -40.33 8.26 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 126.396 1.878 . . . . 0.0 112.833 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 76.4 mmt-85 -122.59 40.43 3.68 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 118.682 0.673 . . . . 0.0 110.422 179.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.0 pttm -48.75 -44.06 38.26 Favored 'General case' 0 C--O 1.225 -0.215 0 C-N-CA 124.212 1.005 . . . . 0.0 113.123 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.78 -50.99 70.12 Favored 'General case' 0 N--CA 1.457 -0.118 0 O-C-N 122.365 -0.209 . . . . 0.0 110.681 -178.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 38.7 mmt -59.76 -43.11 94.46 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 179.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 36.2 mmm -57.92 -60.77 3.21 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.232 179.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 19.9 m -52.73 -42.16 64.63 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 118.82 0.736 . . . . 0.0 109.679 177.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.84 -38.99 90.26 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 119.624 1.102 . . . . 0.0 110.506 178.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.78 -36.14 65.02 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.93 0.892 . . . . 0.0 112.318 -178.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 53.8 t -87.28 -50.94 13.43 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 C-N-CA 126.671 1.989 . . . . 0.0 114.631 -175.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -54.91 -26.68 37.67 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 124.033 0.933 . . . . 0.0 112.975 -176.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -70.17 -18.64 63.21 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 118.836 0.743 . . . . 0.0 111.234 178.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -89.3 -178.49 5.64 Favored 'General case' 0 N--CA 1.437 -1.078 0 CA-C-O 122.556 1.17 . . . . 0.0 108.878 178.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.2 m -122.94 158.58 30.1 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 127.385 2.274 . . . . 0.0 109.46 -178.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -42.54 -47.28 5.12 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.873 1.269 . . . . 0.0 112.374 179.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -58.87 -49.56 77.32 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.172 0.989 . . . . 0.0 110.003 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -62.06 -44.06 97.5 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 81.3 mt -60.67 -43.43 97.69 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 122.826 0.45 . . . . 0.0 110.307 178.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.53 -45.65 89.61 Favored 'General case' 0 N--CA 1.433 -1.32 0 C-N-CA 123.781 0.832 . . . . 0.0 109.227 178.562 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.66 -45.09 95.53 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 -179.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.439 HD21 ' N ' ' A' ' 7' ' ' TYR . 14.3 mt -57.32 -60.47 3.58 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-O 118.891 -0.576 . . . . 0.0 109.708 178.541 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.94 -42.43 72.3 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.31 -177.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -54.45 -52.47 61.75 Favored 'General case' 0 C--N 1.34 0.164 0 N-CA-C 108.469 -0.938 . . . . 0.0 108.469 178.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -58.95 -62.03 2.19 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 178.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.5 mtp -48.73 -34.67 12.52 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 113.839 1.051 . . . . 0.0 113.839 -179.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.9 t -57.8 -30.86 66.04 Favored 'General case' 0 CA--C 1.534 0.362 0 O-C-N 121.48 -0.762 . . . . 0.0 110.02 179.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -117.71 42.94 2.5 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.468 1.907 . . . . 0.0 107.589 176.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.211 0 C-N-CA 127.739 2.415 . . . . 0.0 112.302 -178.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.041 0 N-CA-C 106.122 -1.807 . . . . 0.0 106.122 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 56.2 t0 73.62 102.86 0.07 Allowed 'General case' 0 CA--C 1.514 -0.433 1 N-CA-C 98.406 -4.664 . . . . 0.0 98.406 -169.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 85.41 95.52 0.75 Allowed Glycine 0 N--CA 1.421 -2.337 1 N-CA-C 95.558 -7.017 . . . . 0.0 95.558 -162.32 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 99.95 -30.8 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 128.504 2.722 . . . . 0.0 109.173 -174.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -86.15 -36.55 19.47 Favored 'General case' 0 C--N 1.351 0.632 0 CA-C-N 120.525 1.512 . . . . 0.0 108.916 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.41 ' CB ' HD21 ' A' ' 72' ' ' LEU . 62.9 mt -74.86 -37.9 62.09 Favored 'General case' 0 N--CA 1.442 -0.847 0 C-N-CA 118.606 -1.238 . . . . 0.0 108.983 -178.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -62.09 -18.29 60.29 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 -177.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? -51.74 -38.67 56.3 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 119.399 0.999 . . . . 0.0 111.289 178.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.1 p -66.72 -29.24 69.17 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.7 m -83.9 -35.09 24.35 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 126.841 2.057 . . . . 0.0 109.937 -175.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -48.55 -31.87 3.8 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 C-N-CA 125.038 1.335 . . . . 0.0 110.253 178.638 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -52.48 -40.87 55.09 Favored Glycine 0 CA--C 1.534 1.281 0 CA-C-O 119.616 -0.547 . . . . 0.0 112.233 178.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 12.8 m -98.36 -47.3 5.47 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 117.898 0.849 . . . . 0.0 110.687 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -74.13 -22.07 59.61 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 114.727 1.38 . . . . 0.0 114.727 -175.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.98 151.61 10.57 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.99 64.32 5.7 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 106.346 -1.724 . . . . 0.0 106.346 176.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.1 p30 179.6 -16.81 0.0 OUTLIER 'General case' 0 N--CA 1.437 -1.105 0 C-N-CA 130.098 3.359 . . . . 0.0 111.958 -174.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 56.56 19.4 26.98 Favored Glycine 0 C--N 1.342 0.908 0 CA-C-N 119.367 0.985 . . . . 0.0 113.694 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.3 m -104.73 -19.48 13.92 Favored 'General case' 0 N--CA 1.445 -0.695 0 C-N-CA 125.671 1.588 . . . . 0.0 109.971 -178.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -67.49 112.17 4.52 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 105.864 -1.902 . . . . 0.0 105.864 177.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.62 86.09 0.2 Allowed 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 -179.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -43.53 130.25 5.19 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 125.27 1.428 . . . . 0.0 113.572 -176.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 24.8 mmt 24.28 -79.7 0.0 OUTLIER 'General case' 0 C--N 1.342 0.275 0 C-N-CA 130.867 3.667 . . . . 0.0 114.871 179.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -52.91 -40.42 57.62 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 111.56 -0.616 . . . . 0.0 111.56 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 71.0 m 126.78 62.85 0.0 OUTLIER 'General case' 0 C--O 1.232 0.163 0 C-N-CA 131.7 4.0 . . . . 0.0 107.633 179.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.19 128.41 33.79 Favored 'General case' 0 C--N 1.345 0.388 0 C-N-CA 119.323 -0.951 . . . . 0.0 112.551 179.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.4 mmtm -64.64 120.61 67.32 Favored Pre-proline 0 N--CA 1.45 -0.435 0 N-CA-C 103.799 -2.667 . . . . 0.0 103.799 176.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 0.5 OUTLIER -19.5 97.92 0.01 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.698 1 C-N-CA 126.22 4.613 . . . . 0.0 115.1 -175.895 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.6 t -56.93 -30.22 33.0 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 N-CA-C 107.57 -1.271 . . . . 0.0 107.57 178.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -42.88 90.86 0.0 OUTLIER 'General case' 0 C--N 1.344 0.351 0 C-N-CA 126.688 1.995 . . . . 0.0 113.792 177.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 68.58 42.3 81.25 Favored Glycine 0 N--CA 1.443 -0.846 0 CA-C-N 113.327 -1.76 . . . . 0.0 110.258 177.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.475 ' HB2' HD21 ' A' ' 37' ' ' LEU . 1.6 mt-30 -52.71 -41.46 63.96 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 178.51 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -173.67 -108.36 0.21 Allowed Glycine 0 CA--C 1.534 1.234 0 C-N-CA 127.317 2.389 . . . . 0.0 108.181 173.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 173.9 -57.87 0.01 OUTLIER 'General case' 0 CA--C 1.515 -0.369 0 C-N-CA 131.391 3.876 . . . . 0.0 101.806 176.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.1 tp10 -64.4 -42.13 96.27 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 105.797 -1.927 . . . . 0.0 105.797 173.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -57.58 -65.75 0.58 Allowed 'General case' 0 C--N 1.344 0.331 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 177.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.475 HD21 ' HB2' ' A' ' 32' ' ' GLN . 29.1 mt -44.51 -47.51 10.12 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.692 1.597 . . . . 0.0 110.946 179.048 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -62.79 -53.7 50.34 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 124.171 0.988 . . . . 0.0 111.395 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -58.24 -40.33 81.48 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 -179.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 65.3 mmtt -63.12 -52.8 61.13 Favored 'General case' 0 N--CA 1.441 -0.905 0 C-N-CA 123.767 0.827 . . . . 0.0 109.37 -179.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 66.2 mtm -64.72 -36.64 84.95 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-O 118.263 -0.875 . . . . 0.0 111.029 178.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -60.29 -43.67 96.07 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 106.638 -1.615 . . . . 0.0 106.638 177.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -55.21 -53.4 40.86 Favored Glycine 0 CA--C 1.528 0.902 0 N-CA-C 110.191 -1.164 . . . . 0.0 110.191 176.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -61.17 -46.83 88.9 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 118.515 1.157 . . . . 0.0 110.031 179.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.24 -43.49 61.5 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 125.678 1.591 . . . . 0.0 109.712 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -93.47 7.89 42.79 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.893 0.877 . . . . 0.0 112.101 -178.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 53.82 32.08 47.46 Favored Glycine 0 CA--C 1.532 1.151 0 C-N-CA 124.304 0.954 . . . . 0.0 112.474 -178.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.2 t -118.3 33.86 5.45 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.613 1.565 . . . . 0.0 111.458 -178.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -164.81 164.97 20.95 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 106.618 -1.623 . . . . 0.0 106.618 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -151.13 -175.56 23.12 Favored Glycine 0 CA--C 1.523 0.593 0 CA-C-O 122.426 1.014 . . . . 0.0 113.685 -179.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -178.43 173.76 46.11 Favored Glycine 0 N--CA 1.426 -1.982 1 C-N-CA 133.483 5.325 . . . . 0.0 105.093 -178.4 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -67.72 -26.69 66.28 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 119.147 -1.021 . . . . 0.0 111.294 -177.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.9 mmp_? -105.57 26.49 9.45 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.226 1.011 . . . . 0.0 109.67 176.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.78 -36.35 36.48 Favored 'General case' 0 C--N 1.343 0.326 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -178.179 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.42 -54.08 48.22 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 118.267 0.485 . . . . 0.0 109.986 -179.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 26.6 mmt -59.17 -48.41 81.7 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 108.534 -0.914 . . . . 0.0 108.534 179.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 22.4 mmm -55.74 -51.23 68.07 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 120.971 0.415 . . . . 0.0 111.103 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 89.5 m -56.9 -49.7 74.76 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 178.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -56.95 -35.68 69.38 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 118.444 0.565 . . . . 0.0 110.301 178.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.55 -38.75 77.58 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 118.152 -0.928 . . . . 0.0 112.878 -178.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.9 m -98.13 -35.0 4.88 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-N 119.5 1.046 . . . . 0.0 113.535 -176.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 41.1 tttp -68.06 70.93 0.16 Allowed 'General case' 0 C--N 1.341 0.239 0 C-N-CA 126.342 1.857 . . . . 0.0 110.887 -176.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -169.56 -34.71 0.02 OUTLIER 'General case' 0 N--CA 1.44 -0.938 0 C-N-CA 129.399 3.08 . . . . 0.0 107.841 -179.132 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -78.86 171.38 15.26 Favored 'General case' 0 N--CA 1.433 -1.304 0 CA-C-O 122.93 1.348 . . . . 0.0 108.648 178.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 99.0 p -108.77 166.48 10.77 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 128.045 2.538 . . . . 0.0 109.706 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -48.81 -48.23 41.6 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.395 0.678 . . . . 0.0 111.932 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -58.34 -52.43 65.64 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.071 0.548 . . . . 0.0 109.809 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -59.11 -42.2 89.95 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 123.242 0.617 . . . . 0.0 110.613 179.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 40.7 mt -60.28 -46.88 88.28 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 177.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.6 tmtt? -59.76 -43.45 94.32 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 178.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.88 -48.2 82.24 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.72 0.808 . . . . 0.0 109.467 179.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' A' ' 72' ' ' LEU . 13.1 mt -57.93 -52.27 66.17 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-O 119.32 -0.372 . . . . 0.0 110.862 178.718 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.23 -48.12 82.79 Favored 'General case' 0 N--CA 1.454 -0.273 0 O-C-N 123.121 0.263 . . . . 0.0 110.422 -177.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -53.67 -44.77 69.95 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 177.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -64.95 -53.87 39.59 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 120.105 -0.638 . . . . 0.0 109.645 178.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 53.4 mtm -48.34 -38.89 20.33 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 119.405 1.002 . . . . 0.0 111.481 176.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.9 t -54.75 -30.11 55.54 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.231 -0.918 . . . . 0.0 110.676 177.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -99.75 32.36 2.89 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 126.38 1.872 . . . . 0.0 111.997 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 25.1 mt . . . . . 0 C--O 1.249 1.067 0 CA-C-O 117.717 -1.135 . . . . 0.0 108.513 174.284 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.645 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.427 ' HB3' ' HB3' ' A' ' 5' ' ' ALA . 12.3 t70 -60.07 119.29 7.53 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 119.268 0.94 . . . . 0.0 112.074 -178.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.3 -54.64 35.53 Favored Glycine 0 CA--C 1.527 0.838 0 N-CA-C 111.802 -0.519 . . . . 0.0 111.802 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.66 -46.98 74.1 Favored 'General case' 0 N--CA 1.457 -0.108 0 CA-C-N 117.633 0.716 . . . . 0.0 111.176 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.427 ' HB3' ' HB3' ' A' ' 2' ' ' ASP . . . -61.95 -52.36 64.35 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 -179.721 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 70.8 mt -53.09 -48.45 67.76 Favored 'General case' 0 N--CA 1.441 -0.913 0 CA-C-N 118.284 0.493 . . . . 0.0 110.584 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -60.63 -17.42 47.08 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 -177.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -56.83 -35.0 68.31 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 119.904 1.229 . . . . 0.0 109.567 177.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.45 -7.0 21.93 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.526 1.131 . . . . 0.0 112.799 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.5 m -115.23 -36.62 4.3 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 127.563 2.345 . . . . 0.0 110.739 -175.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.2 tp -46.5 -31.39 1.46 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 C-N-CA 125.786 1.634 . . . . 0.0 111.405 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -53.0 -42.45 60.79 Favored Glycine 0 CA--C 1.535 1.285 0 N-CA-C 111.58 -0.608 . . . . 0.0 111.58 177.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.0 m -92.56 -46.0 7.83 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 117.491 0.646 . . . . 0.0 110.05 178.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.497 ' CE1' HG21 ' A' ' 29' ' ' VAL . 86.1 m-70 -69.65 -21.59 63.53 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 115.64 1.719 . . . . 0.0 115.64 -175.39 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.57 149.2 11.76 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 109.501 -1.439 . . . . 0.0 109.501 -178.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.84 67.24 2.86 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 121.876 0.846 . . . . 0.0 110.046 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.6 p30 169.39 -10.34 0.0 OUTLIER 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 131.178 3.791 . . . . 0.0 112.802 -178.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 55.22 22.82 30.93 Favored Glycine 0 CA--C 1.53 0.987 0 CA-C-N 119.75 1.159 . . . . 0.0 111.859 -177.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.0 m -110.36 -24.48 10.61 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 125.783 1.633 . . . . 0.0 110.346 -178.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -78.32 70.76 4.72 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 179.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -11.55 93.23 0.01 OUTLIER 'General case' 0 C--N 1.342 0.275 0 C-N-CA 129.281 3.032 . . . . 0.0 111.925 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -43.51 132.52 4.7 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 114.311 1.226 . . . . 0.0 114.311 -175.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 26.3 mmt 16.99 -77.04 0.0 OUTLIER 'General case' 0 C--N 1.343 0.305 0 C-N-CA 130.272 3.429 . . . . 0.0 113.527 179.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.1 40.94 1.25 Allowed Glycine 0 CA--C 1.533 1.184 0 CA-C-N 118.722 0.692 . . . . 0.0 112.334 178.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.6 m 49.96 54.5 10.96 Favored 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 126.731 2.012 . . . . 0.0 111.541 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.29 140.8 43.77 Favored 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -59.35 119.37 38.7 Favored Pre-proline 0 N--CA 1.452 -0.374 0 N-CA-C 103.567 -2.753 . . . . 0.0 103.567 175.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_exo -29.47 102.05 0.02 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 124.8 3.666 . . . . 0.0 113.456 -177.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.497 HG21 ' CE1' ' A' ' 14' ' ' HIS . 61.8 t -57.03 -29.47 31.56 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 51.5 tptt -40.68 91.79 0.0 OUTLIER 'General case' 0 C--N 1.341 0.207 0 C-N-CA 128.368 2.667 . . . . 0.0 113.122 175.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 64.05 44.08 96.37 Favored Glycine 0 N--CA 1.444 -0.81 0 CA-C-N 112.137 -2.301 . . . . 0.0 109.892 178.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -53.9 -42.36 68.61 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 179.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.32 -109.01 0.24 Allowed Glycine 0 CA--C 1.531 1.088 0 C-N-CA 127.734 2.588 . . . . 0.0 107.563 173.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 178.71 -60.26 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 130.555 3.542 . . . . 0.0 101.949 176.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.4 tp10 -63.82 -39.54 94.47 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 105.552 -2.018 . . . . 0.0 105.552 173.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -57.18 -64.36 0.91 Allowed 'General case' 0 C--N 1.343 0.318 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 177.156 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 17.1 mt -47.53 -44.56 25.87 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.245 1.418 . . . . 0.0 111.128 179.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -65.84 -50.33 64.96 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 123.127 0.571 . . . . 0.0 111.101 179.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -58.5 -41.1 84.6 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.542 0.737 . . . . 0.0 109.128 179.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -62.22 -53.82 49.77 Favored 'General case' 0 N--CA 1.439 -0.997 0 C-N-CA 123.994 0.918 . . . . 0.0 109.072 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 56.7 mtm -60.1 -50.12 74.97 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-O 117.898 -1.049 . . . . 0.0 110.021 178.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -51.72 -42.17 62.07 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 119.772 1.169 . . . . 0.0 108.625 178.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -53.11 -48.68 58.22 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 110.172 -1.171 . . . . 0.0 110.172 176.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -70.32 -54.48 12.41 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 120.747 -1.443 . . . . 0.0 109.231 178.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -38.38 -56.73 1.21 Allowed 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 129.289 3.036 . . . . 0.0 111.42 -178.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -146.57 29.67 1.02 Allowed 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 113.45 0.908 . . . . 0.0 113.45 -175.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -145.84 21.4 1.8 Allowed Glycine 0 CA--C 1.529 0.909 0 CA-C-N 120.435 1.471 . . . . 0.0 113.924 -179.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 24.2 t 39.82 43.42 1.19 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 127.566 2.346 . . . . 0.0 112.89 179.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -67.21 161.79 24.02 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 175.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -125.24 -176.52 14.57 Favored Glycine 0 C--N 1.338 0.65 0 N-CA-C 116.382 1.313 . . . . 0.0 116.382 -177.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 163.69 176.68 35.86 Favored Glycine 0 N--CA 1.425 -2.096 1 C-N-CA 131.034 4.159 . . . . 0.0 106.384 -177.636 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -55.65 -44.24 77.02 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 124.061 0.945 . . . . 0.0 109.49 179.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 34.7 mtp85 -111.7 35.15 3.78 Favored 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 124.068 0.947 . . . . 0.0 111.44 -178.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.3 pttt -45.98 -42.42 13.05 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 125.067 1.347 . . . . 0.0 112.937 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.46 -50.94 65.51 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.447 0.699 . . . . 0.0 110.716 -178.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -59.43 -44.15 92.96 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 179.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 27.2 mmm -57.91 -58.98 6.02 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.839 178.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 64.1 m -51.43 -41.36 60.75 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 123.703 0.801 . . . . 0.0 110.135 177.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -62.63 -48.8 77.79 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 119.801 1.182 . . . . 0.0 110.186 178.056 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.09 -34.73 75.4 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 123.979 0.912 . . . . 0.0 112.471 -179.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 61.1 t -88.69 -50.83 13.08 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 C-N-CA 125.805 1.642 . . . . 0.0 114.625 -175.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 34.3 ttmt -54.85 -27.51 42.92 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.456 1.103 . . . . 0.0 112.599 -177.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.0 ptpp? -66.94 -19.74 65.78 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 118.545 0.611 . . . . 0.0 111.091 177.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -96.71 -176.99 3.76 Favored 'General case' 0 N--CA 1.438 -1.04 0 C-N-CA 125.048 1.339 . . . . 0.0 108.884 178.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.3 t -132.54 167.98 19.04 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 125.839 1.656 . . . . 0.0 109.812 178.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.8 p-10 -35.96 -51.22 0.71 Allowed 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 127.202 2.201 . . . . 0.0 113.264 -179.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -60.59 -54.25 47.72 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.127 0.571 . . . . 0.0 109.796 -178.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.3 mp0 -55.99 -46.94 78.52 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.325 0.65 . . . . 0.0 109.626 178.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.4 mt -60.55 -47.47 86.05 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 117.861 0.3 . . . . 0.0 110.761 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -63.27 -40.21 96.75 Favored 'General case' 0 N--CA 1.452 -0.334 0 O-C-N 121.937 -0.477 . . . . 0.0 110.125 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.07 -44.51 84.27 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.9 mt -56.94 -59.56 4.87 Favored 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 178.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -50.77 -50.23 56.41 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 123.596 0.56 . . . . 0.0 110.588 -178.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -53.11 -45.18 68.15 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 176.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 47.1 t80 -65.17 -53.48 44.28 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 118.074 -0.965 . . . . 0.0 109.641 177.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.8 mpp? -48.66 -36.08 15.22 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 120.454 1.479 . . . . 0.0 111.722 177.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.7 t -54.93 -31.05 59.97 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 121.233 -0.917 . . . . 0.0 110.546 177.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 38.0 mmtm -96.71 29.44 2.99 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.061 1.744 . . . . 0.0 111.864 179.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 27.8 mt . . . . . 0 C--O 1.25 1.104 0 CA-C-O 117.128 -1.415 . . . . 0.0 108.589 174.635 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.698 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -83.06 92.58 7.42 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -47.19 -49.79 18.12 Favored Glycine 0 CA--C 1.528 0.894 0 C-N-CA 123.285 0.469 . . . . 0.0 112.102 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.22 -28.94 44.37 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.437 0.695 . . . . 0.0 112.614 179.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.04 -22.73 42.02 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-O 119.199 -0.429 . . . . 0.0 110.383 -178.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.438 ' CB ' HD13 ' A' ' 72' ' ' LEU . 7.2 mt -90.5 -29.32 17.98 Favored 'General case' 0 N--CA 1.438 -1.067 0 N-CA-C 106.042 -1.836 . . . . 0.0 106.042 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.444 ' CE1' ' SD ' ' A' ' 76' ' ' MET . 0.8 OUTLIER -69.87 -12.99 62.04 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 178.486 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -51.99 -43.89 63.82 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 121.139 -0.976 . . . . 0.0 111.21 179.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.02 -5.85 7.28 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.08 1.352 . . . . 0.0 113.428 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.2 m -113.27 -37.76 4.62 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 127.546 2.338 . . . . 0.0 110.862 -174.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -46.49 -27.84 0.85 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 C-N-CA 125.826 1.65 . . . . 0.0 110.631 178.042 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -56.21 -48.49 74.22 Favored Glycine 0 CA--C 1.538 1.515 0 O-C-N 121.263 -0.898 . . . . 0.0 111.545 176.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.8 m -88.54 -39.92 13.79 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 117.854 0.827 . . . . 0.0 110.761 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -80.41 -19.26 46.6 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 -176.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 86.54 157.46 30.19 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.353 -1.099 . . . . 0.0 110.353 -178.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -30.94 -58.73 0.22 Allowed 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 127.06 2.144 . . . . 0.0 113.9 -178.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -112.41 35.7 3.7 Favored 'General case' 0 N--CA 1.442 -0.855 0 C-N-CA 125.813 1.645 . . . . 0.0 111.836 -179.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 56.56 24.94 49.04 Favored Glycine 0 CA--C 1.532 1.094 0 N-CA-C 116.763 1.465 . . . . 0.0 116.763 177.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 59.3 m -80.18 -27.77 38.86 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 118.206 1.003 . . . . 0.0 113.57 -178.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt -71.09 134.92 47.42 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 119.259 0.936 . . . . 0.0 110.694 -178.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.71 75.91 2.69 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 105.83 -1.915 . . . . 0.0 105.83 176.157 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -29.27 120.86 0.14 Allowed 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 126.741 2.016 . . . . 0.0 114.913 -175.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 90.9 mmm 16.83 -67.8 0.0 OUTLIER 'General case' 0 C--N 1.345 0.393 1 C-N-CA 132.587 4.355 . . . . 0.0 115.615 179.182 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -52.54 -28.82 30.26 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 123.387 0.517 . . . . 0.0 111.942 178.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 33.5 m 111.03 56.92 0.0 OUTLIER 'General case' 0 CA--C 1.523 -0.07 0 C-N-CA 131.62 3.968 . . . . 0.0 106.227 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.03 148.05 50.64 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 114.028 1.121 . . . . 0.0 114.028 -177.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.11 120.2 72.74 Favored Pre-proline 0 N--CA 1.451 -0.411 0 N-CA-C 101.583 -3.488 . . . . 0.0 101.583 173.087 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_exo -30.81 108.17 0.04 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 124.369 3.379 . . . . 0.0 112.672 -177.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 41.3 t -55.81 -32.96 33.31 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 -179.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.433 ' HA ' HD23 ' A' ' 79' ' ' LEU . 51.9 tttp -56.73 97.4 0.02 OUTLIER 'General case' 0 C--N 1.343 0.312 0 CA-C-O 122.423 1.106 . . . . 0.0 111.396 177.492 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 114.57 -3.86 23.2 Favored Glycine 0 C--N 1.32 -0.345 0 CA-C-N 114.295 -1.321 . . . . 0.0 113.03 177.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -63.42 147.09 52.19 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 106.556 -1.646 . . . . 0.0 106.556 177.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -77.31 141.28 25.67 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 120.755 -1.215 . . . . 0.0 114.186 -174.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.78 -48.68 10.91 Favored 'General case' 0 C--N 1.341 0.231 0 CA-C-N 119.605 1.703 . . . . 0.0 112.169 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.3 tp10 -60.9 -43.41 98.58 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -60.59 -60.23 4.14 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 124.568 1.147 . . . . 0.0 108.348 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 40.0 mt -47.97 -50.7 26.43 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 127.025 2.13 . . . . 0.0 109.592 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -64.99 -52.21 57.46 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 123.498 0.719 . . . . 0.0 112.288 -179.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -58.14 -40.79 82.25 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-O 121.565 0.698 . . . . 0.0 109.421 -178.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -68.77 -47.03 67.23 Favored 'General case' 0 N--CA 1.438 -1.036 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.434 -178.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 55.7 mtm -64.69 -35.1 79.94 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.001 178.331 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -60.95 -44.72 96.88 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 106.422 -1.696 . . . . 0.0 106.422 176.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -55.72 -53.27 42.84 Favored Glycine 0 CA--C 1.529 0.937 0 CA-C-O 119.087 -0.84 . . . . 0.0 111.278 177.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.401 ' CZ ' ' CE2' ' A' ' 49' ' ' TYR . 25.0 m-85 -62.13 -47.83 82.83 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 118.722 1.261 . . . . 0.0 109.548 179.661 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.32 -45.6 54.89 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 125.653 1.581 . . . . 0.0 109.858 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -90.5 6.56 42.98 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.634 0.774 . . . . 0.0 112.258 -178.254 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 54.63 32.96 54.35 Favored Glycine 0 CA--C 1.532 1.114 0 CA-C-N 118.976 0.807 . . . . 0.0 112.249 -178.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.6 t -111.73 17.96 19.39 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.234 1.414 . . . . 0.0 111.716 -178.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.401 ' CE2' ' CZ ' ' A' ' 44' ' ' TYR . 8.7 t80 -162.51 140.35 8.42 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 105.58 -2.008 . . . . 0.0 105.58 179.687 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 139.91 -174.06 22.59 Favored Glycine 0 C--N 1.334 0.429 0 CA-C-O 122.479 1.044 . . . . 0.0 113.128 178.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -173.82 -175.55 41.58 Favored Glycine 0 N--CA 1.425 -2.073 1 C-N-CA 132.409 4.814 . . . . 0.0 105.956 -178.739 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -45.34 -53.55 8.38 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 124.381 1.072 . . . . 0.0 111.541 -178.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.403 HH12 ' CGD' ' A' ' 80' ' ' HEM . 21.0 mtp-105 -56.36 -33.29 65.55 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.221 1.008 . . . . 0.0 110.901 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.418 ' HA ' ' HB2' ' A' ' 57' ' ' MET . 28.8 mtmt -99.68 10.83 40.65 Favored 'General case' 0 N--CA 1.432 -1.336 0 C-N-CA 126.324 1.85 . . . . 0.0 112.266 -178.148 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.97 -48.42 45.21 Favored 'General case' 0 C--O 1.232 0.165 0 N-CA-C 106.592 -1.632 . . . . 0.0 106.592 176.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.5 mpp? -55.42 -46.84 76.65 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 177.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.418 ' HB2' ' HA ' ' A' ' 54' ' ' LYS . 38.5 mmm -52.91 -57.36 10.54 Favored 'General case' 0 CA--C 1.517 -0.325 0 C-N-CA 124.23 1.012 . . . . 0.0 110.556 178.166 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 97.6 m -48.89 -53.78 18.1 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 179.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -56.74 -36.33 69.63 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 122.714 0.406 . . . . 0.0 111.192 178.048 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.35 -43.76 63.59 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 123.853 0.861 . . . . 0.0 112.863 -177.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.2 m -91.12 -26.79 5.04 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 CA-C-N 119.051 0.841 . . . . 0.0 111.814 -175.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -54.16 -27.33 32.99 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 119.256 0.934 . . . . 0.0 112.386 -177.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -77.61 -1.67 32.03 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 118.927 -0.559 . . . . 0.0 112.22 178.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 18.0 m-30 -110.07 149.13 30.46 Favored 'General case' 0 N--CA 1.442 -0.856 0 C-N-CA 126.289 1.836 . . . . 0.0 107.061 178.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 92.0 p -97.96 167.18 11.06 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 126.858 2.063 . . . . 0.0 110.286 -179.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -45.08 -48.1 11.92 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.196 0.998 . . . . 0.0 113.125 -179.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -60.27 -49.36 77.93 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 121.149 0.5 . . . . 0.0 110.085 -179.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -60.31 -50.97 71.51 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 46.6 mt -54.47 -49.33 70.33 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 124.398 1.079 . . . . 0.0 110.587 179.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -57.84 -45.88 85.58 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.07 -44.55 95.47 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 179.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.528 HD21 HMB3 ' A' ' 80' ' ' HEM . 12.0 tp -56.8 -51.24 69.7 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 123.76 0.824 . . . . 0.0 109.504 -179.561 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.11 -45.31 89.21 Favored 'General case' 0 C--O 1.226 -0.159 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -50.97 -46.25 61.13 Favored 'General case' 0 C--N 1.34 0.182 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 178.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -63.2 -62.63 1.56 Allowed 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 177.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.48 ' HA ' HD22 ' A' ' 79' ' ' LEU . 70.6 mtm -48.47 -30.17 4.87 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.1 t -59.71 -34.44 72.92 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 121.792 -0.567 . . . . 0.0 110.439 -179.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.4 pttm -97.13 -35.52 10.77 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 176.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.48 HD22 ' HA ' ' A' ' 76' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.134 0 C-N-CA 128.54 2.736 . . . . 0.0 110.929 178.555 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' HEM . . . . . 0.528 HMB3 HD21 ' A' ' 72' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.703 0 N-CA-C 106.693 -1.595 . . . . 0.0 106.693 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -58.8 146.21 37.9 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 106.562 -1.644 . . . . 0.0 106.562 176.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 75.61 78.12 0.68 Allowed Glycine 0 N--CA 1.441 -0.998 1 N-CA-C 101.116 -4.793 . . . . 0.0 101.116 -171.253 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 122.5 -38.58 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 130.615 3.566 . . . . 0.0 107.565 -174.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -84.79 -22.45 29.56 Favored 'General case' 0 C--N 1.346 0.45 0 C-N-CA 119.204 -0.998 . . . . 0.0 109.882 -177.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.438 ' C ' HD21 ' A' ' 72' ' ' LEU . 32.7 mt -83.29 -31.71 26.76 Favored 'General case' 0 N--CA 1.44 -0.953 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -179.403 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.481 ' HD1' HD22 ' A' ' 72' ' ' LEU . 1.8 t80 -79.82 -12.93 59.74 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 115.344 1.609 . . . . 0.0 115.344 -178.369 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -46.38 -40.41 11.97 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -177.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.3 p -70.57 -42.14 71.47 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 122.042 0.925 . . . . 0.0 111.8 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.8 m -62.74 -36.3 82.57 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 126.692 1.997 . . . . 0.0 108.937 -176.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -48.74 -30.97 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.591 0 CA-C-N 114.449 -1.25 . . . . 0.0 110.387 178.248 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -58.81 -37.05 89.69 Favored Glycine 0 CA--C 1.532 1.154 0 CA-C-O 119.43 -0.65 . . . . 0.0 113.102 179.303 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.9 t -96.33 -40.84 8.93 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 118.337 1.068 . . . . 0.0 110.893 -178.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.429 ' CE1' HG21 ' A' ' 29' ' ' VAL . 81.5 m-70 -80.09 -17.96 51.24 Favored 'General case' 0 N--CA 1.432 -1.37 0 C-N-CA 126.474 1.91 . . . . 0.0 114.562 -176.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.78 156.75 21.17 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.095 -1.202 . . . . 0.0 110.095 -179.217 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.25 -51.21 6.28 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.878 1.271 . . . . 0.0 112.432 -179.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -93.61 10.01 34.47 Favored 'General case' 0 N--CA 1.441 -0.895 0 C-N-CA 126.139 1.776 . . . . 0.0 113.892 -178.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 68.96 7.77 56.79 Favored Glycine 0 CA--C 1.529 0.928 0 CA-C-O 118.592 -1.115 . . . . 0.0 115.041 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.6 m -90.52 -11.2 40.89 Favored 'General case' 0 C--N 1.339 0.116 0 CA-C-N 118.902 1.351 . . . . 0.0 112.645 -178.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -71.87 118.68 15.02 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 106.154 -1.795 . . . . 0.0 106.154 179.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.98 84.03 0.32 Allowed 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 179.097 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.619 ' HB1' ' CHD' ' A' ' 80' ' ' HEM . . . -32.39 125.07 0.31 Allowed 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 128.587 2.755 . . . . 0.0 110.781 178.693 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 87.8 mmm 5.9 -70.98 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 129.732 3.213 . . . . 0.0 114.724 -177.277 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.74 41.98 0.86 Allowed Glycine 0 CA--C 1.537 1.461 0 CA-C-N 118.792 0.723 . . . . 0.0 112.638 178.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 34.8 m 50.24 55.67 9.1 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 127.246 2.219 . . . . 0.0 111.994 179.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.46 ' HB2' ' HB3' ' A' ' 22' ' ' ALA . . . -61.79 148.76 42.07 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 117.161 -1.816 . . . . 0.0 112.418 178.738 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.73 153.54 93.25 Favored Pre-proline 0 N--CA 1.445 -0.705 0 N-CA-C 103.494 -2.78 . . . . 0.0 103.494 174.173 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -52.69 114.69 1.81 Allowed 'Trans proline' 0 N--CA 1.454 -0.851 0 C-N-CA 121.438 1.425 . . . . 0.0 108.93 -179.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.429 HG21 ' CE1' ' A' ' 14' ' ' HIS . 52.1 t -66.36 -25.11 34.6 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 N-CA-C 107.888 -1.152 . . . . 0.0 107.888 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 51.0 tttp -43.7 86.23 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 127.451 2.3 . . . . 0.0 114.285 177.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 73.66 44.18 33.26 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-N 113.317 -1.765 . . . . 0.0 110.572 178.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.498 ' HB2' HD21 ' A' ' 37' ' ' LEU . 2.0 tt0 -51.22 -41.91 60.61 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 179.424 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -179.32 -107.25 0.21 Allowed Glycine 0 CA--C 1.534 1.224 0 C-N-CA 127.862 2.648 . . . . 0.0 108.133 172.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 172.46 -58.75 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 130.929 3.692 . . . . 0.0 102.322 176.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -63.57 -42.53 98.31 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 105.374 -2.084 . . . . 0.0 105.374 172.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -55.03 -67.0 0.31 Allowed 'General case' 0 C--N 1.342 0.281 0 C-N-CA 124.895 1.278 . . . . 0.0 108.529 177.268 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.498 HD21 ' HB2' ' A' ' 32' ' ' GLN . 39.0 mt -44.7 -49.2 10.58 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 126.154 1.781 . . . . 0.0 110.725 179.336 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -63.76 -52.27 61.14 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 123.639 0.776 . . . . 0.0 112.101 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -58.34 -41.48 84.71 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 -178.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -66.48 -49.68 65.8 Favored 'General case' 0 N--CA 1.438 -1.043 0 C-N-CA 123.382 0.673 . . . . 0.0 110.669 -178.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 61.3 mtm -64.1 -39.83 94.9 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-O 118.163 -0.922 . . . . 0.0 110.161 178.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -58.9 -43.19 90.97 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 106.76 -1.57 . . . . 0.0 106.76 176.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.01 -55.97 18.74 Favored Glycine 0 CA--C 1.528 0.856 0 N-CA-C 109.775 -1.33 . . . . 0.0 109.775 176.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -63.66 -47.03 82.91 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 118.683 1.241 . . . . 0.0 110.856 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -46.41 -50.47 16.64 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 126.177 1.791 . . . . 0.0 109.694 -179.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -92.05 14.02 17.12 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.631 1.173 . . . . 0.0 112.745 -178.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 52.17 33.52 38.13 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 124.6 1.095 . . . . 0.0 113.53 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.0 t -115.32 29.42 8.02 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.95 1.7 . . . . 0.0 111.641 -178.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 56.4 t80 -162.85 164.41 26.07 Favored 'General case' 0 C--O 1.232 0.134 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 178.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -160.2 -178.2 33.98 Favored Glycine 0 N--CA 1.445 -0.763 0 CA-C-O 121.779 0.655 . . . . 0.0 112.677 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 178.86 178.66 48.29 Favored Glycine 0 N--CA 1.422 -2.279 0 C-N-CA 130.504 3.907 . . . . 0.0 107.322 -178.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -48.38 -26.85 2.26 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.401 1.88 . . . . 0.0 114.047 -178.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.05 38.9 3.33 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 119.968 1.258 . . . . 0.0 110.401 178.483 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.41 -30.76 63.19 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 -178.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.76 -58.24 8.15 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 118.633 0.651 . . . . 0.0 109.744 -178.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.15 -48.64 78.21 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 178.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.2 mmm -54.36 -50.51 67.28 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 81.7 m -58.01 -48.87 78.75 Favored 'General case' 0 N--CA 1.452 -0.343 0 O-C-N 121.424 -0.797 . . . . 0.0 109.218 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -58.31 -37.09 74.37 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 178.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.19 -46.17 85.11 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 123.764 0.826 . . . . 0.0 112.219 -179.175 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.4 m -96.53 -26.2 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -174.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -57.66 -24.15 55.11 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 119.849 1.204 . . . . 0.0 112.314 -176.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.9 pttp -74.74 -2.17 25.24 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 119.089 -0.481 . . . . 0.0 111.508 177.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.416 ' CE2' HD11 ' A' ' 72' ' ' LEU . 17.6 m-85 -113.23 147.84 36.71 Favored 'General case' 0 N--CA 1.439 -1.002 0 C-N-CA 126.299 1.839 . . . . 0.0 108.311 179.107 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 91.2 p -97.92 167.31 10.99 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 127.558 2.343 . . . . 0.0 110.193 -179.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -40.69 -50.41 3.08 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.723 1.209 . . . . 0.0 113.485 -179.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -63.0 -47.2 84.17 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 121.055 0.455 . . . . 0.0 110.618 -178.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -61.28 -44.82 96.59 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 45.5 mt -59.83 -45.76 91.36 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.638 0.775 . . . . 0.0 109.411 178.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -60.57 -45.01 95.53 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.689 -0.632 . . . . 0.0 109.599 178.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.01 -45.32 95.31 Favored 'General case' 0 CA--C 1.521 -0.152 0 C-N-CA 123.497 0.719 . . . . 0.0 109.171 179.197 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.481 HD22 ' HD1' ' A' ' 7' ' ' TYR . 12.5 mt -58.94 -51.62 69.26 Favored 'General case' 0 N--CA 1.442 -0.845 0 O-C-N 122.303 -0.248 . . . . 0.0 111.039 178.643 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.0 -48.7 80.63 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 -178.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -53.06 -45.64 68.18 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 176.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 55.0 t80 -60.35 -59.85 4.75 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 178.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 56.7 mtm -49.34 -32.72 11.83 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.417 0.687 . . . . 0.0 112.543 177.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.1 t -56.96 -34.02 67.63 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 121.255 -0.903 . . . . 0.0 110.508 177.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? -113.59 44.78 1.53 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.11 1.364 . . . . 0.0 108.71 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 27.2 tp . . . . . 0 C--O 1.25 1.089 0 C-N-CA 125.19 1.396 . . . . 0.0 110.524 178.566 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' HEM . . . . . 0.619 ' CHD' ' HB1' ' A' ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.665 0 CA-C-O 117.221 -1.371 . . . . 0.0 107.596 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -61.53 133.7 56.0 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 119.671 1.123 . . . . 0.0 111.236 -179.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.52 -60.45 7.81 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 109.899 -1.281 . . . . 0.0 109.899 179.22 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -48.0 -46.78 33.23 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 117.522 0.661 . . . . 0.0 111.274 -179.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.53 -38.62 69.49 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-O 119.47 -0.3 . . . . 0.0 111.803 -179.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.426 ' HB2' HD21 ' A' ' 72' ' ' LEU . 67.5 mt -75.69 -50.99 13.74 Favored 'General case' 0 N--CA 1.435 -1.203 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 178.732 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.435 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 2.6 t80 -57.12 -22.6 41.12 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 -178.066 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -49.21 -34.86 15.73 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 119.232 0.924 . . . . 0.0 111.34 177.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.5 p -66.75 -34.48 77.92 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 121.453 -0.779 . . . . 0.0 112.518 179.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.435 ' SG ' ' HA ' ' A' ' 7' ' ' TYR . 3.7 m -76.87 -35.64 57.3 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 127.619 2.368 . . . . 0.0 109.875 -175.147 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -45.44 -32.37 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 C-N-CA 125.412 1.485 . . . . 0.0 111.397 179.475 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -53.93 -49.19 59.71 Favored Glycine 0 CA--C 1.533 1.159 0 N-CA-C 111.643 -0.583 . . . . 0.0 111.643 178.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.5 m -86.36 -42.64 13.5 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 117.585 0.692 . . . . 0.0 109.76 179.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.48 ' CE1' HG21 ' A' ' 29' ' ' VAL . 81.7 m-70 -66.92 -21.34 65.99 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -176.704 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 71.22 107.86 0.05 OUTLIER Glycine 0 CA--C 1.527 0.815 0 N-CA-C 115.795 1.078 . . . . 0.0 115.795 175.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 62.73 -65.0 0.1 Allowed 'General case' 0 C--N 1.342 0.27 0 C-N-CA 128.064 2.546 . . . . 0.0 111.74 177.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.6 p30 -127.3 -78.65 0.58 Allowed 'General case' 0 N--CA 1.421 -1.889 0 C-N-CA 129.442 3.097 . . . . 0.0 105.97 178.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -162.23 39.14 0.37 Allowed Glycine 0 CA--C 1.52 0.364 0 N-CA-C 107.364 -2.294 . . . . 0.0 107.364 178.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 79.2 p -86.74 -37.62 17.73 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.983 0.913 . . . . 0.0 112.288 -177.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -77.71 131.98 37.94 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 -179.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.09 78.22 1.73 Allowed 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 106.837 -1.542 . . . . 0.0 106.837 178.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -23.63 67.15 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 131.218 3.807 . . . . 0.0 120.457 -173.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 82.7 mmm 66.46 -54.15 0.42 Allowed 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 127.016 2.126 . . . . 0.0 112.327 176.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -92.06 35.72 3.91 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 109.607 -1.397 . . . . 0.0 109.607 177.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.0 m 52.5 49.85 19.53 Favored 'General case' 0 N--CA 1.445 -0.675 0 C-N-CA 124.775 1.23 . . . . 0.0 110.648 179.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.01 126.75 29.0 Favored 'General case' 0 C--N 1.345 0.385 0 C-N-CA 118.261 -1.376 . . . . 0.0 112.934 -178.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.71 126.22 82.31 Favored Pre-proline 0 CA--C 1.537 0.466 0 N-CA-C 102.884 -3.006 . . . . 0.0 102.884 174.166 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_endo -31.78 106.12 0.03 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 124.866 3.71 . . . . 0.0 114.014 -172.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.48 HG21 ' CE1' ' A' ' 14' ' ' HIS . 76.6 t -57.91 -30.27 37.89 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 178.048 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -47.14 89.67 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 127.021 2.128 . . . . 0.0 113.932 176.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 79.57 39.31 18.41 Favored Glycine 0 N--CA 1.444 -0.833 0 CA-C-N 112.083 -2.326 . . . . 0.0 111.296 177.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.417 ' HB2' HD21 ' A' ' 37' ' ' LEU . 5.2 mt-30 -57.43 -46.84 83.12 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 179.382 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 143.87 126.16 1.95 Allowed Glycine 0 C--O 1.213 -1.162 0 C-N-CA 127.044 2.259 . . . . 0.0 109.108 175.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.06 -51.16 18.26 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 122.077 2.938 . . . . 0.0 112.141 -178.009 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.3 tp10 -58.51 -45.86 87.92 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 179.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -56.8 -65.17 0.66 Allowed 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 124.832 1.253 . . . . 0.0 109.089 179.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.417 HD21 ' HB2' ' A' ' 32' ' ' GLN . 4.5 mt -51.47 -43.19 62.07 Favored 'General case' 0 N--CA 1.44 -0.927 0 C-N-CA 125.622 1.569 . . . . 0.0 111.096 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -67.11 -45.36 77.45 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 118.725 0.693 . . . . 0.0 110.873 -178.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -64.88 -41.88 95.26 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 -178.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -67.03 -50.38 62.21 Favored 'General case' 0 N--CA 1.441 -0.915 0 C-N-CA 123.323 0.649 . . . . 0.0 111.187 -178.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -65.27 -39.5 92.68 Favored 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 -179.243 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -60.64 -44.88 95.88 Favored 'General case' 0 C--N 1.34 0.16 0 N-CA-C 106.852 -1.536 . . . . 0.0 106.852 175.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -53.13 -50.18 52.8 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.362 -1.095 . . . . 0.0 110.362 177.102 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -64.94 -42.55 94.55 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 119.061 1.431 . . . . 0.0 109.672 178.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.88 -44.56 59.8 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.171 0.988 . . . . 0.0 109.824 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.6 p30 -99.03 10.94 40.44 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.45 0.7 . . . . 0.0 112.667 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.84 20.89 60.33 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 124.86 1.219 . . . . 0.0 115.578 179.301 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.4 t -104.89 36.47 2.44 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 119.616 1.708 . . . . 0.0 111.683 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -155.55 162.71 40.62 Favored 'General case' 0 CA--C 1.528 0.107 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 178.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -139.24 -174.86 13.75 Favored Glycine 0 C--N 1.338 0.642 0 C-N-CA 123.388 0.518 . . . . 0.0 113.525 -178.007 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 161.5 176.87 34.06 Favored Glycine 0 N--CA 1.427 -1.965 0 C-N-CA 128.726 3.06 . . . . 0.0 108.451 -177.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -55.19 -46.22 75.85 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 126.145 1.778 . . . . 0.0 112.13 -179.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -118.02 36.38 4.36 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 118.235 0.47 . . . . 0.0 109.84 179.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -50.51 -34.49 25.43 Favored 'General case' 0 N--CA 1.439 -0.984 0 C-N-CA 124.175 0.99 . . . . 0.0 112.659 -179.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.55 -53.64 39.24 Favored 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 123.258 0.623 . . . . 0.0 110.131 -179.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 89.2 mmm -57.49 -44.49 85.0 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 179.009 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.9 mmm -55.98 -61.0 2.67 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.676 178.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 85.9 m -48.11 -46.38 33.96 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.864 1.266 . . . . 0.0 109.513 177.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -43.28 88.73 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 118.339 0.518 . . . . 0.0 110.482 178.088 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.49 -31.06 66.7 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.0 0.52 . . . . 0.0 112.185 -178.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 53.3 t -89.95 -47.94 14.58 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 N-CA-C 116.88 2.178 . . . . 0.0 116.88 -174.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -48.42 -29.95 4.57 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 -174.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -65.59 -19.43 65.91 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -79.75 -169.81 2.12 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-O 123.961 1.839 . . . . 0.0 110.643 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 51.3 m -152.72 158.41 42.28 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 127.597 2.359 . . . . 0.0 107.575 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -34.04 -51.84 0.43 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 126.262 1.825 . . . . 0.0 114.244 -176.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.32 -52.14 66.92 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.231 0.539 . . . . 0.0 109.865 -179.5 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -58.25 -46.45 85.96 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 123.671 0.788 . . . . 0.0 109.375 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 48.2 mt -58.13 -48.0 81.56 Favored 'General case' 0 N--CA 1.457 -0.087 0 C-N-CA 122.698 0.399 . . . . 0.0 110.535 178.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -60.97 -44.03 97.92 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 122.911 0.485 . . . . 0.0 109.739 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.94 -44.24 93.43 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.463 HD23 ' HA ' ' A' ' 72' ' ' LEU . 11.4 mt -59.35 -60.81 3.26 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-O 118.499 -0.762 . . . . 0.0 109.485 178.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.39 -42.12 73.57 Favored 'General case' 0 C--O 1.226 -0.162 0 CA-C-N 118.751 0.705 . . . . 0.0 110.493 -178.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -53.59 -49.75 67.11 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 178.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -62.39 -58.74 6.57 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 177.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.9 mtp -50.13 -29.38 8.99 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 114.065 1.135 . . . . 0.0 114.065 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.1 t -65.06 -29.68 70.59 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 120.832 -1.168 . . . . 0.0 110.75 178.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.7 pttm -114.95 38.73 3.07 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.606 1.562 . . . . 0.0 109.81 178.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.4 tp . . . . . 0 C--O 1.249 1.078 0 C-N-CA 126.836 2.055 . . . . 0.0 111.048 179.97 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.584 0 CA-C-O 117.592 -1.194 . . . . 0.0 107.79 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -61.12 127.16 30.19 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 119.225 0.92 . . . . 0.0 112.044 -178.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.18 -51.87 55.91 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.771 -0.932 . . . . 0.0 110.771 178.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.47 -44.52 69.02 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 118.209 1.004 . . . . 0.0 110.791 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.35 -50.49 71.39 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 119.624 -0.227 . . . . 0.0 110.615 179.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 46.5 mt -57.32 -45.39 84.29 Favored 'General case' 0 N--CA 1.439 -0.986 0 CA-C-N 118.577 0.626 . . . . 0.0 110.036 -179.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.467 ' N ' HD21 ' A' ' 72' ' ' LEU . 2.5 t80 -61.33 -13.2 17.56 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 114.135 1.161 . . . . 0.0 114.135 -177.65 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 61.3 mttm -56.49 -34.03 66.56 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 120.938 -1.101 . . . . 0.0 110.499 177.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.424 ' OG ' HBB1 ' A' ' 80' ' ' HEM . 25.0 p -68.99 -6.64 29.06 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 179.201 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.6 m -109.63 -38.3 5.45 Favored 'General case' 0 CA--C 1.516 -0.346 0 C-N-CA 126.491 1.916 . . . . 0.0 110.818 -174.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.1 mp -45.93 -31.11 1.16 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 C-N-CA 125.187 1.395 . . . . 0.0 111.173 178.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -52.31 -42.85 56.9 Favored Glycine 0 CA--C 1.536 1.358 0 CA-C-N 118.677 0.671 . . . . 0.0 111.916 177.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.2 m -96.59 -46.35 6.36 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 117.736 0.768 . . . . 0.0 109.967 179.043 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.417 ' CE1' HG21 ' A' ' 29' ' ' VAL . 84.0 m-70 -63.81 -25.0 67.98 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.882 0.873 . . . . 0.0 112.872 -177.174 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 70.76 107.52 0.04 OUTLIER Glycine 0 CA--C 1.526 0.747 0 C-N-CA 123.983 0.801 . . . . 0.0 115.056 176.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 58.94 -67.35 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 127.801 2.44 . . . . 0.0 113.442 177.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -157.39 68.54 0.54 Allowed 'General case' 0 N--CA 1.438 -1.028 0 C-N-CA 127.151 2.18 . . . . 0.0 107.289 179.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 56.04 28.16 53.0 Favored Glycine 0 CA--C 1.526 0.765 0 C-N-CA 123.976 0.798 . . . . 0.0 113.938 179.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 89.2 p -76.19 -29.58 57.7 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 118.132 0.966 . . . . 0.0 111.016 -179.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -94.52 132.53 39.1 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 121.126 0.489 . . . . 0.0 110.473 -178.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.44 82.07 1.44 Allowed 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 104.791 -2.3 . . . . 0.0 104.791 175.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -37.35 130.36 0.94 Allowed 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 115.117 1.525 . . . . 0.0 115.117 -175.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 22.2 mmt 14.91 -49.74 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.648 1 C-N-CA 134.554 5.142 . . . . 0.0 118.239 178.252 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.01 -28.5 70.37 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 176.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.0 m 109.86 53.8 0.0 OUTLIER 'General case' 0 N--CA 1.455 -0.175 1 C-N-CA 132.019 4.128 . . . . 0.0 104.224 -177.279 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.22 138.77 37.82 Favored 'General case' 0 N--CA 1.444 -0.755 0 N-CA-C 115.228 1.566 . . . . 0.0 115.228 -175.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.7 mtmm -60.48 117.52 25.42 Favored Pre-proline 0 N--CA 1.449 -0.478 0 N-CA-C 102.16 -3.274 . . . . 0.0 102.16 173.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -32.73 104.34 0.03 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.732 0 C-N-CA 123.97 3.113 . . . . 0.0 113.011 -176.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.417 HG21 ' CE1' ' A' ' 14' ' ' HIS . 95.9 t -54.99 -33.03 27.97 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.732 0 N-CA-C 107.053 -1.462 . . . . 0.0 107.053 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.5 tttp -58.55 80.36 0.01 OUTLIER 'General case' 0 C--N 1.344 0.36 0 C-N-CA 127.497 2.319 . . . . 0.0 111.522 176.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 131.84 -6.33 5.47 Favored Glycine 0 CA--C 1.521 0.447 0 CA-C-N 114.356 -1.293 . . . . 0.0 113.205 177.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -64.45 147.92 51.66 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 119.07 1.435 . . . . 0.0 107.441 178.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -40.07 -101.99 0.01 OUTLIER Glycine 0 CA--C 1.541 1.697 0 N-CA-C 118.983 2.353 . . . . 0.0 118.983 -174.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.444 ' HA ' HD12 ' A' ' 37' ' ' LEU . . . 177.68 -60.83 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 128.539 2.735 . . . . 0.0 105.481 179.108 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -59.92 -38.62 82.87 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 107.14 -1.43 . . . . 0.0 107.14 175.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -56.79 -65.19 0.66 Allowed 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 126.627 1.971 . . . . 0.0 107.936 177.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' A' ' 34' ' ' ALA . 19.5 mt -46.42 -49.31 18.28 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 125.997 1.719 . . . . 0.0 109.954 179.641 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -62.23 -52.94 61.74 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 125.275 1.43 . . . . 0.0 112.532 -179.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.9 mttp -59.19 -41.82 89.41 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-N 118.77 0.714 . . . . 0.0 109.433 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -67.29 -44.72 78.56 Favored 'General case' 0 N--CA 1.438 -1.036 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.991 -178.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 57.2 mtm -64.08 -40.76 96.96 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-O 118.518 -0.753 . . . . 0.0 109.334 177.22 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -58.46 -44.0 89.11 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 177.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.63 -40.59 94.89 Favored Glycine 0 CA--C 1.532 1.142 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 177.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -75.85 -32.96 59.98 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 119.029 1.414 . . . . 0.0 111.265 178.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.14 -50.47 20.24 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 125.417 1.487 . . . . 0.0 108.581 -179.291 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -89.23 -40.11 13.07 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 122.919 0.487 . . . . 0.0 109.73 177.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 116.02 14.64 7.71 Favored Glycine 0 CA--C 1.532 1.148 0 C-N-CA 124.967 1.27 . . . . 0.0 112.71 179.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.2 t -75.0 -23.54 58.25 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 118.417 1.109 . . . . 0.0 110.986 179.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -99.35 152.94 19.39 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 107.133 -1.432 . . . . 0.0 107.133 177.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -127.77 -174.94 13.91 Favored Glycine 0 C--N 1.338 0.647 0 N-CA-C 114.675 0.63 . . . . 0.0 114.675 -177.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 165.12 173.68 33.99 Favored Glycine 0 N--CA 1.427 -1.946 0 C-N-CA 129.019 3.199 . . . . 0.0 108.348 -178.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -57.54 -28.07 63.19 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 124.818 1.247 . . . . 0.0 112.35 -179.256 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 70.5 mmt-85 -128.13 37.52 4.15 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 178.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -53.87 -37.46 63.72 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -178.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.13 -48.47 79.99 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 118.302 0.501 . . . . 0.0 110.674 -179.096 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -61.71 -43.33 99.06 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 179.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 31.5 mmm -58.08 -59.56 5.09 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 109.641 -0.504 . . . . 0.0 109.641 178.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 30.8 m -48.9 -46.6 43.01 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.278 1.031 . . . . 0.0 109.532 176.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -58.81 -42.37 88.99 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 118.886 0.766 . . . . 0.0 110.927 178.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.35 -30.86 65.11 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -179.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 76.1 t -90.73 -43.46 14.4 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 N-CA-C 115.433 1.642 . . . . 0.0 115.433 -174.607 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -51.44 -28.83 14.11 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.366 1.066 . . . . 0.0 113.003 -176.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -64.8 -22.01 66.9 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 178.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -88.64 -168.95 2.36 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-O 123.37 1.557 . . . . 0.0 110.678 -179.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 25.2 m -159.56 160.48 34.51 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 127.473 2.309 . . . . 0.0 107.825 -177.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -27.53 -54.83 0.09 Allowed 'General case' 0 C--O 1.225 -0.187 0 C-N-CA 126.702 2.001 . . . . 0.0 115.234 -177.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.05 -52.94 62.82 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-O 121.395 0.616 . . . . 0.0 110.009 -178.036 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -59.12 -47.58 84.76 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 123.866 0.866 . . . . 0.0 109.869 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 62.5 mt -60.3 -47.29 86.64 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.2 0.6 . . . . 0.0 110.703 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -61.81 -45.61 93.08 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 179.244 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.45 -44.46 97.08 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 -179.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.467 HD21 ' N ' ' A' ' 7' ' ' TYR . 12.6 mt -57.14 -60.32 3.79 Favored 'General case' 0 N--CA 1.442 -0.834 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 178.16 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.62 -46.65 63.7 Favored 'General case' 0 N--CA 1.453 -0.298 0 O-C-N 123.042 0.214 . . . . 0.0 110.978 -178.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -54.43 -41.28 69.17 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 176.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -67.43 -55.88 11.89 Favored 'General case' 0 C--N 1.34 0.171 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 176.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.7 mpp? -50.78 -30.91 15.35 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 119.074 0.852 . . . . 0.0 112.577 178.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.5 t -55.48 -30.75 61.18 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 120.65 -1.281 . . . . 0.0 111.516 177.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 44.3 mttp -103.67 28.81 6.23 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.972 1.309 . . . . 0.0 110.324 -179.226 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 14.4 tp . . . . . 0 C--O 1.25 1.08 0 C-N-CA 124.963 1.305 . . . . 0.0 110.636 -178.327 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' HEM . . . . . 0.424 HBB1 ' OG ' ' A' ' 9' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.649 0 CA-C-O 117.624 -1.179 . . . . 0.0 107.954 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -42.98 114.81 0.65 Allowed 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 125.37 1.468 . . . . 0.0 111.442 -179.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -48.11 -52.01 18.5 Favored Glycine 0 CA--C 1.524 0.598 0 C-N-CA 123.83 0.728 . . . . 0.0 111.474 -179.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.43 -30.59 41.29 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 113.124 0.786 . . . . 0.0 113.124 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -84.11 -16.38 43.87 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 118.417 0.553 . . . . 0.0 110.906 -178.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 78.0 mt -91.53 -49.23 6.42 Favored 'General case' 0 N--CA 1.438 -1.038 0 N-CA-C 106.59 -1.633 . . . . 0.0 106.59 177.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.419 ' HD1' HD22 ' A' ' 72' ' ' LEU . 1.6 t80 -62.08 -17.89 58.96 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 114.387 1.255 . . . . 0.0 114.387 -177.221 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.4 pttm -52.41 -35.36 51.67 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 119.356 0.98 . . . . 0.0 110.407 177.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.67 -10.11 59.41 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.679 1.592 . . . . 0.0 112.962 -178.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.3 m -107.6 -33.68 7.24 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 127.728 2.411 . . . . 0.0 110.144 -177.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -45.92 -30.3 1.04 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 126.096 1.759 . . . . 0.0 110.301 177.591 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -56.13 -44.93 88.61 Favored Glycine 0 CA--C 1.537 1.433 0 O-C-N 121.446 -0.784 . . . . 0.0 111.843 177.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.3 m -90.68 -39.11 12.64 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 117.859 0.83 . . . . 0.0 110.669 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 -83.88 -16.46 44.29 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 115.565 1.691 . . . . 0.0 115.565 -175.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.86 156.05 26.72 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 110.36 -1.096 . . . . 0.0 110.36 -178.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -29.37 -61.94 0.13 Allowed 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 127.429 2.292 . . . . 0.0 114.129 -178.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.8 p-10 -111.31 47.83 0.98 Allowed 'General case' 0 N--CA 1.431 -1.376 0 C-N-CA 127.285 2.234 . . . . 0.0 109.31 -179.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 38.07 31.05 0.09 OUTLIER Glycine 0 CA--C 1.532 1.13 0 C-N-CA 126.863 2.173 . . . . 0.0 115.437 179.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.8 p -82.39 -26.16 33.09 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 127.168 2.187 . . . . 0.0 113.335 -178.079 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.5 ttmm -72.7 130.41 40.46 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 121.245 0.545 . . . . 0.0 110.594 -177.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.43 80.47 1.91 Allowed 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 104.999 -2.223 . . . . 0.0 104.999 175.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -40.3 133.55 1.8 Allowed 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 115.067 1.506 . . . . 0.0 115.067 -175.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.4 mmt 20.31 -75.2 0.0 OUTLIER 'General case' 0 C--N 1.342 0.282 1 C-N-CA 131.781 4.033 . . . . 0.0 115.723 179.089 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -52.73 -36.61 49.61 Favored Glycine 0 CA--C 1.528 0.89 0 N-CA-C 111.611 -0.595 . . . . 0.0 111.611 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 73.6 m 122.18 57.36 0.0 OUTLIER 'General case' 0 CA--C 1.528 0.105 1 C-N-CA 131.933 4.093 . . . . 0.0 106.348 -179.276 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.19 145.94 16.26 Favored 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 114.743 1.386 . . . . 0.0 114.743 -177.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -65.8 115.05 19.0 Favored Pre-proline 0 N--CA 1.447 -0.619 0 N-CA-C 100.395 -3.928 . . . . 0.0 100.395 172.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -34.1 119.64 0.12 Allowed 'Trans proline' 0 N--CA 1.456 -0.716 0 C-N-CA 123.469 2.78 . . . . 0.0 112.416 -175.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.7 t -57.09 -46.13 84.34 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 N-CA-C 105.231 -2.137 . . . . 0.0 105.231 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.1 tttp -51.21 113.78 1.03 Allowed 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 123.844 0.858 . . . . 0.0 110.917 173.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 113.53 -24.24 12.51 Favored Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 109.979 -1.249 . . . . 0.0 109.979 178.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -66.46 142.13 57.67 Favored 'General case' 0 N--CA 1.437 -1.104 0 N-CA-C 106.85 -1.537 . . . . 0.0 106.85 178.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -84.15 148.05 24.01 Favored Glycine 0 CA--C 1.526 0.759 0 CA-C-O 118.953 -0.915 . . . . 0.0 112.655 -176.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.48 -49.26 13.74 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-N 119.329 1.565 . . . . 0.0 112.291 -179.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.9 tp10 -59.9 -41.68 92.17 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 120.869 0.366 . . . . 0.0 110.048 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -60.97 -61.86 2.27 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 125.374 1.47 . . . . 0.0 108.295 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 34.7 mt -48.63 -45.96 39.16 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 126.874 2.07 . . . . 0.0 110.003 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -70.03 -47.49 61.88 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 123.641 0.776 . . . . 0.0 111.891 -178.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -60.21 -42.0 94.24 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 179.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -65.27 -52.3 55.23 Favored 'General case' 0 N--CA 1.436 -1.15 0 C-N-CA 123.517 0.727 . . . . 0.0 110.057 -179.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 43.6 mtm -60.57 -42.63 97.06 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 118.732 -0.651 . . . . 0.0 110.368 178.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.2 ttpm? -56.76 -44.03 81.36 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 178.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -60.85 -48.17 87.61 Favored Glycine 0 CA--C 1.529 0.952 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 176.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -63.85 -33.06 74.83 Favored 'General case' 0 C--N 1.342 0.249 0 CA-C-N 118.947 1.373 . . . . 0.0 110.634 179.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.12 -44.41 71.29 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.907 1.283 . . . . 0.0 107.767 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -88.64 -35.69 16.68 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 119.444 -0.312 . . . . 0.0 110.892 179.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 118.3 -2.56 16.28 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 125.588 1.566 . . . . 0.0 115.138 178.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 59.6 p -67.52 -58.71 4.23 Favored 'General case' 0 N--CA 1.431 -1.417 0 CA-C-N 120.071 1.936 . . . . 0.0 112.522 -178.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -63.74 145.79 55.09 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -128.75 -178.41 15.35 Favored Glycine 0 C--N 1.337 0.61 0 CA-C-O 121.972 0.762 . . . . 0.0 114.78 -177.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 175.05 173.06 40.53 Favored Glycine 0 N--CA 1.423 -2.17 0 C-N-CA 129.437 3.399 . . . . 0.0 108.157 -178.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -45.42 -40.21 7.91 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 127.554 2.341 . . . . 0.0 112.783 -179.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 68.9 mmt-85 -128.38 41.44 3.49 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.125 0.97 . . . . 0.0 109.721 179.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -51.52 -37.86 51.37 Favored 'General case' 0 C--O 1.223 -0.326 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -179.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.95 -49.19 78.67 Favored 'General case' 0 N--CA 1.456 -0.146 0 O-C-N 122.109 -0.369 . . . . 0.0 110.648 -178.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -60.37 -42.69 96.34 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 179.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.0 mmm -58.45 -60.49 3.71 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.765 178.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 31.3 m -47.43 -46.87 26.83 Favored 'General case' 0 C--O 1.224 -0.253 0 C-N-CA 124.337 1.055 . . . . 0.0 109.109 176.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -56.25 -36.58 68.69 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 118.447 0.567 . . . . 0.0 111.432 178.258 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -81.41 -35.18 31.02 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 118.476 0.58 . . . . 0.0 112.33 -178.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 77.1 t -82.72 -49.08 17.37 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 C-N-CA 127.295 2.238 . . . . 0.0 114.729 -176.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -63.69 71.93 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 126.752 2.021 . . . . 0.0 112.027 -176.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -173.46 -37.32 0.01 OUTLIER 'General case' 0 N--CA 1.44 -0.952 0 C-N-CA 128.924 2.89 . . . . 0.0 108.356 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -74.8 142.77 44.21 Favored 'General case' 0 N--CA 1.434 -1.256 0 CA-C-O 122.909 1.337 . . . . 0.0 109.219 179.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 63.4 p -78.39 167.78 20.82 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 112.466 -2.152 . . . . 0.0 108.658 177.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -55.47 -37.72 68.13 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 122.708 0.403 . . . . 0.0 110.21 177.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -65.6 -55.85 15.41 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.714 1.206 . . . . 0.0 109.311 178.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -56.05 -46.53 78.89 Favored 'General case' 0 CA--C 1.531 0.234 0 O-C-N 122.161 -0.337 . . . . 0.0 110.273 179.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 28.2 mt -58.64 -46.77 86.38 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.189 0.595 . . . . 0.0 109.53 178.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -60.63 -43.77 97.12 Favored 'General case' 0 CA--C 1.53 0.188 0 O-C-N 121.961 -0.462 . . . . 0.0 109.978 179.144 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.59 -44.11 97.13 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 -179.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.467 HD23 ' HA ' ' A' ' 72' ' ' LEU . 12.3 mt -59.9 -52.12 66.77 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 178.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.6 -43.14 89.44 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 -179.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -55.02 -51.04 67.52 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 178.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -59.32 -57.07 14.6 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 119.086 -0.483 . . . . 0.0 110.017 179.019 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.47 ' SD ' HMA3 ' A' ' 80' ' ' HEM . 58.9 mtm -49.14 -39.91 30.6 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 118.992 0.815 . . . . 0.0 112.163 177.636 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.9 t -64.24 -8.56 13.04 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 117.938 -1.03 . . . . 0.0 113.254 -179.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -86.39 -13.3 46.75 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 119.523 1.056 . . . . 0.0 110.175 177.045 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.2 mp . . . . . 0 C--O 1.249 1.063 0 CA-C-O 117.657 -1.164 . . . . 0.0 109.297 178.089 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' HEM . . . . . 0.47 HMA3 ' SD ' ' A' ' 76' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.617 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -42.92 120.33 1.75 Allowed 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.062 1.345 . . . . 0.0 112.16 -178.877 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -52.81 -56.01 20.52 Favored Glycine 0 C--N 1.337 0.589 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.502 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -50.16 -46.59 54.27 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 117.457 0.629 . . . . 0.0 111.351 179.758 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.23 -48.56 81.23 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 119.483 -0.294 . . . . 0.0 110.611 -179.341 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.4 mt -61.82 -47.83 83.31 Favored 'General case' 0 N--CA 1.44 -0.959 0 CA-C-N 118.54 0.609 . . . . 0.0 109.379 179.732 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -57.26 -19.4 21.33 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 113.944 1.09 . . . . 0.0 113.944 -177.879 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.6 mtpt -50.33 -41.11 50.76 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 119.663 1.119 . . . . 0.0 110.954 177.878 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.2 p -63.67 -29.45 70.68 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -179.84 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.4 m -85.39 -36.05 20.95 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 126.884 2.073 . . . . 0.0 109.903 -175.821 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -46.83 -32.94 1.97 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 C-N-CA 125.907 1.683 . . . . 0.0 110.692 179.512 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -53.87 -41.08 66.52 Favored Glycine 0 CA--C 1.534 1.276 0 O-C-N 121.911 -0.493 . . . . 0.0 112.139 178.183 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.8 m -96.58 -47.51 5.9 Favored 'General case' 0 N--CA 1.463 0.175 0 C-N-CA 123.663 0.785 . . . . 0.0 110.138 179.476 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 87.5 m-70 -70.4 -13.47 62.15 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 124.503 1.121 . . . . 0.0 114.002 -177.09 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 78.69 165.15 27.84 Favored Glycine 0 N--CA 1.446 -0.691 0 CA-C-O 122.221 0.901 . . . . 0.0 112.279 179.065 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.22 101.84 0.06 Allowed 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 114.158 -1.021 . . . . 0.0 110.812 -179.496 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.9 t70 78.77 37.77 0.15 Allowed 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 127.111 2.164 . . . . 0.0 110.116 176.73 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 60.12 20.48 54.21 Favored Glycine 0 CA--C 1.527 0.813 0 C-N-CA 124.241 0.924 . . . . 0.0 114.529 178.214 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.0 m -71.4 -25.04 62.18 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 -177.569 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 41.5 tttp -90.79 140.87 29.38 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 122.282 1.039 . . . . 0.0 112.224 -177.456 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.81 88.97 1.8 Allowed 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 103.568 -2.753 . . . . 0.0 103.568 173.439 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -42.63 132.84 3.59 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 -175.567 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 26.0 mmt 16.93 -77.66 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 131.19 3.796 . . . . 0.0 115.593 179.423 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -49.08 -35.53 19.09 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 123.6 0.619 . . . . 0.0 111.99 179.784 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 68.6 m 120.15 59.39 0.0 OUTLIER 'General case' 0 N--CA 1.457 -0.098 1 C-N-CA 132.532 4.333 . . . . 0.0 106.895 179.379 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.3 152.22 17.92 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 -178.901 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.1 mtmm -64.88 118.09 45.36 Favored Pre-proline 0 N--CA 1.45 -0.474 0 N-CA-C 100.594 -3.854 . . . . 0.0 100.594 171.514 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -33.48 110.62 0.05 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 123.715 2.943 . . . . 0.0 111.406 -176.805 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 42.5 t -54.51 -39.51 45.72 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 N-CA-C 106.329 -1.73 . . . . 0.0 106.329 -178.376 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.6 tttp -59.62 94.51 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 122.251 1.024 . . . . 0.0 109.534 173.554 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 138.25 -32.4 2.34 Favored Glycine 0 N--CA 1.444 -0.803 0 CA-C-N 113.825 -1.534 . . . . 0.0 112.173 179.044 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . 0.274 0.6 OUTLIER -69.77 148.21 49.46 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 119.589 1.694 . . . . 0.0 110.092 -178.851 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -86.96 150.22 22.81 Favored Glycine 0 CA--C 1.526 0.753 0 C-N-CA 124.559 1.076 . . . . 0.0 115.122 -174.178 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -46.08 -50.66 14.98 Favored 'General case' 0 CA--C 1.515 -0.382 0 C-N-CA 127.303 2.241 . . . . 0.0 112.495 -178.084 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -56.22 -47.82 77.66 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 -179.684 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -59.59 -60.66 3.49 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 124.086 0.954 . . . . 0.0 108.587 179.687 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 15.7 mt -50.97 -42.94 60.38 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 125.324 1.449 . . . . 0.0 112.087 -179.232 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -72.18 -44.13 63.48 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 123.732 0.813 . . . . 0.0 110.637 -178.58 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -61.8 -42.23 98.74 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 -179.517 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -69.85 -44.9 68.94 Favored 'General case' 0 N--CA 1.436 -1.175 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.532 -178.366 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 56.7 mtm -65.36 -40.62 93.81 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 118.929 0.786 . . . . 0.0 109.871 177.389 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -58.84 -39.33 80.93 Favored 'General case' 0 CA--C 1.528 0.115 0 N-CA-C 107.011 -1.477 . . . . 0.0 107.011 176.776 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.78 -64.18 4.6 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 109.057 -1.617 . . . . 0.0 109.057 176.073 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -55.1 -36.06 65.29 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 118.132 0.966 . . . . 0.0 112.127 -179.19 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -48.64 -41.77 32.21 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.813 1.245 . . . . 0.0 109.097 179.376 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -114.04 25.52 11.07 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.575 1.15 . . . . 0.0 111.134 179.538 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 50.95 27.14 12.68 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 125.043 1.306 . . . . 0.0 113.988 -179.836 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 33.9 t -100.7 32.12 3.25 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.684 1.594 . . . . 0.0 111.719 -178.151 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -161.64 159.37 27.41 Favored 'General case' 0 C--O 1.232 0.172 0 N-CA-C 105.931 -1.878 . . . . 0.0 105.931 177.139 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -134.38 -175.1 13.73 Favored Glycine 0 C--N 1.338 0.676 0 CA-C-O 122.221 0.9 . . . . 0.0 115.212 -177.547 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 170.42 174.14 38.23 Favored Glycine 0 N--CA 1.424 -2.112 0 C-N-CA 130.064 3.697 . . . . 0.0 107.062 -178.519 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -46.64 -43.89 17.94 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 125.454 1.502 . . . . 0.0 110.235 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.7 ptm85 -127.58 49.17 2.15 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 121.496 0.665 . . . . 0.0 110.705 179.01 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -45.43 -37.51 5.19 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.22 1.408 . . . . 0.0 111.675 177.475 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.81 -50.68 67.98 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.664 1.186 . . . . 0.0 110.707 -179.124 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -44.0 95.03 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 178.828 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 20.4 mmm -56.42 -58.76 6.64 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.375 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 92.8 m -47.82 -43.66 28.18 Favored 'General case' 0 C--O 1.222 -0.36 0 C-N-CA 125.257 1.423 . . . . 0.0 109.32 176.114 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -63.59 -40.09 96.05 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 119.116 0.871 . . . . 0.0 110.542 179.039 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.8 -33.17 68.34 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.096 0.558 . . . . 0.0 112.014 -179.571 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 73.3 t -87.33 -48.96 15.09 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 C-N-CA 126.674 1.99 . . . . 0.0 114.618 -176.065 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.8 ttpp -68.89 70.12 0.19 Allowed 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 126.25 1.82 . . . . 0.0 111.134 -177.466 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.9 ptmm? -167.16 -30.69 0.02 OUTLIER 'General case' 0 N--CA 1.441 -0.885 0 C-N-CA 130.197 3.399 . . . . 0.0 107.866 179.787 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -76.04 -169.13 1.05 Allowed 'General case' 0 N--CA 1.44 -0.958 0 CA-C-O 123.935 1.826 . . . . 0.0 109.107 176.367 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.9 m -153.02 162.27 41.53 Favored 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 128.232 2.613 . . . . 0.0 106.924 179.274 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -33.09 -52.36 0.34 Allowed 'General case' 0 C--O 1.226 -0.171 0 C-N-CA 125.753 1.621 . . . . 0.0 114.217 -177.724 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -60.39 -50.96 71.53 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-O 120.774 0.321 . . . . 0.0 110.561 -178.023 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.2 mp0 -61.05 -46.26 91.41 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.327 0.651 . . . . 0.0 109.532 178.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 57.1 mt -59.12 -48.81 80.25 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-N 118.185 0.448 . . . . 0.0 110.339 179.806 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 24.4 ttpp -61.45 -41.89 97.91 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 123.621 0.768 . . . . 0.0 109.909 179.56 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.1 -46.21 82.0 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 -179.468 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.8 mt -58.44 -59.23 5.69 Favored 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 178.635 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.38 -39.9 67.64 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 118.763 -0.637 . . . . 0.0 110.318 -178.234 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -57.87 -49.49 76.53 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 177.476 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -59.97 -60.02 4.5 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 178.169 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.3 mpp? -50.1 -35.16 24.43 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.258 -0.901 . . . . 0.0 113.228 178.297 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.2 t -69.76 -20.81 63.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 117.322 -1.323 . . . . 0.0 113.144 -179.927 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -90.61 3.38 54.27 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 119.99 1.268 . . . . 0.0 110.376 178.209 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 84.0 mt . . . . . 0 C--O 1.251 1.16 0 CA-C-O 117.215 -1.374 . . . . 0.0 109.465 177.679 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.619 0 CA-C-O 117.491 -1.242 . . . . 0.0 107.809 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -61.23 128.61 37.25 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 119.258 0.935 . . . . 0.0 112.136 -178.77 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.52 -54.38 37.63 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 179.156 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.91 -45.34 67.52 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 117.769 0.784 . . . . 0.0 110.91 -179.738 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.91 -50.14 74.61 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 110.345 -0.243 . . . . 0.0 110.345 179.94 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 46.9 mt -58.02 -46.52 85.17 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-N 118.37 0.532 . . . . 0.0 109.931 -179.816 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.416 ' N ' HD21 ' A' ' 72' ' ' LEU . 2.1 t80 -60.19 -15.89 28.24 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 114.185 1.18 . . . . 0.0 114.185 -177.868 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.2 mtpt -52.58 -40.58 62.76 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 119.73 1.15 . . . . 0.0 110.872 178.51 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.5 p -63.39 -23.27 67.33 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 113.129 0.789 . . . . 0.0 113.129 179.649 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.6 m -93.01 -36.34 12.78 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 127.105 2.162 . . . . 0.0 110.398 -175.282 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -46.61 -29.52 1.14 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 C-N-CA 125.791 1.636 . . . . 0.0 111.231 179.126 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -55.12 -50.75 57.99 Favored Glycine 0 CA--C 1.536 1.361 0 CA-C-N 118.785 0.72 . . . . 0.0 111.375 177.409 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.0 m -86.97 -45.1 11.1 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 117.604 0.702 . . . . 0.0 110.118 179.911 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 87.5 m-70 -69.42 -20.87 63.78 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 -176.827 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.11 159.79 25.72 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.218 -1.153 . . . . 0.0 110.218 -178.745 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -14.85 -57.65 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 129.216 3.007 . . . . 0.0 113.72 -178.982 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -147.17 65.8 1.15 Allowed 'General case' 0 N--CA 1.439 -1.019 0 C-N-CA 124.398 1.079 . . . . 0.0 108.378 177.193 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 60.58 22.84 59.87 Favored Glycine 0 CA--C 1.525 0.689 0 C-N-CA 123.184 0.421 . . . . 0.0 112.896 178.739 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.3 p -71.2 -32.4 68.79 Favored 'General case' 0 N--CA 1.441 -0.895 0 C-N-CA 125.382 1.473 . . . . 0.0 112.485 -177.718 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.3 mtmm -94.81 136.83 34.65 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 118.542 0.61 . . . . 0.0 110.119 179.722 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.65 86.57 1.21 Allowed 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 104.127 -2.546 . . . . 0.0 104.127 175.195 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -35.93 130.81 0.59 Allowed 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 115.449 1.648 . . . . 0.0 115.449 -174.85 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 11.1 tpt 25.62 -79.43 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 131.168 3.787 . . . . 0.0 115.142 178.578 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.81 -35.79 58.77 Favored Glycine 0 CA--C 1.526 0.759 0 CA-C-O 119.582 -0.566 . . . . 0.0 112.414 -179.347 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 70.4 m 124.63 56.91 0.0 OUTLIER 'General case' 0 CA--C 1.528 0.13 0 C-N-CA 131.301 3.84 . . . . 0.0 106.147 -178.623 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.44 146.21 30.3 Favored 'General case' 0 N--CA 1.443 -0.815 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 -177.295 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.2 mtmt -61.59 116.14 18.91 Favored Pre-proline 0 N--CA 1.448 -0.547 0 N-CA-C 102.275 -3.231 . . . . 0.0 102.275 173.623 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -32.89 105.34 0.04 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 124.065 3.176 . . . . 0.0 113.007 -176.736 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.0 t -56.41 -32.06 34.92 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 N-CA-C 107.386 -1.339 . . . . 0.0 107.386 -179.86 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.3 tttm -58.51 80.9 0.01 OUTLIER 'General case' 0 C--N 1.346 0.432 0 C-N-CA 126.714 2.005 . . . . 0.0 111.718 176.834 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 133.21 -8.17 5.08 Favored Glycine 0 CA--C 1.521 0.466 0 CA-C-N 114.515 -1.221 . . . . 0.0 113.103 178.112 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -63.92 146.85 53.29 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 119.004 1.402 . . . . 0.0 107.348 178.409 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -39.1 -101.95 0.01 OUTLIER Glycine 0 CA--C 1.54 1.65 0 N-CA-C 119.19 2.436 . . . . 0.0 119.19 -173.849 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 176.38 -59.56 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 128.975 2.91 . . . . 0.0 104.888 179.469 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -59.86 -41.86 92.4 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 106.173 -1.788 . . . . 0.0 106.173 175.488 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -52.94 -66.46 0.38 Allowed 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 126.117 1.767 . . . . 0.0 108.965 177.149 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 32.8 mt -45.56 -49.95 13.47 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 113.177 -1.828 . . . . 0.0 110.008 -179.962 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -65.45 -49.98 67.1 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 123.935 0.894 . . . . 0.0 112.611 -179.098 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -60.52 -39.71 88.82 Favored 'General case' 0 N--CA 1.427 -1.596 0 CA-C-N 119.485 1.039 . . . . 0.0 109.514 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -67.89 -48.65 65.45 Favored 'General case' 0 N--CA 1.437 -1.106 0 C-N-CA 122.861 0.464 . . . . 0.0 109.821 -179.319 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 61.3 mtm -62.87 -42.1 99.63 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-O 118.811 -0.614 . . . . 0.0 109.999 177.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -58.43 -42.97 88.51 Favored 'General case' 0 CA--C 1.529 0.147 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 177.496 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -56.56 -52.04 52.74 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 109.305 -1.518 . . . . 0.0 109.305 176.408 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -65.08 -32.3 73.95 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.94 1.37 . . . . 0.0 111.739 179.127 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -48.82 -51.31 30.1 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.827 1.251 . . . . 0.0 109.677 -178.577 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -93.38 -33.47 13.85 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.064 0.546 . . . . 0.0 110.95 178.928 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.96 17.65 6.27 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 125.938 1.733 . . . . 0.0 112.831 179.941 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 33.4 t -90.41 35.06 0.87 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.745 1.218 . . . . 0.0 111.426 -179.761 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -159.99 159.65 32.39 Favored 'General case' 0 C--O 1.232 0.147 0 N-CA-C 106.476 -1.675 . . . . 0.0 106.476 177.176 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -137.96 -173.77 13.09 Favored Glycine 0 C--N 1.336 0.554 0 CA-C-O 121.454 0.475 . . . . 0.0 113.65 -177.846 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 162.12 173.67 31.07 Favored Glycine 0 N--CA 1.425 -2.087 0 C-N-CA 128.291 2.853 . . . . 0.0 108.867 -178.468 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -45.37 -43.49 11.09 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 127.172 2.189 . . . . 0.0 111.783 179.924 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 63.9 mmt-85 -126.87 43.96 3.0 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 122.997 0.519 . . . . 0.0 110.087 -179.811 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.46 -34.78 36.93 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 179.616 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.87 -50.43 66.61 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 123.133 0.573 . . . . 0.0 110.323 -179.714 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 26.4 mmt -59.53 -44.76 93.09 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.054 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 30.1 mmm -58.07 -58.03 10.21 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.318 178.9 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 68.4 m -47.83 -47.44 31.31 Favored 'General case' 0 C--O 1.222 -0.39 0 C-N-CA 124.59 1.156 . . . . 0.0 109.134 177.096 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -60.92 -46.06 92.2 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 118.861 0.755 . . . . 0.0 111.073 178.722 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.95 90.96 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.635 0.774 . . . . 0.0 111.46 -179.629 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 77.1 t -82.07 -31.19 10.24 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 C-N-CA 127.372 2.269 . . . . 0.0 113.468 -176.774 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.71 -36.23 57.11 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 125.212 1.405 . . . . 0.0 111.895 -178.236 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -75.2 -3.0 30.51 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -179.901 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 21.8 m-30 -107.95 -172.31 2.04 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 125.226 1.41 . . . . 0.0 108.936 179.357 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 28.0 m -160.8 159.86 30.47 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 126.812 2.045 . . . . 0.0 107.901 -177.395 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -30.92 -48.55 0.11 Allowed 'General case' 0 C--O 1.225 -0.203 0 C-N-CA 126.646 1.978 . . . . 0.0 115.416 -177.107 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.02 -55.02 37.77 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 119.446 1.021 . . . . 0.0 109.32 179.896 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -56.59 -50.82 70.82 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 124.369 1.068 . . . . 0.0 109.363 179.863 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 74.2 mt -57.33 -46.53 83.16 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.969 0.908 . . . . 0.0 111.374 179.791 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -65.46 -40.28 93.01 Favored 'General case' 0 N--CA 1.452 -0.361 0 O-C-N 121.656 -0.653 . . . . 0.0 109.697 179.565 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.89 -45.5 89.07 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.822 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.416 HD21 ' N ' ' A' ' 7' ' ' TYR . 13.3 mt -56.25 -59.83 4.37 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 177.56 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -50.66 -47.38 58.66 Favored 'General case' 0 N--CA 1.449 -0.51 0 O-C-N 123.447 0.467 . . . . 0.0 110.708 -178.29 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -54.39 -43.45 71.43 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 176.52 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -64.84 -57.71 8.13 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 177.026 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.9 mpp? -51.38 -28.47 12.73 Favored 'General case' 0 CA--C 1.539 0.519 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 178.581 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 17.1 t -55.86 -32.65 63.83 Favored 'General case' 0 CA--C 1.534 0.351 0 O-C-N 120.659 -1.276 . . . . 0.0 111.083 177.351 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 32.1 mmtt -103.62 32.04 4.08 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.579 0.752 . . . . 0.0 110.083 -178.508 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 14.8 tp . . . . . 0 C--O 1.251 1.151 0 C-N-CA 125.505 1.522 . . . . 0.0 110.318 -178.76 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 80' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.709 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -56.92 123.54 15.47 Favored 'General case' 0 N--CA 1.46 0.054 0 CA-C-N 119.398 0.999 . . . . 0.0 113.055 -178.717 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.96 -50.45 67.58 Favored Glycine 0 CA--C 1.528 0.845 0 N-CA-C 110.301 -1.12 . . . . 0.0 110.301 178.042 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.29 -49.85 71.07 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 118.204 1.002 . . . . 0.0 111.591 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.25 -51.39 69.16 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 -179.811 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 74.3 mt -54.21 -48.06 71.45 Favored 'General case' 0 N--CA 1.44 -0.933 0 CA-C-N 118.121 0.419 . . . . 0.0 110.787 -179.825 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.425 ' N ' HD21 ' A' ' 72' ' ' LEU . 3.1 t80 -62.0 -13.99 31.07 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 114.556 1.317 . . . . 0.0 114.556 -177.331 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -58.44 -30.84 67.23 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 120.845 -1.16 . . . . 0.0 110.788 178.468 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.421 ' OG ' HBB1 ' A' ' 80' ' ' HEM . 26.2 p -70.9 -6.2 36.52 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 112.759 0.651 . . . . 0.0 112.759 178.677 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.3 m -109.55 -37.32 5.73 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 126.624 1.97 . . . . 0.0 110.688 -174.684 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.1 mp -43.05 -35.91 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 C-N-CA 125.775 1.63 . . . . 0.0 110.173 177.442 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -50.1 -43.93 41.89 Favored Glycine 0 CA--C 1.536 1.366 0 O-C-N 121.693 -0.629 . . . . 0.0 112.714 178.171 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.6 m -96.05 -43.92 7.56 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 117.796 0.798 . . . . 0.0 110.421 179.463 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -72.13 -6.65 44.12 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.11 0.964 . . . . 0.0 113.526 -177.585 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 63.9 -158.21 41.37 Favored Glycine 0 N--CA 1.445 -0.742 0 N-CA-C 111.481 -0.648 . . . . 0.0 111.481 178.61 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.24 96.12 0.1 Allowed 'General case' 0 N--CA 1.445 -0.69 0 CA-C-O 121.899 0.857 . . . . 0.0 111.092 -179.307 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 48.22 61.27 3.1 Favored 'General case' 0 N--CA 1.436 -1.141 0 C-N-CA 127.156 2.182 . . . . 0.0 111.144 175.847 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.96 5.69 41.18 Favored Glycine 0 CA--C 1.525 0.663 0 CA-C-O 118.183 -1.343 . . . . 0.0 115.389 177.18 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 52.2 m -68.15 -27.12 66.15 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 119.549 1.675 . . . . 0.0 111.231 179.508 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -88.51 127.87 35.54 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 118.878 0.763 . . . . 0.0 109.584 -179.693 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.55 85.88 0.87 Allowed 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 105.411 -2.07 . . . . 0.0 105.411 176.086 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -36.81 126.71 0.89 Allowed 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 125.384 1.474 . . . . 0.0 114.859 -175.69 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 24.7 mmt 22.27 -76.28 0.0 OUTLIER 'General case' 0 C--N 1.342 0.275 0 C-N-CA 131.665 3.986 . . . . 0.0 115.391 178.863 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -52.95 -33.34 43.64 Favored Glycine 0 CA--C 1.529 0.919 0 C-N-CA 123.305 0.479 . . . . 0.0 112.086 179.504 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 70.5 m 119.95 56.86 0.0 OUTLIER 'General case' 0 C--O 1.23 0.076 1 C-N-CA 131.718 4.007 . . . . 0.0 107.158 179.717 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.58 146.4 30.44 Favored 'General case' 0 N--CA 1.445 -0.698 0 N-CA-C 114.641 1.349 . . . . 0.0 114.641 -178.292 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.7 mtmm -60.43 127.58 86.78 Favored Pre-proline 0 CA--C 1.538 0.514 0 N-CA-C 102.817 -3.031 . . . . 0.0 102.817 172.872 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_exo -41.95 100.94 0.04 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 123.95 3.1 . . . . 0.0 112.62 -177.967 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.425 HG11 ' OH ' ' A' ' 7' ' ' TYR . 12.3 t -52.3 -33.82 17.65 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 123.075 0.55 . . . . 0.0 109.726 -177.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.7 tttm -42.47 81.07 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 127.543 2.337 . . . . 0.0 116.072 176.534 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.55 14.79 57.94 Favored Glycine 0 N--CA 1.439 -1.131 0 CA-C-O 117.318 -1.823 . . . . 0.0 112.945 175.73 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . 0.325 7.0 pt20 -75.64 95.2 3.33 Favored 'General case' 0 C--N 1.349 0.571 0 CA-C-N 120.289 2.044 . . . . 0.0 110.014 179.9 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 50.36 -148.57 6.9 Favored Glycine 0 CA--C 1.542 1.722 0 C-N-CA 128.866 3.127 . . . . 0.0 110.831 -173.557 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -148.72 -61.56 0.24 Allowed 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 102.316 -3.216 . . . . 0.0 102.316 175.057 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 47.0 tt0 -56.53 -34.97 67.55 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 174.464 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -55.59 -70.53 0.11 Allowed 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 107.632 -1.247 . . . . 0.0 107.632 177.662 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.4 HD23 HMA3 ' A' ' 80' ' ' HEM . 0.9 OUTLIER -53.26 -37.49 62.18 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -178.831 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -65.61 -43.44 89.61 Favored 'General case' 0 N--CA 1.452 -0.364 0 O-C-N 121.922 -0.486 . . . . 0.0 110.656 -179.256 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.7 ttmm -69.51 -41.3 76.21 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 -178.856 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -63.41 -47.72 80.77 Favored 'General case' 0 N--CA 1.438 -1.054 0 C-N-CA 123.625 0.77 . . . . 0.0 109.125 -179.951 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 64.4 mtm -65.66 -39.37 91.31 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-O 117.59 -1.195 . . . . 0.0 109.577 178.068 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 58.1 tttp -58.31 -42.91 87.72 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 106.843 -1.539 . . . . 0.0 106.843 176.231 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -53.33 -58.21 12.77 Favored Glycine 0 CA--C 1.528 0.858 0 N-CA-C 109.796 -1.322 . . . . 0.0 109.796 176.934 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -60.89 -44.86 96.52 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 118.522 1.161 . . . . 0.0 111.167 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.95 -48.15 52.17 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 125.934 1.694 . . . . 0.0 108.896 179.686 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -90.86 13.1 17.36 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.702 1.201 . . . . 0.0 112.398 -179.24 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 51.42 35.69 36.52 Favored Glycine 0 CA--C 1.533 1.177 0 C-N-CA 124.545 1.069 . . . . 0.0 113.274 -179.861 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.6 t -120.87 31.8 6.25 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.904 1.682 . . . . 0.0 112.258 -178.121 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -158.64 160.96 37.08 Favored 'General case' 0 C--O 1.231 0.102 0 N-CA-C 107.147 -1.427 . . . . 0.0 107.147 178.041 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -140.8 -169.12 11.63 Favored Glycine 0 C--N 1.338 0.639 0 CA-C-O 121.895 0.72 . . . . 0.0 113.78 -178.063 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 159.05 177.18 31.89 Favored Glycine 0 N--CA 1.426 -2.022 0 C-N-CA 129.126 3.25 . . . . 0.0 108.72 -178.136 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -56.14 -27.89 55.88 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 125.874 1.669 . . . . 0.0 112.629 -178.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 83.6 mmt-85 -128.95 34.62 4.43 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.314 0.646 . . . . 0.0 109.934 177.945 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -47.42 -41.36 20.01 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 124.492 1.117 . . . . 0.0 112.815 179.557 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.18 -49.47 69.67 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.22 0.608 . . . . 0.0 110.642 -178.586 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 25.4 mmt -60.61 -42.91 97.76 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 179.095 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 37.6 mmm -57.98 -61.53 2.48 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 116.015 -0.538 . . . . 0.0 109.631 178.742 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 88.6 m -48.05 -45.47 32.29 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.209 1.004 . . . . 0.0 109.672 177.312 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -61.66 -40.42 94.86 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 121.695 -0.628 . . . . 0.0 111.531 179.159 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.72 -32.73 64.03 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.793 -0.567 . . . . 0.0 111.808 -179.769 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 67.4 t -85.0 -40.86 15.32 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 C-N-CA 125.893 1.677 . . . . 0.0 114.306 -176.072 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 56.9 pttt -52.48 -30.72 31.38 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 -176.626 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.2 pttm -72.63 -10.97 60.43 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.39 0.541 . . . . 0.0 112.194 -179.419 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -97.11 -169.9 1.94 Allowed 'General case' 0 N--CA 1.441 -0.922 0 CA-C-O 123.263 1.506 . . . . 0.0 109.11 178.721 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.3 m -153.42 161.32 42.41 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 127.064 2.145 . . . . 0.0 108.33 -179.44 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -29.43 -53.01 0.13 Allowed 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 126.792 2.037 . . . . 0.0 114.827 -177.728 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -60.91 -51.2 70.31 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 120.964 0.411 . . . . 0.0 110.268 -178.546 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.4 mp0 -58.87 -45.15 90.87 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 178.507 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 47.9 mt -58.12 -50.15 74.47 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 118.493 0.588 . . . . 0.0 110.676 179.036 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -59.46 -45.74 90.78 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 122.894 0.478 . . . . 0.0 110.402 -179.578 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.99 -43.57 95.32 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 -179.125 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.463 HD23 ' HA ' ' A' ' 72' ' ' LEU . 11.3 mt -57.95 -60.46 3.69 Favored 'General case' 0 N--CA 1.44 -0.952 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 178.473 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.18 -46.36 62.09 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 118.143 0.429 . . . . 0.0 111.195 -177.717 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -52.23 -47.73 65.53 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 176.67 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -62.37 -53.76 50.27 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 177.424 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.1 mpp? -49.5 -38.06 28.88 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 119.471 1.032 . . . . 0.0 112.382 178.492 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.3 t -60.12 -27.99 67.5 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 121.449 -0.782 . . . . 0.0 112.191 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -103.55 19.76 19.18 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.853 0.861 . . . . 0.0 111.827 -177.828 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 86.5 mt . . . . . 0 C--O 1.249 1.078 0 CA-C-O 117.692 -1.147 . . . . 0.0 110.524 177.522 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 80' ' ' HEM . . . . . 0.421 HBB1 ' OG ' ' A' ' 9' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.72 0 CA-C-O 117.539 -1.22 . . . . 0.0 107.979 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -63.04 121.65 14.11 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 119.08 0.855 . . . . 0.0 112.504 -178.331 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -54.87 -42.87 80.98 Favored Glycine 0 CA--C 1.527 0.824 0 N-CA-C 110.626 -0.99 . . . . 0.0 110.626 177.691 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.6 -23.87 67.27 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 118.395 1.097 . . . . 0.0 112.18 -179.907 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -85.97 -47.66 9.4 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 108.123 -1.065 . . . . 0.0 108.123 179.548 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 38.3 mt -58.31 -43.29 88.1 Favored 'General case' 0 N--CA 1.442 -0.865 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -179.441 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.501 ' HD1' HD22 ' A' ' 72' ' ' LEU . 2.0 t80 -64.76 -11.06 32.43 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 114.01 1.115 . . . . 0.0 114.01 -178.304 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -54.68 -37.33 65.64 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 120.012 1.278 . . . . 0.0 110.332 178.211 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.1 p -63.47 -23.0 67.21 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 179.227 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.1 m -98.29 -34.44 10.69 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 127.034 2.133 . . . . 0.0 111.462 -175.025 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.3 tp -46.39 -35.45 2.48 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 125.596 1.558 . . . . 0.0 111.322 -179.224 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -56.22 -36.68 69.6 Favored Glycine 0 CA--C 1.532 1.134 0 CA-C-O 119.451 -0.638 . . . . 0.0 112.856 179.081 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.8 t -95.19 -41.88 8.85 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-N 118.19 0.995 . . . . 0.0 111.732 -179.024 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.416 ' CE1' HG21 ' A' ' 29' ' ' VAL . 62.5 m-70 -79.52 -31.18 42.09 Favored 'General case' 0 N--CA 1.435 -1.218 0 C-N-CA 126.78 2.032 . . . . 0.0 116.058 -175.675 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 96.61 157.52 31.3 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 109.333 -1.507 . . . . 0.0 109.333 -177.169 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.22 -37.48 35.64 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 124.588 1.155 . . . . 0.0 112.8 -179.418 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 57.4 p30 -100.56 10.91 40.54 Favored 'General case' 0 N--CA 1.434 -1.23 0 C-N-CA 128.046 2.538 . . . . 0.0 112.334 -178.293 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.59 ' HA3' HD21 ' A' ' 79' ' ' LEU . . . 44.59 31.51 2.53 Favored Glycine 0 CA--C 1.529 0.968 0 C-N-CA 125.029 1.3 . . . . 0.0 113.434 -177.094 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.0 m -118.64 -6.04 10.68 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.819 0.847 . . . . 0.0 111.266 -179.914 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -83.41 67.06 9.17 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 106.472 -1.677 . . . . 0.0 106.472 178.661 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -12.31 93.12 0.01 OUTLIER 'General case' 0 C--N 1.342 0.246 0 C-N-CA 129.097 2.959 . . . . 0.0 113.248 -177.902 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.44 133.24 10.04 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 124.291 1.037 . . . . 0.0 111.817 -178.719 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 11.2 ptm -10.83 -51.33 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 131.148 3.779 . . . . 0.0 117.242 -176.754 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -53.26 -42.55 63.56 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 110.4 -1.08 . . . . 0.0 110.4 178.379 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 69.4 p 128.47 54.91 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.249 1 C-N-CA 134.014 4.926 . . . . 0.0 107.165 178.589 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.3 121.06 10.46 Favored 'General case' 0 C--N 1.348 0.506 0 C-N-CA 118.045 -1.462 . . . . 0.0 114.203 -176.656 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.49 120.48 48.98 Favored Pre-proline 0 N--CA 1.449 -0.51 0 N-CA-C 101.696 -3.446 . . . . 0.0 101.696 173.767 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -26.59 110.03 0.03 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.741 0 C-N-CA 124.938 3.759 . . . . 0.0 112.831 -175.089 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.416 HG21 ' CE1' ' A' ' 14' ' ' HIS . 73.7 t -59.67 -35.22 58.45 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 N-CA-C 107.382 -1.34 . . . . 0.0 107.382 -178.695 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.603 ' HA ' HD23 ' A' ' 79' ' ' LEU . 63.1 tttp -41.37 102.77 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 125.328 1.451 . . . . 0.0 114.55 177.39 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 64.58 40.56 97.69 Favored Glycine 0 N--CA 1.44 -1.043 0 CA-C-N 112.689 -2.05 . . . . 0.0 110.166 177.118 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -60.65 -36.14 77.94 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 107.347 -1.353 . . . . 0.0 107.347 179.608 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 132.16 121.11 2.22 Favored Glycine 0 C--O 1.217 -0.934 0 C-N-CA 128.0 2.714 . . . . 0.0 108.583 176.442 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.76 -46.04 10.3 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 121.091 2.446 . . . . 0.0 112.816 -177.64 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -63.22 -40.84 98.61 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 179.435 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -60.88 -64.12 1.06 Allowed 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 125.866 1.667 . . . . 0.0 107.952 179.253 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 33.3 mt -46.1 -50.83 14.9 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 127.091 2.156 . . . . 0.0 109.514 179.29 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -65.16 -51.65 59.87 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 123.388 0.675 . . . . 0.0 112.201 -179.8 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -57.22 -39.42 75.43 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 -178.885 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -70.95 -44.7 65.53 Favored 'General case' 0 N--CA 1.436 -1.135 0 C-N-CA 123.082 0.553 . . . . 0.0 110.195 -178.839 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 2.0 mtm -62.19 -44.3 96.91 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 118.8 0.727 . . . . 0.0 109.594 177.486 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -58.09 -45.74 86.67 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 107.044 -1.465 . . . . 0.0 107.044 177.864 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -53.41 -54.57 29.16 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 110.244 -1.142 . . . . 0.0 110.244 177.025 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -62.72 -43.12 99.64 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 118.628 1.214 . . . . 0.0 110.595 179.684 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.31 -50.31 59.61 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 125.643 1.577 . . . . 0.0 108.855 -179.837 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -90.53 11.21 22.54 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.455 1.102 . . . . 0.0 112.177 -179.299 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 51.08 31.92 26.88 Favored Glycine 0 CA--C 1.535 1.323 0 C-N-CA 124.326 0.965 . . . . 0.0 113.582 -179.22 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.8 t -114.94 33.48 5.38 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 125.966 1.706 . . . . 0.0 111.593 -178.439 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -164.66 163.3 21.67 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 106.19 -1.782 . . . . 0.0 106.19 179.262 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -151.04 -176.9 24.36 Favored Glycine 0 N--CA 1.447 -0.593 0 CA-C-O 122.129 0.85 . . . . 0.0 114.339 -179.192 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -176.47 176.18 47.75 Favored Glycine 0 N--CA 1.424 -2.137 1 C-N-CA 131.708 4.48 . . . . 0.0 106.637 -178.673 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -55.06 -25.29 29.82 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 124.766 1.226 . . . . 0.0 112.854 -178.435 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.87 38.96 3.35 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.478 0.711 . . . . 0.0 110.563 178.889 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.17 -36.54 30.75 Favored 'General case' 0 C--N 1.34 0.183 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 -179.246 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.47 -51.8 67.9 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 122.658 0.383 . . . . 0.0 110.886 -178.552 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 61.9 mtt -61.09 -40.56 94.19 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 179.215 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 21.8 mmm -57.21 -60.9 2.93 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 178.966 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 45.1 m -51.51 -44.67 62.62 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.544 0.738 . . . . 0.0 109.498 177.256 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.14 -36.58 70.89 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.021 0.528 . . . . 0.0 110.667 179.341 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.89 -59.51 2.75 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 122.251 1.024 . . . . 0.0 108.658 178.763 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 72.5 t -49.72 -40.62 15.82 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 C-N-CA 126.926 2.09 . . . . 0.0 113.767 -176.651 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -57.04 -21.42 31.09 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 119.6 1.091 . . . . 0.0 113.088 -179.099 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 47.9 tttp -64.79 -30.78 71.8 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.645 0.657 . . . . 0.0 111.397 178.545 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -91.79 -177.22 4.69 Favored 'General case' 0 N--CA 1.436 -1.137 0 C-N-CA 125.488 1.515 . . . . 0.0 111.202 -175.937 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.6 t -136.82 169.14 18.25 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 128.023 2.529 . . . . 0.0 108.371 179.465 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -43.28 -49.68 6.71 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 125.632 1.573 . . . . 0.0 113.275 -176.944 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.45 -53.22 60.61 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 -179.13 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -57.07 -43.5 82.13 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 123.27 0.628 . . . . 0.0 109.614 179.187 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.7 mt -60.45 -49.52 77.26 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 118.981 0.81 . . . . 0.0 109.714 178.728 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -57.51 -46.21 84.06 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 121.951 -0.468 . . . . 0.0 109.784 179.421 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.09 -44.58 95.32 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 -179.744 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.501 HD22 ' HD1' ' A' ' 7' ' ' TYR . 15.0 mt -59.52 -48.25 82.37 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.432 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.95 -41.74 96.89 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 -179.552 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -55.59 -49.0 73.93 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 177.565 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -58.78 -61.32 2.71 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 178.379 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.402 ' SD ' ' CE1' ' A' ' 7' ' ' TYR . 68.6 mtm -49.78 -32.77 14.67 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 178.204 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.6 t -71.18 -30.8 66.87 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-O 118.442 -0.789 . . . . 0.0 111.248 -179.626 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 44.8 pttt -107.83 26.7 10.01 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.6 0.76 . . . . 0.0 109.996 179.044 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.603 HD23 ' HA ' ' A' ' 30' ' ' LYS . 39.4 tp . . . . . 0 C--O 1.252 1.218 0 C-N-CA 125.804 1.641 . . . . 0.0 110.435 179.295 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 80' ' ' HEM . . . . . 0.589 HMC2 HBC2 ' A' ' 80' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.708 0 CA-C-O 118.789 -0.624 . . . . 0.0 109.718 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -47.55 117.55 1.86 Allowed 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 125.997 1.719 . . . . 0.0 112.527 -178.472 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -49.48 -49.13 33.47 Favored Glycine 0 CA--C 1.527 0.808 0 N-CA-C 111.335 -0.706 . . . . 0.0 111.335 179.154 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.3 -25.63 15.55 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 112.891 0.701 . . . . 0.0 112.891 179.548 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -89.86 -22.17 22.18 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 118.908 0.776 . . . . 0.0 110.72 -179.58 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 67.6 mt -85.5 -34.88 21.47 Favored 'General case' 0 N--CA 1.435 -1.179 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 179.808 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.43 ' CD1' HD22 ' A' ' 72' ' ' LEU . 1.1 t80 -76.31 -8.22 56.62 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 115.932 1.827 . . . . 0.0 115.932 -177.887 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.3 mtmm -52.18 -45.8 65.27 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.056 -1.027 . . . . 0.0 112.377 -178.405 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.3 m -68.5 -6.81 27.26 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 -179.407 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 10.4 m -100.81 -37.36 8.73 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 126.672 1.989 . . . . 0.0 109.959 -177.228 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -47.32 -30.16 1.71 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 C-N-CA 125.198 1.399 . . . . 0.0 109.717 177.011 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -49.61 -47.09 37.83 Favored Glycine 0 CA--C 1.536 1.389 0 C-N-CA 123.939 0.781 . . . . 0.0 112.823 177.64 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.5 m -91.25 -45.65 8.51 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 118.666 1.233 . . . . 0.0 110.157 179.594 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 69.3 m-70 -70.33 -16.91 63.05 Favored 'General case' 0 N--CA 1.431 -1.412 0 C-N-CA 126.195 1.798 . . . . 0.0 115.684 -175.565 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.37 154.74 23.38 Favored Glycine 0 CA--C 1.528 0.867 0 N-CA-C 109.356 -1.498 . . . . 0.0 109.356 -178.112 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -34.93 -59.71 0.48 Allowed 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 126.139 1.776 . . . . 0.0 113.184 -178.339 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.1 p-10 -102.69 38.23 1.76 Allowed 'General case' 0 N--CA 1.438 -1.066 0 C-N-CA 125.861 1.665 . . . . 0.0 111.512 -179.429 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 47.48 30.22 6.02 Favored Glycine 0 CA--C 1.532 1.115 0 C-N-CA 124.904 1.24 . . . . 0.0 114.984 178.149 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.1 p -89.88 -29.71 18.37 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 126.728 2.011 . . . . 0.0 113.702 -176.216 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.88 131.92 41.98 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 -177.838 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.7 80.75 0.85 Allowed 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 179.905 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -37.94 133.07 0.9 Allowed 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 126.5 1.92 . . . . 0.0 115.255 -176.991 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 38.7 tpp 21.85 -82.23 0.0 OUTLIER 'General case' 0 C--N 1.345 0.376 0 C-N-CA 129.938 3.295 . . . . 0.0 113.107 179.468 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.0 46.26 2.08 Favored Glycine 0 CA--C 1.53 1.026 0 CA-C-O 119.644 -0.531 . . . . 0.0 112.141 179.133 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.9 m 47.16 53.39 10.77 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 126.852 2.061 . . . . 0.0 111.097 178.716 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.31 138.6 56.29 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 114.446 1.276 . . . . 0.0 114.446 -177.898 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.9 pttm -63.1 114.09 11.48 Favored Pre-proline 0 CA--C 1.542 0.638 0 N-CA-C 102.377 -3.194 . . . . 0.0 102.377 172.344 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -32.13 119.56 0.09 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.525 0 C-N-CA 124.568 3.512 . . . . 0.0 114.061 -175.374 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.436 HG23 HD21 ' A' ' 79' ' ' LEU . 28.9 m -66.17 -18.22 23.68 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.733 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 179.163 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 43.5 tptt -54.19 85.36 0.0 OUTLIER 'General case' 0 C--N 1.346 0.43 0 C-N-CA 126.856 2.062 . . . . 0.0 112.018 175.908 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 112.48 2.98 25.84 Favored Glycine 0 C--N 1.318 -0.438 0 CA-C-N 114.258 -1.337 . . . . 0.0 113.521 177.01 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -63.92 147.02 52.97 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 105.382 -2.081 . . . . 0.0 105.382 176.271 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -76.06 141.11 26.65 Favored Glycine 0 CA--C 1.529 0.913 0 O-C-N 120.674 -1.267 . . . . 0.0 114.097 -175.065 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -46.06 -48.43 16.93 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 119.797 1.798 . . . . 0.0 112.378 179.821 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.5 tm-20 -59.64 -44.1 93.62 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 -179.93 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -59.09 -63.3 1.35 Allowed 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 125.355 1.462 . . . . 0.0 107.846 179.694 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 49.1 mt -45.86 -49.62 15.21 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 126.925 2.09 . . . . 0.0 109.681 -179.87 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -66.54 -50.05 64.43 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 123.014 0.526 . . . . 0.0 112.323 -179.482 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -59.37 -40.71 87.38 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 121.525 0.679 . . . . 0.0 109.82 -178.918 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -69.97 -50.74 38.73 Favored 'General case' 0 N--CA 1.439 -1.017 0 C-N-CA 123.113 0.565 . . . . 0.0 110.174 -178.307 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 60.5 mtm -61.81 -37.08 83.07 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 118.481 -0.771 . . . . 0.0 109.638 178.574 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -58.33 -47.56 83.36 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 177.698 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.01 -45.52 92.28 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.313 -0.715 . . . . 0.0 111.313 177.458 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -66.54 -33.14 75.02 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 118.302 1.051 . . . . 0.0 109.905 177.669 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.22 -49.4 69.87 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 124.348 1.059 . . . . 0.0 109.518 -179.017 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.5 p30 -88.12 -15.94 34.8 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -177.528 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.98 5.4 62.58 Favored Glycine 0 CA--C 1.531 1.036 0 C-N-CA 124.029 0.823 . . . . 0.0 113.346 179.181 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.0 t -76.27 -8.76 57.77 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 118.722 1.261 . . . . 0.0 111.097 178.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -138.6 153.1 48.64 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 105.55 -2.019 . . . . 0.0 105.55 177.873 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 158.79 -172.44 35.61 Favored Glycine 0 C--N 1.334 0.439 0 N-CA-C 108.023 -2.031 . . . . 0.0 108.023 -178.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 172.48 179.02 43.03 Favored Glycine 0 N--CA 1.423 -2.178 0 C-N-CA 128.442 2.925 . . . . 0.0 106.597 179.159 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -57.27 -52.14 66.53 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.322 0.582 . . . . 0.0 109.637 -179.826 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 43.5 mtm105 -59.58 -38.22 80.59 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 123.811 0.844 . . . . 0.0 109.717 -179.662 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.53 20.83 6.85 Favored 'General case' 0 N--CA 1.426 -1.665 0 C-N-CA 125.087 1.355 . . . . 0.0 112.221 -178.615 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.54 -51.07 60.55 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 177.596 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 26.3 mmt -56.23 -47.81 77.73 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 177.61 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.458 ' HE1' ' C1B' ' A' ' 80' ' ' HEM . 35.7 mmm -50.99 -60.59 2.93 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.819 0.847 . . . . 0.0 110.509 178.579 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 33.1 m -52.65 -51.98 57.74 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 122.715 0.406 . . . . 0.0 109.915 -179.562 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -58.03 -33.4 68.93 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 111.655 0.243 . . . . 0.0 111.655 179.578 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -80.19 -60.55 2.29 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 -177.53 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.2 m -59.43 -30.19 43.81 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.104 0 CA-C-O 118.435 -0.793 . . . . 0.0 112.708 -169.993 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.55 -16.42 6.0 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 119.336 0.971 . . . . 0.0 112.575 179.947 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -65.1 -24.22 67.37 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 119.182 0.901 . . . . 0.0 110.491 176.403 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -98.19 144.63 27.44 Favored 'General case' 0 N--CA 1.432 -1.338 0 C-N-CA 126.955 2.102 . . . . 0.0 108.049 -179.596 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 58.1 p -90.82 169.45 10.93 Favored 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 127.43 2.292 . . . . 0.0 108.558 177.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -49.39 -44.02 44.74 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.817 0.735 . . . . 0.0 112.783 -179.294 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -60.62 -53.5 56.68 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 118.574 0.625 . . . . 0.0 109.799 179.408 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -55.64 -48.31 75.19 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.983 0.913 . . . . 0.0 109.843 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 66.1 mt -60.74 -46.06 91.89 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 124.367 1.067 . . . . 0.0 110.59 179.088 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.4 tptp -61.97 -42.77 99.5 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 179.184 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.23 -45.86 91.44 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.949 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.464 ' HA ' HD23 ' A' ' 72' ' ' LEU . 9.9 mt -54.86 -54.34 43.65 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 177.61 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.69 -45.84 88.59 Favored 'General case' 0 N--CA 1.452 -0.347 0 O-C-N 123.154 0.284 . . . . 0.0 110.511 -178.266 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -54.73 -49.23 71.28 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.213 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -59.87 -60.78 3.29 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 178.123 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 62.1 mtm -49.59 -35.87 22.22 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -179.743 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.6 t -56.7 -28.0 60.06 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.471 -0.768 . . . . 0.0 110.238 179.62 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -123.22 52.02 1.41 Allowed 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 105.197 -2.149 . . . . 0.0 105.197 175.12 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.436 HD21 HG23 ' A' ' 29' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.229 0 C-N-CA 127.05 2.14 . . . . 0.0 111.583 -178.374 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 80' ' ' HEM . . . . . 0.458 ' C1B' ' HE1' ' A' ' 57' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.655 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -46.95 112.37 0.51 Allowed 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 125.044 1.338 . . . . 0.0 112.16 -178.821 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -51.8 -49.37 47.97 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.661 -0.975 . . . . 0.0 110.661 179.618 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.76 -27.27 59.2 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 121.735 -0.862 . . . . 0.0 112.797 179.499 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.85 -48.66 10.52 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 179.715 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 79.3 mt -56.75 -41.86 78.3 Favored 'General case' 0 N--CA 1.442 -0.825 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 179.928 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.49 ' N ' HD21 ' A' ' 72' ' ' LEU . 2.0 t80 -67.94 -8.82 40.14 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 114.746 1.387 . . . . 0.0 114.746 -178.056 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 61.7 mtpt -50.03 -46.56 53.09 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 119.7 1.136 . . . . 0.0 111.954 -179.793 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.3 m -78.09 23.9 0.26 Allowed 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 113.547 0.943 . . . . 0.0 113.547 -178.178 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.1 m -128.36 -33.91 2.1 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 125.743 1.617 . . . . 0.0 109.335 -177.51 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.8 mm -44.85 -38.5 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.478 0 C-N-CA 126.219 1.808 . . . . 0.0 110.355 177.736 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -47.73 -37.8 14.8 Favored Glycine 0 CA--C 1.533 1.215 0 CA-C-O 119.42 -0.656 . . . . 0.0 113.131 178.846 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.0 m -105.19 -43.51 5.0 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 117.96 0.88 . . . . 0.0 111.524 179.867 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.496 ' CE1' HG21 ' A' ' 29' ' ' VAL . 93.3 m-70 -80.7 -29.47 36.47 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 115.024 1.49 . . . . 0.0 115.024 -175.635 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 89.08 151.78 24.74 Favored Glycine 0 CA--C 1.527 0.83 0 N-CA-C 109.732 -1.347 . . . . 0.0 109.732 -177.511 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.97 -26.11 24.13 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.465 1.106 . . . . 0.0 113.084 -178.939 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.0 p-10 -115.65 16.37 16.45 Favored 'General case' 0 N--CA 1.432 -1.35 0 C-N-CA 129.663 3.185 . . . . 0.0 112.331 -177.454 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.416 ' HA3' ' CD2' ' A' ' 79' ' ' LEU . . . 51.74 24.28 12.46 Favored Glycine 0 C--N 1.339 0.71 0 N-CA-C 116.633 1.413 . . . . 0.0 116.633 177.104 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 72.0 p -93.8 -19.18 21.27 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 118.156 0.978 . . . . 0.0 111.789 -178.56 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.7 mptt -75.54 116.38 16.2 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 106.617 -1.623 . . . . 0.0 106.617 -178.736 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.51 80.91 0.57 Allowed 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 -179.485 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -33.68 123.96 0.44 Allowed 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 126.381 1.872 . . . . 0.0 114.289 -176.71 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 22.4 mmt 13.48 -71.43 0.0 OUTLIER 'General case' 0 C--N 1.346 0.435 0 C-N-CA 131.246 3.818 . . . . 0.0 113.674 -179.35 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.38 44.08 1.62 Allowed Glycine 0 CA--C 1.534 1.28 0 CA-C-N 118.694 0.679 . . . . 0.0 111.53 176.963 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 27.9 m 46.34 51.43 11.52 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 127.382 2.273 . . . . 0.0 112.283 178.897 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.2 129.82 43.75 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 117.987 -1.485 . . . . 0.0 111.685 179.639 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -57.9 135.19 83.52 Favored Pre-proline 0 CA--C 1.542 0.66 0 N-CA-C 103.632 -2.729 . . . . 0.0 103.632 173.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_endo -39.6 106.56 0.06 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 124.067 3.178 . . . . 0.0 113.09 -174.099 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.496 HG21 ' CE1' ' A' ' 14' ' ' HIS . 52.9 t -55.96 -23.86 16.2 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 C-N-CA 123.863 0.865 . . . . 0.0 110.131 -179.188 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -43.95 90.97 0.0 OUTLIER 'General case' 0 C--N 1.341 0.214 0 CA-C-O 123.39 1.566 . . . . 0.0 113.525 175.404 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 71.75 48.33 28.76 Favored Glycine 0 N--CA 1.443 -0.868 0 CA-C-N 112.062 -2.335 . . . . 0.0 110.24 179.083 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.407 ' HB2' HD21 ' A' ' 37' ' ' LEU . 0.8 OUTLIER -53.78 -36.24 62.19 Favored 'General case' 0 CA--C 1.554 1.103 0 N-CA-C 107.357 -1.349 . . . . 0.0 107.357 179.36 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.18 -110.58 0.32 Allowed Glycine 0 CA--C 1.534 1.275 0 C-N-CA 129.653 3.502 . . . . 0.0 107.669 172.879 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -179.98 -63.76 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 130.349 3.46 . . . . 0.0 102.515 176.15 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 -62.06 -40.1 94.63 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 105.038 -2.208 . . . . 0.0 105.038 172.777 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -53.98 -66.38 0.41 Allowed 'General case' 0 C--N 1.342 0.28 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 176.817 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.407 HD21 ' HB2' ' A' ' 32' ' ' GLN . 8.9 mt -48.83 -42.16 35.29 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 124.921 1.288 . . . . 0.0 111.873 -179.376 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -71.94 -41.22 68.07 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 123.425 0.69 . . . . 0.0 111.566 -178.77 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -66.24 -41.18 90.37 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 -179.544 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 63.3 mmtt -64.53 -51.95 60.23 Favored 'General case' 0 N--CA 1.437 -1.116 0 C-N-CA 124.14 0.976 . . . . 0.0 108.515 -179.715 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 49.4 mtm -62.35 -38.2 88.6 Favored 'General case' 0 C--O 1.214 -0.801 0 CA-C-O 117.784 -1.103 . . . . 0.0 110.319 178.153 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -60.01 -46.39 89.65 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 120.935 1.698 . . . . 0.0 107.583 178.014 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -55.23 -42.59 82.72 Favored Glycine 0 CA--C 1.528 0.884 0 N-CA-C 111.784 -0.526 . . . . 0.0 111.784 177.437 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -74.85 -31.31 61.61 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 117.783 0.792 . . . . 0.0 110.145 177.413 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.56 -45.72 88.36 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 106.66 -1.607 . . . . 0.0 106.66 179.278 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -79.39 -39.39 32.62 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 177.074 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.21 -4.48 22.0 Favored Glycine 0 CA--C 1.53 0.994 0 C-N-CA 125.257 1.408 . . . . 0.0 114.128 177.219 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 27.0 t -72.86 -32.37 65.38 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 118.674 1.237 . . . . 0.0 111.94 -178.517 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -73.91 149.19 41.62 Favored 'General case' 0 C--N 1.342 0.268 0 CA-C-N 120.239 1.381 . . . . 0.0 108.4 179.627 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -120.82 -174.02 14.94 Favored Glycine 0 C--N 1.337 0.585 0 C-N-CA 123.575 0.607 . . . . 0.0 114.113 -177.932 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 157.21 175.0 27.64 Favored Glycine 0 N--CA 1.425 -2.053 0 C-N-CA 128.281 2.848 . . . . 0.0 108.531 -177.804 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -61.91 -28.54 69.6 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 125.671 1.588 . . . . 0.0 112.424 -179.2 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 88.0 mmt-85 -127.4 32.03 5.1 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 123.912 0.885 . . . . 0.0 109.624 178.543 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.78 -31.41 58.74 Favored 'General case' 0 N--CA 1.438 -1.027 0 C-N-CA 123.218 0.607 . . . . 0.0 112.434 -178.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.99 -54.2 29.19 Favored 'General case' 0 N--CA 1.456 -0.139 0 CA-C-N 118.259 0.481 . . . . 0.0 109.961 -179.468 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.528 ' HG2' HBC2 ' A' ' 80' ' ' HEM . 17.0 tpt -56.95 -47.08 81.52 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 178.711 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 41.3 mmm -54.6 -61.44 2.31 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.704 179.056 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 52.4 m -47.5 -47.87 27.41 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 124.613 1.165 . . . . 0.0 109.969 177.961 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.6 -42.81 97.51 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 118.527 0.603 . . . . 0.0 110.921 179.678 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.27 -31.92 66.19 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.373 0.669 . . . . 0.0 112.669 -178.651 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 79.5 t -87.75 -47.52 15.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 126.169 1.787 . . . . 0.0 114.295 -175.533 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -52.16 -30.1 25.2 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.164 0.986 . . . . 0.0 112.39 -177.505 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.0 ptpp? -70.5 -14.69 62.62 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 118.914 -0.565 . . . . 0.0 112.516 179.288 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -102.41 156.73 17.4 Favored 'General case' 0 N--CA 1.437 -1.09 0 C-N-CA 124.998 1.319 . . . . 0.0 108.755 179.839 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 86.0 p -96.8 162.13 13.56 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 127.207 2.203 . . . . 0.0 109.645 179.519 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -49.44 -40.19 35.84 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 122.921 0.488 . . . . 0.0 112.093 179.885 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -60.65 -54.83 40.6 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 178.945 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -56.64 -48.13 78.22 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.445 0.698 . . . . 0.0 110.067 179.348 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 77.7 mt -58.86 -47.31 85.35 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.816 0.846 . . . . 0.0 110.509 179.346 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -63.32 -38.24 90.39 Favored 'General case' 0 N--CA 1.453 -0.302 0 O-C-N 121.395 -0.815 . . . . 0.0 109.93 179.727 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.41 -44.83 81.92 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 179.035 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.49 HD21 ' N ' ' A' ' 7' ' ' TYR . 9.9 mt -56.44 -50.08 72.71 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 177.815 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.08 -50.51 73.22 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 123.112 0.565 . . . . 0.0 109.86 -179.672 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -52.01 -44.55 64.19 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 176.861 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -63.5 -58.81 5.83 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 178.208 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 56.3 mtm -47.84 -31.24 4.78 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 176.66 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.6 t -59.62 -37.35 78.4 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.205 -0.934 . . . . 0.0 110.749 178.693 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -105.56 33.09 3.89 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.61 1.164 . . . . 0.0 110.415 -179.632 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.416 ' CD2' ' HA3' ' A' ' 18' ' ' GLY . 40.5 tp . . . . . 0 C--O 1.249 1.054 0 C-N-CA 125.261 1.424 . . . . 0.0 110.787 179.463 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 80' ' ' HEM . . . . . 0.528 HBC2 ' HG2' ' A' ' 56' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.731 0 CA-C-O 117.754 -1.117 . . . . 0.0 108.063 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -58.02 117.98 4.92 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 119.353 0.978 . . . . 0.0 111.714 -179.074 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -55.06 -43.04 83.16 Favored Glycine 0 CA--C 1.528 0.845 0 N-CA-C 110.383 -1.087 . . . . 0.0 110.383 177.894 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.0 -21.36 66.09 Favored 'General case' 0 N--CA 1.455 -0.191 0 O-C-N 121.788 -0.831 . . . . 0.0 112.374 179.519 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.16 -47.81 8.18 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 107.583 -1.266 . . . . 0.0 107.583 178.342 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 58.4 mt -57.71 -44.48 85.96 Favored 'General case' 0 N--CA 1.441 -0.925 0 CA-C-O 119.289 -0.386 . . . . 0.0 110.233 -179.325 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.413 ' N ' HD21 ' A' ' 72' ' ' LEU . 1.8 t80 -71.53 -8.94 57.13 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 115.568 1.692 . . . . 0.0 115.568 -177.447 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.51 -37.21 72.62 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 119.995 1.271 . . . . 0.0 111.531 -178.47 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.9 m -70.82 -10.58 59.83 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 121.484 -0.76 . . . . 0.0 112.789 179.269 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.5 m -99.47 -34.13 10.39 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 126.607 1.963 . . . . 0.0 110.165 -178.161 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.2 tp -46.52 -30.32 1.25 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 C-N-CA 126.151 1.78 . . . . 0.0 110.773 179.001 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -57.87 -46.69 92.11 Favored Glycine 0 CA--C 1.535 1.324 0 O-C-N 121.514 -0.742 . . . . 0.0 111.514 177.72 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.2 m -83.64 -44.13 14.87 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 117.72 0.76 . . . . 0.0 110.251 -179.758 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -79.67 -12.25 59.82 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 115.057 1.503 . . . . 0.0 115.057 -176.167 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.48 157.6 32.57 Favored Glycine 0 CA--C 1.524 0.637 0 O-C-N 120.904 -1.122 . . . . 0.0 110.996 -179.764 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -32.82 -58.99 0.35 Allowed 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 127.037 2.135 . . . . 0.0 113.658 -178.459 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -110.97 33.96 4.3 Favored 'General case' 0 N--CA 1.444 -0.731 0 C-N-CA 125.801 1.641 . . . . 0.0 111.226 -179.647 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 58.77 28.89 63.69 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 121.63 -0.669 . . . . 0.0 112.953 179.642 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.9 p -91.18 -26.58 18.99 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 126.155 1.782 . . . . 0.0 113.204 -177.462 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.05 128.9 37.17 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 -178.663 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.9 84.61 1.24 Allowed 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 105.917 -1.882 . . . . 0.0 105.917 176.824 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -41.72 128.83 3.35 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 124.974 1.309 . . . . 0.0 114.334 -175.374 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 88.8 mmm 22.66 -76.72 0.0 OUTLIER 'General case' 0 C--N 1.342 0.281 0 C-N-CA 131.483 3.913 . . . . 0.0 115.552 178.821 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -53.68 -34.58 50.52 Favored Glycine 0 CA--C 1.528 0.874 0 N-CA-C 111.766 -0.534 . . . . 0.0 111.766 179.564 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 68.1 m 120.12 57.61 0.0 OUTLIER 'General case' 0 N--CA 1.456 -0.15 1 C-N-CA 132.033 4.133 . . . . 0.0 107.354 179.639 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.29 136.85 53.11 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 119.422 -0.911 . . . . 0.0 112.444 -179.723 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.9 pttp -59.28 139.03 88.54 Favored Pre-proline 0 CA--C 1.545 0.772 0 N-CA-C 103.386 -2.82 . . . . 0.0 103.386 172.005 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_endo -46.37 109.38 0.2 Allowed 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 122.985 2.457 . . . . 0.0 113.575 -174.399 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.6 t -55.61 -26.31 19.58 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 C-N-CA 123.964 0.906 . . . . 0.0 109.05 179.414 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.4 tptt -49.55 88.02 0.0 OUTLIER 'General case' 0 C--N 1.343 0.316 0 C-N-CA 126.455 1.902 . . . . 0.0 112.292 176.854 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 76.18 43.72 20.22 Favored Glycine 0 N--CA 1.444 -0.811 0 CA-C-N 112.636 -2.074 . . . . 0.0 110.403 179.296 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -54.06 -35.02 61.57 Favored 'General case' 0 CA--C 1.551 0.986 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 178.516 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 163.21 -129.21 1.98 Allowed Glycine 0 CA--C 1.531 1.078 1 C-N-CA 130.864 4.078 . . . . 0.0 104.469 176.725 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -155.75 -61.6 0.11 Allowed 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 102.406 -3.183 . . . . 0.0 102.406 173.497 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -56.85 -35.74 69.22 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 106.716 -1.586 . . . . 0.0 106.716 173.746 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.7 tp10 -54.65 -73.53 0.05 OUTLIER 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 125.427 1.491 . . . . 0.0 107.873 177.838 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.463 HD23 HMA3 ' A' ' 80' ' ' HEM . 1.1 mp -51.76 -38.4 55.28 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.216 -177.746 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -66.62 -42.24 87.12 Favored 'General case' 0 N--CA 1.447 -0.625 0 CA-C-N 118.127 0.421 . . . . 0.0 110.972 179.63 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -67.82 -41.98 82.19 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 -179.343 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.7 mmtp -65.85 -44.68 84.76 Favored 'General case' 0 N--CA 1.436 -1.174 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 -179.14 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 61.4 mtm -67.18 -37.52 83.85 Favored 'General case' 0 C--O 1.218 -0.569 0 CA-C-O 118.246 -0.883 . . . . 0.0 109.711 177.804 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -58.54 -42.88 88.83 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 106.734 -1.58 . . . . 0.0 106.734 176.704 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.39 -56.42 25.18 Favored Glycine 0 CA--C 1.532 1.104 0 N-CA-C 110.275 -1.13 . . . . 0.0 110.275 176.648 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -61.71 -33.33 73.82 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.869 1.334 . . . . 0.0 112.156 -179.686 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.24 -52.7 42.23 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 124.889 1.275 . . . . 0.0 109.36 -178.838 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.25 -40.04 17.07 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 178.757 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 119.06 26.19 2.56 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 126.218 1.866 . . . . 0.0 112.316 -179.791 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.3 t -100.15 35.51 2.06 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.892 1.277 . . . . 0.0 111.485 -179.672 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -158.75 159.49 35.26 Favored 'General case' 0 C--O 1.231 0.092 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 177.349 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -141.15 -168.09 11.33 Favored Glycine 0 C--N 1.336 0.562 0 CA-C-O 122.117 0.843 . . . . 0.0 113.881 -178.073 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 157.55 179.18 32.26 Favored Glycine 0 N--CA 1.423 -2.218 0 C-N-CA 130.29 3.805 . . . . 0.0 107.09 -177.19 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -53.61 -49.64 67.37 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 124.343 1.057 . . . . 0.0 111.484 179.231 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.9 mmp_? -104.32 28.22 7.09 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.047 0.939 . . . . 0.0 111.414 -178.444 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -46.89 -38.99 11.3 Favored 'General case' 0 N--CA 1.441 -0.886 0 C-N-CA 125.141 1.376 . . . . 0.0 113.8 -179.529 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.4 -50.5 63.23 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 123.482 0.713 . . . . 0.0 110.392 -178.532 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -59.51 -44.29 93.16 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 107.329 -1.36 . . . . 0.0 107.329 178.757 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 33.6 mmm -56.32 -62.82 1.46 Allowed 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.409 178.595 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 53.0 m -44.82 -51.39 9.54 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 125.419 1.487 . . . . 0.0 109.675 177.47 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -58.88 -45.32 90.47 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 122.081 -0.387 . . . . 0.0 111.564 179.793 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.7 -26.44 62.5 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -178.247 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 56.3 t -89.37 -49.41 13.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 C-N-CA 125.623 1.569 . . . . 0.0 113.135 -177.264 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 25.7 tttp -49.73 -29.04 6.91 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.386 1.475 . . . . 0.0 112.96 -177.429 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.0 -25.23 66.99 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 179.309 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -88.82 165.48 14.64 Favored 'General case' 0 N--CA 1.436 -1.159 0 CA-C-O 123.605 1.669 . . . . 0.0 110.989 -178.756 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 89.8 p -100.83 161.43 13.6 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 128.208 2.603 . . . . 0.0 108.548 178.614 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -52.34 -41.66 63.22 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 111.902 0.334 . . . . 0.0 111.902 -179.199 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -59.4 -53.84 53.61 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.346 0.658 . . . . 0.0 109.352 178.877 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -56.8 -46.06 81.8 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 122.897 0.479 . . . . 0.0 109.834 179.073 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 47.9 mt -58.14 -48.52 80.0 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.361 0.664 . . . . 0.0 110.565 178.992 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.4 ttpp -60.9 -47.26 87.19 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.327 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.92 -43.69 94.74 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 -178.832 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.413 HD21 ' N ' ' A' ' 7' ' ' TYR . 11.1 mt -56.92 -60.24 3.86 Favored 'General case' 0 N--CA 1.441 -0.918 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 177.877 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -50.01 -48.22 52.61 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 118.211 0.46 . . . . 0.0 111.223 -178.568 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -52.17 -46.83 65.67 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 108.739 -0.838 . . . . 0.0 108.739 177.297 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -63.96 -53.89 43.15 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-O 118.38 -0.819 . . . . 0.0 109.22 177.466 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.5 mpp? -48.89 -32.85 9.61 Favored 'General case' 0 C--N 1.346 0.419 0 CA-C-N 119.637 1.108 . . . . 0.0 112.659 178.415 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.5 t -55.52 -32.7 63.13 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.805 -0.559 . . . . 0.0 111.819 178.66 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.1 ttpp -141.44 67.82 1.34 Allowed 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 123.945 0.898 . . . . 0.0 108.728 179.174 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.251 1.169 0 CA-C-O 117.225 -1.369 . . . . 0.0 111.793 178.47 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 80' ' ' HEM . . . . . 0.463 HMA3 HD23 ' A' ' 37' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.704 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -58.5 145.19 39.84 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 107.232 -1.395 . . . . 0.0 107.232 176.772 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.8 73.06 0.97 Allowed Glycine 0 N--CA 1.439 -1.155 1 N-CA-C 100.713 -4.955 . . . . 0.0 100.713 -170.281 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 131.2 -50.88 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.4 1 C-N-CA 131.971 4.109 . . . . 0.0 106.476 -174.827 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.25 -26.12 60.99 Favored 'General case' 0 C--N 1.345 0.401 0 C-N-CA 119.493 -0.883 . . . . 0.0 111.13 -178.026 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.426 ' C ' HD21 ' A' ' 72' ' ' LEU . 17.5 mt -81.12 -34.31 32.62 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 118.8 0.727 . . . . 0.0 110.081 -179.925 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.485 ' N ' HD21 ' A' ' 72' ' ' LEU . 1.9 t80 -75.34 -10.87 59.85 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 115.177 1.547 . . . . 0.0 115.177 -177.766 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -49.21 -43.18 42.17 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.378 -0.826 . . . . 0.0 112.745 -179.217 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.4 m -74.68 -5.29 42.35 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 113.542 0.941 . . . . 0.0 113.542 -177.852 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.7 m -101.28 -36.88 8.74 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 126.767 2.027 . . . . 0.0 109.595 -177.26 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -46.3 -31.72 1.44 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 C-N-CA 125.659 1.584 . . . . 0.0 109.516 176.889 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -52.1 -44.31 56.79 Favored Glycine 0 CA--C 1.537 1.408 0 CA-C-O 119.387 -0.674 . . . . 0.0 112.546 177.655 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.6 m -96.48 -44.92 6.97 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 118.344 1.072 . . . . 0.0 110.526 179.547 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.409 ' HB3' ' HA2' ' A' ' 18' ' ' GLY . 95.4 m-70 -74.86 -17.39 60.6 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 114.193 1.183 . . . . 0.0 114.193 -175.726 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.13 159.78 34.28 Favored Glycine 0 CA--C 1.529 0.917 0 N-CA-C 110.518 -1.033 . . . . 0.0 110.518 -179.302 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -32.89 -58.45 0.36 Allowed 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 127.027 2.131 . . . . 0.0 113.873 -178.311 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.9 p-10 -110.73 43.57 1.4 Allowed 'General case' 0 N--CA 1.437 -1.113 0 C-N-CA 127.27 2.228 . . . . 0.0 109.59 -179.151 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.409 ' HA2' ' HB3' ' A' ' 14' ' ' HIS . . . 37.67 29.89 0.05 OUTLIER Glycine 0 CA--C 1.535 1.299 0 C-N-CA 127.177 2.322 . . . . 0.0 115.622 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.1 p -79.36 -31.35 42.91 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 126.442 1.897 . . . . 0.0 113.305 -178.454 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -71.65 129.9 39.84 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 121.734 0.778 . . . . 0.0 110.094 -178.457 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.52 83.79 0.42 Allowed 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 106.04 -1.837 . . . . 0.0 106.04 176.158 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -43.25 140.35 1.59 Allowed 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 126.264 1.826 . . . . 0.0 115.679 -176.859 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 11.1 tpt 29.49 -89.63 0.0 OUTLIER 'General case' 0 C--N 1.339 0.137 0 C-N-CA 129.066 2.946 . . . . 0.0 113.574 178.573 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.61 42.38 1.75 Allowed Glycine 0 CA--C 1.528 0.902 0 CA-C-N 118.708 0.685 . . . . 0.0 112.361 -179.757 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.9 m 51.65 57.95 6.01 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 125.295 1.438 . . . . 0.0 109.774 -178.868 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.38 151.65 9.73 Favored 'General case' 0 N--CA 1.442 -0.858 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 -178.545 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm -56.01 124.75 60.61 Favored Pre-proline 0 CA--C 1.537 0.462 0 N-CA-C 102.722 -3.066 . . . . 0.0 102.722 172.445 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_endo -47.75 115.66 1.54 Allowed 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 121.946 1.764 . . . . 0.0 110.158 -176.707 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 71.8 t -59.6 -40.87 83.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 N-CA-C 107.173 -1.417 . . . . 0.0 107.173 -178.228 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.4 tmtm? -58.09 101.66 0.08 Allowed 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 121.784 0.802 . . . . 0.0 109.679 172.33 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 122.47 -17.75 8.33 Favored Glycine 0 N--CA 1.45 -0.411 0 CA-C-N 113.759 -1.564 . . . . 0.0 111.625 178.786 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -66.13 142.7 57.67 Favored 'General case' 0 N--CA 1.44 -0.953 0 N-CA-C 106.481 -1.674 . . . . 0.0 106.481 178.216 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -82.46 141.96 21.64 Favored Glycine 0 CA--C 1.525 0.715 0 CA-C-O 119.061 -0.855 . . . . 0.0 112.741 -176.076 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -43.94 -55.55 4.53 Favored 'General case' 0 CA--C 1.518 -0.287 0 C-N-CA 126.354 1.862 . . . . 0.0 111.403 -179.113 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -53.85 -48.78 69.64 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 -179.453 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -58.88 -54.94 41.46 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 123.654 0.781 . . . . 0.0 109.861 -179.312 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 24.5 mt -51.6 -48.71 63.11 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 125.152 1.381 . . . . 0.0 110.22 179.693 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.79 -53.26 58.32 Favored 'General case' 0 C--O 1.223 -0.309 0 C-N-CA 124.235 1.014 . . . . 0.0 110.177 -179.397 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -54.31 -53.07 58.79 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 124.979 1.312 . . . . 0.0 109.926 -178.265 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -58.47 -49.76 76.16 Favored 'General case' 0 N--CA 1.435 -1.179 0 C-N-CA 125.471 1.508 . . . . 0.0 109.505 179.188 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 56.7 mtm -61.72 -38.39 87.72 Favored 'General case' 0 C--O 1.219 -0.528 0 CA-C-O 118.307 -0.854 . . . . 0.0 110.364 178.281 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.1 tptp -60.01 -42.32 94.06 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 107.328 -1.36 . . . . 0.0 107.328 178.55 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -56.36 -55.09 31.38 Favored Glycine 0 CA--C 1.527 0.837 0 N-CA-C 110.592 -1.003 . . . . 0.0 110.592 177.086 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.425 ' CE1' ' CD2' ' A' ' 49' ' ' TYR . 19.8 m-85 -61.31 -45.73 93.24 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 118.419 1.109 . . . . 0.0 109.998 179.759 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.08 -45.47 61.45 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 125.88 1.672 . . . . 0.0 109.566 179.658 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -89.91 3.53 52.77 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.518 0.727 . . . . 0.0 112.288 -178.331 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 60.1 27.87 65.62 Favored Glycine 0 CA--C 1.535 1.286 0 CA-C-N 119.123 0.874 . . . . 0.0 111.548 -177.888 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.7 t -107.25 20.04 19.51 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.724 1.61 . . . . 0.0 111.006 -179.509 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.425 ' CD2' ' CE1' ' A' ' 44' ' ' TYR . 7.8 t80 -163.85 151.45 12.56 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 103.859 -2.645 . . . . 0.0 103.859 179.196 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 160.6 -173.27 37.12 Favored Glycine 0 CA--C 1.522 0.503 0 CA-C-N 119.227 0.921 . . . . 0.0 111.577 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 169.62 -177.78 42.97 Favored Glycine 0 N--CA 1.424 -2.142 0 C-N-CA 130.454 3.883 . . . . 0.0 106.239 -179.543 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -52.91 -57.58 9.79 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 123.668 0.787 . . . . 0.0 111.237 -178.303 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.2 -43.47 98.75 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-O 121.453 0.644 . . . . 0.0 109.792 -177.584 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.88 -7.79 9.16 Favored 'General case' 0 N--CA 1.425 -1.722 0 C-N-CA 124.652 1.181 . . . . 0.0 113.097 -179.275 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.87 -43.41 94.71 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 120.321 1.419 . . . . 0.0 108.29 176.941 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 65.0 mtt -60.64 -46.79 88.97 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 178.492 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 43.3 mmm -54.85 -58.73 6.42 Favored 'General case' 0 C--O 1.223 -0.303 0 C-N-CA 123.182 0.593 . . . . 0.0 109.85 178.402 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 41.2 m -46.09 -48.25 17.1 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 125.079 1.352 . . . . 0.0 109.534 177.744 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.53 -42.74 99.72 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 118.082 0.401 . . . . 0.0 110.65 178.831 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.75 -27.57 66.03 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.42 1.088 . . . . 0.0 112.604 -179.498 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 60.3 t -92.54 -42.98 13.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 125.947 1.699 . . . . 0.0 113.737 -175.967 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 55.0 mttm -55.37 -27.6 48.48 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 119.61 1.095 . . . . 0.0 113.056 -178.144 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.6 ptpp? -69.73 -13.48 62.31 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 178.104 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -103.17 -173.89 2.42 Favored 'General case' 0 N--CA 1.441 -0.892 0 C-N-CA 125.936 1.694 . . . . 0.0 107.995 178.728 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 28.9 t -156.44 166.31 33.78 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 126.205 1.802 . . . . 0.0 107.749 -178.565 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -29.43 -52.82 0.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 127.313 2.245 . . . . 0.0 114.701 -176.549 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -62.17 -52.02 65.48 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 121.603 0.716 . . . . 0.0 110.88 -178.65 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 33.9 mp0 -63.47 -43.44 97.3 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 123.679 0.792 . . . . 0.0 109.371 -179.777 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 87.5 mt -59.88 -46.6 88.8 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.137 0.575 . . . . 0.0 109.685 179.083 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.6 ttpp -58.41 -49.75 76.16 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 177.755 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.87 -45.73 82.3 Favored 'General case' 0 C--N 1.341 0.2 0 C-N-CA 123.431 0.693 . . . . 0.0 109.587 -179.866 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.485 HD21 ' N ' ' A' ' 7' ' ' TYR . 16.4 mt -61.49 -49.4 76.93 Favored 'General case' 0 N--CA 1.443 -0.818 0 O-C-N 121.964 -0.46 . . . . 0.0 111.416 179.542 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.22 -41.68 93.57 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 -179.653 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -56.43 -45.92 80.52 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 177.408 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -60.69 -61.44 2.58 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 178.112 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.4 ' SD ' ' CE1' ' A' ' 7' ' ' TYR . 56.0 mtm -48.7 -41.95 33.36 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 178.97 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.1 t -65.32 -13.42 58.45 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 117.629 -1.177 . . . . 0.0 113.174 -178.649 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 37.4 mtmm -90.75 -3.71 57.24 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 119.729 1.149 . . . . 0.0 111.017 177.67 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.9 mp . . . . . 0 C--O 1.252 1.207 0 CA-C-O 117.202 -1.38 . . . . 0.0 109.236 176.875 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 80' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.7 0 CA-C-O 118.183 -0.913 . . . . 0.0 109.073 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -57.59 128.09 35.31 Favored 'General case' 0 C--O 1.226 -0.175 0 C-N-CA 123.552 0.741 . . . . 0.0 111.452 -179.007 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -51.28 -39.38 43.0 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 109.061 -1.615 . . . . 0.0 109.061 176.177 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.405 ' HB2' ' CE1' ' A' ' 75' ' ' TYR . . . -55.8 -22.5 24.97 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 117.577 -1.202 . . . . 0.0 113.376 179.244 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -95.2 -14.92 23.66 Favored 'General case' 0 C--N 1.345 0.408 0 CA-C-N 120.613 1.551 . . . . 0.0 109.946 -178.146 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.43 -40.62 11.93 Favored 'General case' 0 N--CA 1.428 -1.559 0 C-N-CA 125.117 1.367 . . . . 0.0 107.613 -178.342 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -67.84 -12.99 61.76 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 -179.765 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -49.95 -47.06 52.77 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 119.723 1.147 . . . . 0.0 112.833 -179.629 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.0 p -65.25 -24.07 67.23 Favored 'General case' 0 CA--C 1.533 0.31 0 O-C-N 121.546 -0.721 . . . . 0.0 112.662 -179.586 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.2 m -85.22 -37.82 19.65 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 126.68 1.992 . . . . 0.0 109.702 -176.26 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -45.97 -31.43 1.24 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 C-N-CA 126.463 1.905 . . . . 0.0 110.736 179.32 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -58.02 -42.45 94.97 Favored Glycine 0 CA--C 1.535 1.34 0 O-C-N 121.114 -0.991 . . . . 0.0 112.292 178.163 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.5 t -93.11 -44.72 8.23 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 123.831 0.852 . . . . 0.0 110.044 -179.392 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 -73.96 -9.31 58.51 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.435 1.094 . . . . 0.0 112.937 -178.951 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 71.85 179.67 32.92 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 111.423 -0.671 . . . . 0.0 111.423 179.75 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.35 99.24 0.04 OUTLIER 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 114.426 -0.887 . . . . 0.0 110.122 179.944 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.401 ' HB3' HD22 ' A' ' 79' ' ' LEU . 54.4 m-20 59.56 62.56 1.72 Allowed 'General case' 0 N--CA 1.437 -1.102 0 C-N-CA 126.609 1.964 . . . . 0.0 110.695 175.873 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 57.5 19.14 32.91 Favored Glycine 0 C--N 1.339 0.699 0 C-N-CA 125.925 1.726 . . . . 0.0 116.724 176.327 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.7 m -80.43 -26.77 38.22 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 118.431 1.115 . . . . 0.0 113.712 -178.471 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -91.37 135.99 33.42 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-N 119.272 0.942 . . . . 0.0 110.377 -178.098 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.5 80.67 2.53 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.835 179.937 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.608 ' HB1' ' CHD' ' A' ' 80' ' ' HEM . . . -26.28 118.46 0.07 Allowed 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 128.135 2.574 . . . . 0.0 112.886 179.031 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 20.8 mmt 14.54 -71.38 0.0 OUTLIER 'General case' 0 C--N 1.349 0.562 0 C-N-CA 131.022 3.729 . . . . 0.0 114.503 -178.165 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.08 41.3 1.08 Allowed Glycine 0 CA--C 1.533 1.157 0 CA-C-N 118.892 0.769 . . . . 0.0 111.949 177.706 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 31.2 m 49.63 52.72 14.02 Favored 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 127.099 2.16 . . . . 0.0 111.416 179.467 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.402 ' HB2' ' HB3' ' A' ' 22' ' ' ALA . . . -56.65 135.88 54.91 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 117.778 -1.569 . . . . 0.0 112.231 179.436 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -59.94 118.09 29.3 Favored Pre-proline 0 C--O 1.236 0.344 0 N-CA-C 101.819 -3.4 . . . . 0.0 101.819 173.527 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_exo -31.55 118.29 0.07 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.812 0 C-N-CA 124.123 3.215 . . . . 0.0 112.702 -174.783 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.2 t -59.71 -33.29 51.64 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 N-CA-C 106.171 -1.788 . . . . 0.0 106.171 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 43.8 tttp -61.08 99.92 0.11 Allowed 'General case' 0 N--CA 1.448 -0.549 0 CA-C-O 121.68 0.753 . . . . 0.0 109.899 173.995 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 123.84 -16.26 7.83 Favored Glycine 0 CA--C 1.522 0.491 0 CA-C-N 114.008 -1.451 . . . . 0.0 111.601 178.945 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -67.57 149.04 50.64 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 178.763 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -85.63 146.18 21.4 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 121.208 -0.933 . . . . 0.0 114.516 -175.808 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -49.1 -49.46 41.68 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 118.933 1.366 . . . . 0.0 111.955 -179.347 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -55.9 -48.24 76.01 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 179.734 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -56.37 -64.5 0.84 Allowed 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 124.741 1.216 . . . . 0.0 108.13 179.071 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.3 mt -49.36 -43.38 43.92 Favored 'General case' 0 N--CA 1.444 -0.73 0 C-N-CA 125.736 1.614 . . . . 0.0 112.171 -178.848 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -71.99 -42.11 66.84 Favored 'General case' 0 N--CA 1.445 -0.688 0 O-C-N 121.844 -0.535 . . . . 0.0 110.413 -178.608 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.7 tttp -62.64 -41.28 98.95 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 179.771 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.0 mmtp -67.81 -49.03 64.53 Favored 'General case' 0 N--CA 1.434 -1.228 0 C-N-CA 123.082 0.553 . . . . 0.0 110.231 -178.421 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 69.2 mtm -65.53 -37.29 86.31 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.721 179.44 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -59.47 -45.68 90.96 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 105.971 -1.863 . . . . 0.0 105.971 176.251 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -53.6 -56.63 19.17 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 110.646 -0.982 . . . . 0.0 110.646 177.339 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -62.12 -46.17 90.24 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 118.852 1.326 . . . . 0.0 110.672 -179.614 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.02 -46.05 52.54 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.995 1.318 . . . . 0.0 109.299 179.244 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -92.13 10.3 29.89 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.45 1.1 . . . . 0.0 112.628 -179.259 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 52.6 36.2 47.43 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 124.55 1.072 . . . . 0.0 113.32 -179.796 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 21.9 t -123.21 33.93 5.25 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.74 1.616 . . . . 0.0 112.286 -178.26 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -160.07 163.01 34.25 Favored 'General case' 0 C--O 1.231 0.082 0 N-CA-C 107.429 -1.323 . . . . 0.0 107.429 178.756 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -148.3 -176.59 21.89 Favored Glycine 0 C--N 1.337 0.601 0 CA-C-O 121.792 0.662 . . . . 0.0 113.924 -178.693 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 170.83 177.14 40.58 Favored Glycine 0 N--CA 1.426 -1.972 1 C-N-CA 131.044 4.164 . . . . 0.0 107.489 -177.904 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -45.82 -41.4 11.02 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 126.185 1.794 . . . . 0.0 113.148 179.878 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 86.7 mmt-85 -121.11 34.78 5.09 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 118.424 0.556 . . . . 0.0 111.079 -178.729 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -47.6 -40.99 20.81 Favored 'General case' 0 N--CA 1.441 -0.879 0 C-N-CA 125.519 1.528 . . . . 0.0 114.318 -179.577 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.87 -53.96 46.18 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 122.908 0.483 . . . . 0.0 109.824 -178.81 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -57.68 -46.38 84.38 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 178.928 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 17.1 mmm -55.73 -51.49 67.15 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 123.55 0.74 . . . . 0.0 111.592 179.428 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 82.4 m -56.63 -51.0 70.37 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 179.008 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.46 -35.6 70.36 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 178.476 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.86 -50.45 64.49 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 123.457 0.703 . . . . 0.0 111.142 -179.442 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.3 m -81.5 -27.49 10.19 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 C-N-CA 119.346 -0.941 . . . . 0.0 112.403 -176.153 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -70.24 77.89 0.53 Allowed 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 122.923 1.344 . . . . 0.0 111.761 -178.526 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.1 pttt -168.44 -35.57 0.02 OUTLIER 'General case' 0 N--CA 1.445 -0.718 1 C-N-CA 132.696 4.399 . . . . 0.0 106.655 177.692 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -78.51 -174.66 3.93 Favored 'General case' 0 N--CA 1.435 -1.205 0 CA-C-O 123.176 1.465 . . . . 0.0 109.037 177.205 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 28.6 t -154.27 169.59 23.3 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 128.515 2.726 . . . . 0.0 106.287 -178.5 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -36.31 -52.18 0.81 Allowed 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 125.563 1.545 . . . . 0.0 114.256 -176.651 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -61.74 -53.71 52.39 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 121.166 0.508 . . . . 0.0 110.51 -178.36 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -59.28 -43.74 92.52 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.391 0.676 . . . . 0.0 109.721 179.961 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 48.6 mt -61.19 -47.29 86.84 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.812 0.845 . . . . 0.0 110.212 179.434 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -62.25 -41.06 98.11 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 179.047 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.1 -46.38 84.49 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.746 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 72' ' ' LEU . 13.3 mt -54.64 -58.64 6.71 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 177.797 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.07 -39.94 69.8 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 118.851 -0.595 . . . . 0.0 110.352 -177.841 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -58.39 -50.12 74.83 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 177.463 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.405 ' CE1' ' HB2' ' A' ' 4' ' ' ALA . 75.9 t80 -57.83 -59.59 5.01 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 178.679 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.2 mtp -51.87 -38.39 55.89 Favored 'General case' 0 CA--C 1.539 0.558 0 O-C-N 121.567 -0.708 . . . . 0.0 112.776 178.282 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.8 t -73.91 -9.5 58.7 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 120.812 -1.18 . . . . 0.0 112.711 179.556 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 24.1 ttpp -94.15 -5.26 47.53 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 177.827 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.401 HD22 ' HB3' ' A' ' 17' ' ' ASP . 91.9 mt . . . . . 0 C--O 1.25 1.107 0 CA-C-O 117.124 -1.417 . . . . 0.0 109.581 178.084 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 80' ' ' HEM . . . . . 0.608 ' CHD' ' HB1' ' A' ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.714 0 N-CA-C 105.969 -1.863 . . . . 0.0 105.969 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 54.77 53.95 9.82 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-O 121.87 0.843 . . . . 0.0 112.717 172.136 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -50.88 -50.83 36.55 Favored Glycine 0 CA--C 1.526 0.768 0 CA-C-N 115.337 -0.847 . . . . 0.0 112.005 -179.098 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.0 -19.87 63.3 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.717 -0.872 . . . . 0.0 112.986 -179.423 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.81 -49.3 6.91 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 178.608 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.455 ' HB2' HD21 ' A' ' 72' ' ' LEU . 89.4 mt -58.51 -44.68 89.58 Favored 'General case' 0 N--CA 1.439 -0.977 0 CA-C-O 119.245 -0.407 . . . . 0.0 110.384 -179.395 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.488 ' HD1' HD22 ' A' ' 72' ' ' LEU . 1.5 t80 -63.94 -13.82 48.82 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 118.445 -1.302 . . . . 0.0 114.41 -177.912 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -59.32 -31.79 69.48 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 119.804 1.184 . . . . 0.0 110.185 177.915 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.2 m -75.45 -3.13 32.12 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.69 -0.631 . . . . 0.0 112.689 179.094 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.414 ' HB3' ' C4B' ' A' ' 80' ' ' HEM . 8.4 m -111.77 -35.46 5.73 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 126.77 2.028 . . . . 0.0 111.162 -176.899 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.8 tp -41.56 -34.51 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 C-N-CA 126.44 1.896 . . . . 0.0 112.523 -179.269 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -50.21 -46.09 43.47 Favored Glycine 0 CA--C 1.533 1.171 0 C-N-CA 123.725 0.679 . . . . 0.0 112.816 179.242 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 10.6 m -85.79 -43.94 12.91 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 118.104 0.952 . . . . 0.0 110.674 -179.5 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 69.6 m-70 -74.32 -10.91 60.06 Favored 'General case' 0 N--CA 1.434 -1.25 0 C-N-CA 126.621 1.968 . . . . 0.0 115.768 -176.121 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.15 147.49 3.94 Favored Glycine 0 CA--C 1.527 0.806 0 N-CA-C 109.662 -1.375 . . . . 0.0 109.662 -179.045 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.67 64.25 4.48 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 106.648 -1.612 . . . . 0.0 106.648 176.632 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.6 p30 179.17 -21.38 0.0 OUTLIER 'General case' 0 N--CA 1.435 -1.208 0 C-N-CA 129.915 3.286 . . . . 0.0 112.241 -174.567 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.519 ' HA3' ' CD2' ' A' ' 79' ' ' LEU . . . 69.12 -1.05 12.29 Favored Glycine 0 C--N 1.339 0.75 0 CA-C-N 120.3 1.409 . . . . 0.0 115.521 179.305 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.9 p -89.63 -27.43 20.18 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 123.98 0.912 . . . . 0.0 109.386 179.552 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.0 tttm -58.85 115.82 3.35 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 178.195 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.08 83.39 0.22 Allowed 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 -179.771 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -36.23 128.65 0.73 Allowed 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 126.321 1.848 . . . . 0.0 114.598 -177.181 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 26.4 mmt 24.38 -82.03 0.0 OUTLIER 'General case' 0 C--N 1.343 0.295 0 C-N-CA 130.197 3.399 . . . . 0.0 113.154 179.073 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.95 46.37 2.08 Favored Glycine 0 CA--C 1.532 1.096 0 N-CA-C 111.835 -0.506 . . . . 0.0 111.835 178.749 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.4 m 49.02 54.95 10.05 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 126.419 1.888 . . . . 0.0 111.43 178.207 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.12 146.74 37.65 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 -178.604 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.2 mtmm -60.37 127.26 86.2 Favored Pre-proline 0 CA--C 1.537 0.468 0 N-CA-C 103.737 -2.69 . . . . 0.0 103.737 173.938 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo -46.51 108.34 0.15 Allowed 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 123.167 2.578 . . . . 0.0 110.268 -176.757 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.1 t -57.54 -38.73 65.32 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 C-N-CA 123.956 0.902 . . . . 0.0 109.149 -177.118 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.1 ttmm -38.97 100.29 0.02 OUTLIER 'General case' 0 C--N 1.342 0.251 0 CA-C-O 122.896 1.331 . . . . 0.0 113.821 179.869 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 59.21 45.64 95.05 Favored Glycine 0 N--CA 1.444 -0.78 0 CA-C-N 112.463 -2.153 . . . . 0.0 110.139 177.664 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.424 ' HB2' HD21 ' A' ' 37' ' ' LEU . 2.1 mt-30 -55.34 -44.44 75.9 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 -178.919 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -172.83 -107.27 0.2 Allowed Glycine 0 CA--C 1.531 1.039 0 C-N-CA 128.008 2.718 . . . . 0.0 106.335 174.648 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 174.7 -56.8 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 130.874 3.669 . . . . 0.0 101.946 176.851 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -64.24 -42.21 96.64 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 105.682 -1.97 . . . . 0.0 105.682 173.075 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -57.97 -64.2 0.99 Allowed 'General case' 0 C--N 1.343 0.319 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 177.759 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.424 HD21 ' HB2' ' A' ' 32' ' ' GLN . 24.3 mt -45.76 -48.83 15.38 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 125.213 1.405 . . . . 0.0 110.626 179.008 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -61.37 -55.23 33.87 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 123.959 0.903 . . . . 0.0 111.378 179.668 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -56.55 -42.17 78.08 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.139 0.575 . . . . 0.0 110.007 -179.244 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 57.5 mmtt -64.56 -55.33 21.16 Favored 'General case' 0 N--CA 1.438 -1.055 0 C-N-CA 123.637 0.775 . . . . 0.0 110.176 -178.736 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.52 -39.91 89.56 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 -179.444 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -60.55 -43.6 97.05 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 178.058 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -51.84 -46.66 54.69 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 109.619 -1.392 . . . . 0.0 109.619 176.629 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -69.57 -40.49 76.72 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 118.11 0.955 . . . . 0.0 109.977 177.995 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.09 -52.99 59.24 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 124.568 1.147 . . . . 0.0 110.621 -179.703 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -81.33 -26.68 35.42 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.191 0.597 . . . . 0.0 110.942 179.651 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.45 5.89 55.42 Favored Glycine 0 CA--C 1.53 1.016 0 C-N-CA 124.629 1.109 . . . . 0.0 113.958 178.21 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.2 t -84.9 28.38 0.69 Allowed 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 119.206 1.503 . . . . 0.0 111.492 -179.853 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -169.37 147.72 3.72 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 105.03 -2.211 . . . . 0.0 105.03 -179.747 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 157.0 -173.19 34.62 Favored Glycine 0 C--N 1.334 0.463 0 CA-C-N 119.0 0.818 . . . . 0.0 111.319 -179.45 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 167.96 176.93 38.89 Favored Glycine 0 N--CA 1.425 -2.055 0 C-N-CA 130.084 3.707 . . . . 0.0 106.642 179.1 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -49.29 -55.64 12.07 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 123.833 0.853 . . . . 0.0 111.531 -178.293 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.8 ptt85 -64.89 -23.05 67.11 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 122.095 -0.378 . . . . 0.0 111.68 -178.429 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.7 mtmt -95.6 8.26 43.88 Favored 'General case' 0 N--CA 1.434 -1.251 0 C-N-CA 124.943 1.297 . . . . 0.0 110.523 179.651 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.13 -47.2 65.72 Favored 'General case' 0 C--O 1.233 0.21 0 O-C-N 120.81 -1.181 . . . . 0.0 108.117 178.062 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.6 mpp? -57.67 -44.55 85.83 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.981 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 31.3 mmm -52.99 -64.11 0.93 Allowed 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 124.066 0.946 . . . . 0.0 109.134 177.801 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 90.4 m -44.28 -50.58 8.89 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.819 1.248 . . . . 0.0 109.856 178.015 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -61.01 -43.89 98.22 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 119.48 -0.295 . . . . 0.0 111.696 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.09 -41.5 86.2 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-O 121.694 0.759 . . . . 0.0 110.971 -178.747 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 66.2 t -71.49 -38.35 67.75 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.631 0 C-N-CA 126.153 1.781 . . . . 0.0 113.16 -177.571 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.0 tppt? -45.39 -34.64 3.17 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -176.428 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 25.7 pttm -74.02 -15.46 61.09 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 -178.235 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -84.37 176.1 8.92 Favored 'General case' 0 N--CA 1.44 -0.969 0 CA-C-O 123.607 1.67 . . . . 0.0 111.397 -178.925 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.2 t -137.56 167.76 21.02 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 128.009 2.524 . . . . 0.0 107.815 178.557 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -40.4 -51.88 2.79 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 126.254 1.822 . . . . 0.0 113.197 -177.406 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -60.19 -47.88 84.07 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-O 121.377 0.608 . . . . 0.0 110.606 -179.042 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -63.79 -45.63 88.87 Favored 'General case' 0 N--CA 1.445 -0.695 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 -178.574 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 47.6 mt -58.85 -50.75 72.84 Favored 'General case' 0 N--CA 1.457 -0.096 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 177.994 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -57.87 -43.2 85.84 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 123.056 0.543 . . . . 0.0 110.001 -179.819 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.78 -47.12 76.24 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 -179.742 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.488 HD22 ' HD1' ' A' ' 7' ' ' TYR . 11.9 mt -58.89 -49.35 78.1 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 179.727 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.49 -49.34 77.95 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 -179.412 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -51.7 -45.54 63.56 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 176.457 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -62.86 -58.99 5.5 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 178.208 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 68.0 mtm -48.21 -30.39 4.65 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 118.911 0.778 . . . . 0.0 112.691 177.551 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.9 t -54.85 -36.58 65.22 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.17 -0.956 . . . . 0.0 109.802 177.457 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -122.37 45.71 2.3 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 127.548 2.339 . . . . 0.0 108.475 179.455 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.519 ' CD2' ' HA3' ' A' ' 18' ' ' GLY . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.105 0 C-N-CA 126.231 1.812 . . . . 0.0 111.26 -178.885 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 80' ' ' HEM . . . . . 0.424 ' HHA' HAD2 ' A' ' 80' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.683 0 N-CA-C 106.654 -1.61 . . . . 0.0 106.654 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -58.9 146.44 37.63 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 106.616 -1.624 . . . . 0.0 106.616 176.529 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 75.33 81.43 0.51 Allowed Glycine 0 N--CA 1.441 -1.006 1 N-CA-C 101.472 -4.651 . . . . 0.0 101.472 -171.308 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 119.66 -31.67 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 130.256 3.422 . . . . 0.0 107.517 -174.414 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.63 -19.8 23.26 Favored 'General case' 0 C--N 1.346 0.431 0 C-N-CA 118.753 -1.179 . . . . 0.0 110.352 -177.805 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.663 ' CB ' HD13 ' A' ' 72' ' ' LEU . 16.1 mt -88.68 -21.87 23.69 Favored 'General case' 0 N--CA 1.434 -1.269 0 C-N-CA 118.869 -1.132 . . . . 0.0 108.218 -177.631 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -84.97 -9.21 58.29 Favored 'General case' 0 C--N 1.346 0.431 0 N-CA-C 114.922 1.452 . . . . 0.0 114.922 -178.055 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -51.3 -48.4 62.31 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 119.463 1.028 . . . . 0.0 112.44 -178.253 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.8 m -76.33 27.49 0.12 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.696 1.198 . . . . 0.0 113.267 -178.29 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.0 m -130.5 -36.31 1.45 Allowed 'General case' 0 C--O 1.235 0.322 0 C-N-CA 126.196 1.799 . . . . 0.0 108.931 -177.947 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 23.6 mm -45.46 -33.7 1.38 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 C-N-CA 126.445 1.898 . . . . 0.0 110.607 178.017 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -52.64 -45.19 60.18 Favored Glycine 0 CA--C 1.535 1.341 0 CA-C-N 118.539 0.608 . . . . 0.0 112.191 178.269 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 11.8 m -90.59 -43.29 10.28 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 117.779 0.789 . . . . 0.0 111.233 -179.473 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 60.8 m-70 -80.6 -32.41 36.43 Favored 'General case' 0 N--CA 1.436 -1.167 0 N-CA-C 116.618 2.081 . . . . 0.0 116.618 -174.392 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 94.48 158.93 33.59 Favored Glycine 0 CA--C 1.528 0.866 0 N-CA-C 109.421 -1.471 . . . . 0.0 109.421 -177.47 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.74 -43.19 12.74 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 125.089 1.356 . . . . 0.0 113.463 -178.091 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.405 ' HA ' HD22 ' A' ' 79' ' ' LEU . 17.8 p-10 -109.54 26.45 10.63 Favored 'General case' 0 N--CA 1.435 -1.22 0 C-N-CA 127.903 2.481 . . . . 0.0 110.739 -178.634 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 44.14 40.89 6.01 Favored Glycine 0 CA--C 1.528 0.874 0 C-N-CA 124.937 1.256 . . . . 0.0 114.191 179.078 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.1 p -91.08 -32.08 16.01 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 125.217 1.407 . . . . 0.0 112.353 -178.51 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -64.53 121.72 15.09 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 -178.242 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.99 82.08 1.72 Allowed 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 106.464 -1.68 . . . . 0.0 106.464 177.631 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.76 145.93 4.85 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 125.203 1.401 . . . . 0.0 114.68 -176.425 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 13.6 mmt 27.8 -89.34 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 129.634 3.174 . . . . 0.0 114.43 179.154 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.37 -33.76 53.55 Favored Glycine 0 CA--C 1.526 0.767 0 C-N-CA 123.547 0.594 . . . . 0.0 113.272 -178.525 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 41.5 t 122.16 60.2 0.0 OUTLIER 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 130.758 3.623 . . . . 0.0 105.251 -178.642 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.58 134.45 24.23 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 -177.435 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.6 mtmm -60.11 121.12 56.7 Favored Pre-proline 0 N--CA 1.451 -0.41 0 N-CA-C 102.811 -3.033 . . . . 0.0 102.811 174.334 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -31.68 103.14 0.03 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 124.387 3.391 . . . . 0.0 113.039 -177.356 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.4 t -53.98 -34.3 25.8 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 -179.326 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.8 tmtm? -37.17 90.59 0.0 OUTLIER 'General case' 0 CA--C 1.52 -0.178 0 C-N-CA 127.907 2.483 . . . . 0.0 114.547 175.289 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 65.19 44.31 94.1 Favored Glycine 0 N--CA 1.444 -0.795 0 CA-C-N 111.932 -2.395 . . . . 0.0 110.476 177.551 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.496 ' HB2' HD21 ' A' ' 37' ' ' LEU . 2.8 mt-30 -52.51 -43.2 64.94 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 179.408 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.4 -118.94 0.56 Allowed Glycine 0 CA--C 1.531 1.08 0 C-N-CA 128.437 2.922 . . . . 0.0 105.906 173.702 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -167.26 -58.75 0.03 OUTLIER 'General case' 0 C--O 1.222 -0.369 0 C-N-CA 129.518 3.127 . . . . 0.0 102.563 174.831 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -42.45 99.25 Favored 'General case' 0 N--CA 1.422 -1.853 0 C-N-CA 125.995 1.718 . . . . 0.0 106.584 173.229 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -56.36 -65.26 0.64 Allowed 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 125.784 1.634 . . . . 0.0 108.447 177.786 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.496 HD21 ' HB2' ' A' ' 32' ' ' GLN . 20.1 mt -48.84 -48.24 41.93 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.338 1.455 . . . . 0.0 110.982 178.463 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -61.94 -48.96 78.08 Favored 'General case' 0 C--O 1.225 -0.207 0 C-N-CA 124.857 1.263 . . . . 0.0 111.293 -179.649 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.9 ttpp -60.5 -42.5 96.48 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 179.369 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 25.3 mttp -61.71 -52.18 65.35 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 123.264 0.626 . . . . 0.0 109.957 -179.665 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 70.5 mtm -65.52 -37.73 87.62 Favored 'General case' 0 C--O 1.219 -0.552 0 CA-C-O 118.091 -0.957 . . . . 0.0 111.197 179.328 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -60.27 -44.21 95.52 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 106.885 -1.524 . . . . 0.0 106.885 177.637 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -53.24 -56.43 19.37 Favored Glycine 0 CA--C 1.528 0.873 0 N-CA-C 109.586 -1.406 . . . . 0.0 109.586 176.838 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -62.56 -43.14 99.54 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 118.478 1.139 . . . . 0.0 111.252 179.538 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.78 -46.35 59.56 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 125.535 1.534 . . . . 0.0 109.029 -179.824 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -88.82 7.08 35.97 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.879 1.272 . . . . 0.0 112.665 -179.442 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 56.96 39.24 88.79 Favored Glycine 0 CA--C 1.531 1.043 0 CA-C-N 119.258 0.935 . . . . 0.0 112.04 -179.835 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.4 t -131.33 42.15 3.24 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.258 1.423 . . . . 0.0 110.838 -178.487 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -160.93 161.2 31.62 Favored 'General case' 0 C--O 1.231 0.13 0 N-CA-C 106.952 -1.499 . . . . 0.0 106.952 177.258 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -136.36 -176.92 14.62 Favored Glycine 0 C--N 1.337 0.628 0 CA-C-O 121.908 0.727 . . . . 0.0 113.713 -177.776 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 169.01 176.54 39.16 Favored Glycine 0 N--CA 1.425 -2.038 0 C-N-CA 129.906 3.622 . . . . 0.0 107.081 -177.771 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -68.5 -30.17 68.94 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 124.076 0.951 . . . . 0.0 110.965 -179.359 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.7 tpp180 -127.47 37.62 4.2 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 121.949 0.88 . . . . 0.0 108.986 178.414 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -52.1 -32.21 34.18 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 125.363 1.465 . . . . 0.0 112.368 179.189 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.71 -56.3 21.18 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 123.192 0.597 . . . . 0.0 110.542 -179.122 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 26.2 mmt -57.59 -47.9 80.85 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 179.121 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.1 mmm -54.27 -52.18 62.22 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.557 179.67 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 70.0 m -56.08 -50.97 69.52 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 179.557 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -56.45 -39.71 73.61 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 118.164 0.438 . . . . 0.0 110.149 178.89 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.83 -44.82 88.59 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 123.255 0.622 . . . . 0.0 112.595 -179.162 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.5 m -89.75 -31.94 5.46 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 CA-C-N 119.551 1.069 . . . . 0.0 113.516 -176.505 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 36.8 tttp -54.86 -26.85 38.21 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 118.983 0.81 . . . . 0.0 113.109 -175.39 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 47.6 pttt -68.21 -16.02 63.81 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 117.966 0.348 . . . . 0.0 111.703 178.567 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -93.11 -166.38 1.52 Allowed 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 125.289 1.436 . . . . 0.0 109.089 178.609 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 56.7 m -148.56 153.77 38.84 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 126.508 1.923 . . . . 0.0 108.909 179.572 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -29.47 -53.37 0.13 Allowed 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 126.966 2.106 . . . . 0.0 115.318 -176.871 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -62.58 -46.41 88.45 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 121.639 0.733 . . . . 0.0 110.37 -178.734 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -60.52 -44.7 95.75 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 107.629 -1.248 . . . . 0.0 107.629 178.248 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 80.7 mt -56.63 -43.87 80.68 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 118.08 0.4 . . . . 0.0 110.033 178.299 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -60.66 -44.44 96.44 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 122.199 -0.313 . . . . 0.0 110.26 179.124 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.15 -46.4 81.06 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 122.139 0.971 . . . . 0.0 109.575 -179.28 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.663 HD13 ' CB ' ' A' ' 6' ' ' LEU . 30.7 tp -59.5 -47.59 84.93 Favored 'General case' 0 N--CA 1.435 -1.216 0 C-N-CA 124.651 1.18 . . . . 0.0 110.737 -179.084 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.04 -48.04 75.27 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.81 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -51.7 -42.63 62.35 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 176.87 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -62.19 -55.74 25.55 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 177.465 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 47.8 mtm -48.55 -37.08 16.86 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 118.428 0.558 . . . . 0.0 111.597 178.235 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.5 t -55.68 -31.3 62.3 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.331 -0.856 . . . . 0.0 111.862 178.44 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 41.0 mmtm -91.85 10.78 27.25 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.033 0.933 . . . . 0.0 112.992 -178.682 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.405 HD22 ' HA ' ' A' ' 17' ' ' ASP . 78.5 mt . . . . . 0 C--O 1.253 1.261 0 CA-C-O 117.7 -1.143 . . . . 0.0 110.245 178.605 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 80' ' ' HEM . . . . . 0.436 ' CMB' HD21 ' A' ' 72' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.651 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -69.46 109.49 4.25 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 119.626 1.103 . . . . 0.0 110.631 -179.523 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.7 -36.51 79.23 Favored Glycine 0 N--CA 1.448 -0.511 0 CA-C-O 119.078 -0.846 . . . . 0.0 112.492 178.021 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.49 -23.69 62.98 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-N 118.806 1.303 . . . . 0.0 110.621 177.591 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.87 -29.23 17.64 Favored 'General case' 0 N--CA 1.443 -0.814 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 177.935 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 93.4 mt -73.12 -42.13 63.24 Favored 'General case' 0 N--CA 1.444 -0.73 0 C-N-CA 118.619 -1.232 . . . . 0.0 108.989 -179.383 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.633 ' HD1' HD22 ' A' ' 72' ' ' LEU . 1.8 t80 -64.75 -9.93 23.89 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 114.96 1.467 . . . . 0.0 114.96 -177.623 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -53.32 -33.66 54.34 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 119.167 0.894 . . . . 0.0 109.988 177.759 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.8 p -72.14 8.66 1.2 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.182 0.993 . . . . 0.0 113.073 178.382 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.9 m -130.79 -35.69 1.43 Allowed 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 125.086 1.354 . . . . 0.0 109.904 -173.441 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.0 mm -43.14 -37.22 0.87 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 C-N-CA 125.488 1.515 . . . . 0.0 110.906 177.142 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -47.82 -40.81 19.35 Favored Glycine 0 CA--C 1.535 1.304 0 CA-C-N 118.124 0.42 . . . . 0.0 112.157 178.097 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 34.2 m -99.68 -46.25 5.49 Favored 'General case' 0 C--N 1.339 0.137 0 C-N-CA 123.763 0.825 . . . . 0.0 110.522 178.935 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.433 ' HB3' ' HA2' ' A' ' 18' ' ' GLY . 92.4 m-70 -74.33 -11.22 60.2 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 114.827 1.417 . . . . 0.0 114.827 -175.639 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 72.95 118.67 0.07 OUTLIER Glycine 0 CA--C 1.533 1.187 0 N-CA-C 119.11 2.404 . . . . 0.0 119.11 174.308 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 54.52 -76.64 0.01 OUTLIER 'General case' 0 C--N 1.341 0.215 0 C-N-CA 128.541 2.737 . . . . 0.0 113.375 176.943 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -112.23 -29.33 7.6 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 126.834 2.054 . . . . 0.0 110.645 -179.265 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.433 ' HA2' ' HB3' ' A' ' 14' ' ' HIS . . . 134.35 32.41 0.34 Allowed Glycine 0 CA--C 1.537 1.417 0 C-N-CA 128.707 3.051 . . . . 0.0 111.57 178.982 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.7 m -87.61 -22.41 24.77 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 114.685 1.365 . . . . 0.0 114.685 -176.633 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.7 ttmm -78.42 143.23 36.95 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.864 0.84 . . . . 0.0 111.26 -178.012 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.66 80.65 1.53 Allowed 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 106.309 -1.737 . . . . 0.0 106.309 175.823 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -41.16 136.72 1.51 Allowed 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 116.264 1.95 . . . . 0.0 116.264 -176.037 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 42.3 tpp 17.79 -49.45 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.644 1 C-N-CA 134.72 5.208 . . . . 0.0 118.86 176.526 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.439 ' H ' HMD1 ' A' ' 80' ' ' HEM . . . -79.15 -30.8 44.94 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 120.725 -1.234 . . . . 0.0 110.222 177.852 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 60.8 m 117.34 55.19 0.0 OUTLIER 'General case' 0 CA--C 1.528 0.114 1 C-N-CA 132.655 4.382 . . . . 0.0 105.295 -178.218 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.86 156.1 11.96 Favored 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 115.602 1.705 . . . . 0.0 115.602 -176.524 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.6 mtmm -68.33 127.95 93.19 Favored Pre-proline 0 N--CA 1.446 -0.637 0 N-CA-C 100.793 -3.78 . . . . 0.0 100.793 170.924 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -52.45 117.78 3.99 Favored 'Trans proline' 0 N--CA 1.455 -0.742 0 CA-C-N 121.595 1.605 . . . . 0.0 109.243 -178.21 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.1 m -60.29 -23.39 27.67 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 -179.372 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.3 tttp -53.34 93.2 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.525 0 CA-C-O 123.288 1.518 . . . . 0.0 111.91 173.889 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 83.09 31.13 29.4 Favored Glycine 0 N--CA 1.442 -0.908 0 CA-C-N 112.306 -2.225 . . . . 0.0 111.799 177.445 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -65.44 -36.63 84.49 Favored 'General case' 0 N--CA 1.437 -1.124 0 N-CA-C 106.273 -1.751 . . . . 0.0 106.273 177.272 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 123.75 121.94 2.67 Favored Glycine 0 C--O 1.218 -0.852 0 C-N-CA 127.851 2.643 . . . . 0.0 109.708 176.24 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.25 -47.6 12.83 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 120.611 2.206 . . . . 0.0 112.46 -178.454 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -59.49 -44.72 93.01 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 179.375 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.89 -63.76 1.14 Allowed 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 126.209 1.804 . . . . 0.0 108.17 179.886 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 27.6 mt -48.32 -45.58 35.31 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 126.935 2.094 . . . . 0.0 110.503 179.873 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -70.54 -45.7 65.01 Favored 'General case' 0 N--CA 1.45 -0.455 0 O-C-N 122.092 -0.38 . . . . 0.0 111.517 -179.053 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -59.88 -41.1 90.84 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 179.25 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -64.93 -50.06 67.96 Favored 'General case' 0 N--CA 1.438 -1.062 0 C-N-CA 124.015 0.926 . . . . 0.0 109.899 179.939 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 55.6 mtm -62.57 -36.95 84.29 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-O 117.832 -1.08 . . . . 0.0 110.276 178.634 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.29 -48.31 80.89 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 106.818 -1.549 . . . . 0.0 106.818 176.576 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -51.52 -51.7 36.55 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 177.66 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -69.38 -35.48 75.86 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 118.313 1.057 . . . . 0.0 111.477 179.15 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.34 -53.45 57.14 Favored 'General case' 0 CA--C 1.522 -0.099 0 C-N-CA 124.923 1.289 . . . . 0.0 108.796 -178.854 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -76.26 -37.65 57.31 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 177.918 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.96 22.35 8.02 Favored Glycine 0 CA--C 1.532 1.098 0 C-N-CA 125.503 1.525 . . . . 0.0 112.994 178.746 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.3 t -102.97 38.97 1.63 Allowed 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.615 1.166 . . . . 0.0 110.381 -179.885 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -159.0 161.39 36.65 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 179.66 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -145.85 -178.17 21.12 Favored Glycine 0 CA--C 1.524 0.637 0 CA-C-O 121.644 0.58 . . . . 0.0 112.813 -178.764 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 176.55 175.1 43.61 Favored Glycine 0 N--CA 1.425 -2.052 1 C-N-CA 130.863 4.078 . . . . 0.0 106.834 -178.587 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.9 tp10 -50.55 -43.89 56.31 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 124.632 1.173 . . . . 0.0 111.078 -179.529 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.411 ' HG2' HMD3 ' A' ' 80' ' ' HEM . 32.0 mmt180 -111.36 34.21 4.23 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.748 0.819 . . . . 0.0 110.94 -179.139 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 53.1 pttt -45.9 -41.15 11.04 Favored 'General case' 0 C--N 1.34 0.186 0 C-N-CA 124.635 1.174 . . . . 0.0 113.451 -179.573 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.59 -51.29 63.5 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 122.091 0.156 . . . . 0.0 110.783 -178.368 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 93.9 mmm -57.61 -46.74 83.7 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 179.019 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 39.9 mmm -56.82 -63.09 1.32 Allowed 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.144 179.676 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 99.1 m -47.33 -48.14 25.5 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 124.723 1.209 . . . . 0.0 110.166 178.222 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.74 -42.12 92.47 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 118.339 0.518 . . . . 0.0 110.769 179.967 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.11 -30.55 60.9 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.35 0.523 . . . . 0.0 112.234 -178.648 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 79.6 t -86.07 -51.6 13.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 125.413 1.485 . . . . 0.0 114.079 -176.241 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -48.77 -30.61 5.85 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.86 1.264 . . . . 0.0 113.314 -176.884 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 25.2 pttm -69.26 -21.46 63.9 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 118.846 0.748 . . . . 0.0 112.673 -179.925 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -86.03 167.67 14.81 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-O 123.852 1.787 . . . . 0.0 111.385 -179.091 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 92.4 p -97.3 166.31 11.61 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 128.632 2.773 . . . . 0.0 109.366 178.643 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -57.95 -37.82 74.83 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 177.46 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.24 -54.16 28.32 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.514 1.126 . . . . 0.0 109.201 179.476 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.53 -48.17 72.27 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 178.633 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 83.1 mt -60.48 -42.51 96.41 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 179.11 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 16.6 ttmm -59.88 -48.59 81.09 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 121.678 -0.639 . . . . 0.0 109.402 179.038 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.51 -42.9 97.33 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 -179.728 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.633 HD22 ' HD1' ' A' ' 7' ' ' TYR . 12.4 mt -61.33 -47.98 83.44 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-O 119.203 -0.427 . . . . 0.0 111.181 179.188 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.34 -43.74 96.87 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 -179.292 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -54.34 -50.74 66.73 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 178.044 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -57.59 -59.45 5.16 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 122.941 0.496 . . . . 0.0 109.729 178.586 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.418 ' HA ' HD13 ' A' ' 79' ' ' LEU . 54.6 mtm -49.18 -44.42 43.0 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.665 0.666 . . . . 0.0 112.361 179.05 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.5 t -64.58 -7.12 9.2 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 117.848 -1.072 . . . . 0.0 112.982 -179.051 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -110.83 9.17 22.53 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.841 1.256 . . . . 0.0 111.638 178.963 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.418 HD13 ' HA ' ' A' ' 76' ' ' MET . 0.5 OUTLIER . . . . . 0 C--O 1.253 1.256 0 CA-C-O 117.509 -1.234 . . . . 0.0 109.292 176.498 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 80' ' ' HEM . . . . . 0.439 HMD1 ' H ' ' A' ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.598 0 CA-C-O 118.058 -0.973 . . . . 0.0 108.494 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -62.94 138.4 58.54 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 118.723 0.692 . . . . 0.0 110.686 179.92 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.59 -60.81 7.25 Favored Glycine 0 N--CA 1.447 -0.611 0 N-CA-C 109.711 -1.356 . . . . 0.0 109.711 179.558 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -48.05 -44.83 31.56 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 117.25 0.525 . . . . 0.0 110.962 -179.604 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.02 -44.59 78.89 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-O 119.494 -0.289 . . . . 0.0 111.69 -179.616 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 51.9 mt -69.86 -47.28 63.23 Favored 'General case' 0 N--CA 1.439 -1.007 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 179.197 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -53.42 -23.93 11.18 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.375 1.07 . . . . 0.0 113.883 -178.078 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -52.46 -35.47 52.58 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.387 -0.82 . . . . 0.0 110.416 176.719 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 m -69.09 -5.25 20.93 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.36 1.064 . . . . 0.0 113.37 -179.486 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.7 m -112.7 -37.93 4.74 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 127.312 2.245 . . . . 0.0 111.157 -175.203 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.1 mp -45.86 -29.34 0.89 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 125.726 1.611 . . . . 0.0 112.387 -179.903 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -55.31 -45.6 82.62 Favored Glycine 0 CA--C 1.536 1.359 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 177.223 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.3 m -89.47 -41.57 11.98 Favored 'General case' 0 C--N 1.339 0.12 0 O-C-N 122.157 -0.614 . . . . 0.0 110.034 179.187 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 84.7 m-70 -73.89 -9.83 59.04 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 113.539 0.94 . . . . 0.0 113.539 -177.297 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.95 90.37 0.02 OUTLIER Glycine 0 CA--C 1.524 0.606 0 N-CA-C 116.68 1.432 . . . . 0.0 116.68 175.03 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 66.12 -47.54 0.42 Allowed 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 127.069 2.148 . . . . 0.0 114.7 175.96 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 43.6 p-10 -134.81 -74.84 0.46 Allowed 'General case' 0 N--CA 1.436 -1.128 0 C-N-CA 126.474 1.91 . . . . 0.0 109.211 -179.742 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 176.84 26.54 0.03 OUTLIER Glycine 0 CA--C 1.524 0.642 0 C-N-CA 126.015 1.769 . . . . 0.0 109.761 179.917 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.7 p -79.42 -51.86 8.82 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 125.537 1.535 . . . . 0.0 108.297 -179.994 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -56.16 119.95 6.75 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.032 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.15 84.35 0.53 Allowed 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 106.771 -1.566 . . . . 0.0 106.771 178.54 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -35.63 126.91 0.66 Allowed 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 125.593 1.557 . . . . 0.0 114.099 -175.441 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 85.6 mmm 16.74 -74.95 0.0 OUTLIER 'General case' 0 C--N 1.344 0.348 0 C-N-CA 130.883 3.673 . . . . 0.0 113.246 179.727 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.4 46.21 1.89 Allowed Glycine 0 CA--C 1.534 1.258 0 N-CA-C 111.542 -0.623 . . . . 0.0 111.542 176.978 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.1 m 45.78 52.42 9.63 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 126.826 2.05 . . . . 0.0 112.578 178.611 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.97 135.14 56.17 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 118.736 -1.186 . . . . 0.0 112.596 179.887 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 31.9 mmtt -67.08 117.2 43.69 Favored Pre-proline 0 CA--C 1.535 0.403 0 N-CA-C 102.566 -3.124 . . . . 0.0 102.566 176.736 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 0.8 OUTLIER -20.6 103.62 0.01 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.643 1 C-N-CA 125.993 4.462 . . . . 0.0 115.616 -174.873 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 37.7 t -57.24 -35.22 47.9 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 N-CA-C 106.675 -1.602 . . . . 0.0 106.675 177.699 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -65.5 92.82 0.14 Allowed 'General case' 0 CA--C 1.514 -0.406 0 CA-C-O 122.38 1.086 . . . . 0.0 108.291 174.723 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 131.55 -14.31 5.31 Favored Glycine 0 CA--C 1.523 0.565 0 CA-C-N 112.716 -2.038 . . . . 0.0 112.507 179.274 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -66.9 147.41 53.27 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 119.15 1.475 . . . . 0.0 107.483 178.909 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -88.41 146.3 19.44 Favored Glycine 0 CA--C 1.53 1.01 0 CA-C-O 118.951 -0.916 . . . . 0.0 113.982 -175.84 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.62 -49.29 14.39 Favored 'General case' 0 C--N 1.343 0.318 0 CA-C-N 119.309 1.555 . . . . 0.0 112.644 -178.493 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -59.06 -42.98 91.63 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 -179.649 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -60.13 -63.93 1.13 Allowed 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 124.992 1.317 . . . . 0.0 107.755 179.254 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 37.7 mt -46.75 -46.06 20.16 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 126.752 2.021 . . . . 0.0 110.705 -179.273 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -71.0 -47.29 59.64 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 123.287 0.635 . . . . 0.0 111.556 -179.342 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.53 -41.16 89.38 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 179.594 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp -65.15 -51.18 62.72 Favored 'General case' 0 N--CA 1.437 -1.099 0 C-N-CA 124.654 1.181 . . . . 0.0 109.963 -179.457 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 58.2 mtm -62.67 -38.44 90.35 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-O 117.622 -1.18 . . . . 0.0 109.798 178.632 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -59.46 -45.09 92.62 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 120.74 1.609 . . . . 0.0 106.803 176.25 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -50.26 -49.69 36.98 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 124.363 0.983 . . . . 0.0 110.9 177.07 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -71.26 -54.6 10.34 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.247 -1.149 . . . . 0.0 109.842 179.009 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -40.93 -53.85 2.85 Favored 'General case' 0 CA--C 1.527 0.083 0 C-N-CA 128.101 2.56 . . . . 0.0 111.533 -178.795 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -160.44 53.2 0.32 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.02 0.928 . . . . 0.0 110.197 -177.028 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -155.15 20.66 0.56 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 120.556 -1.34 . . . . 0.0 112.339 178.399 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.1 t 39.06 42.28 0.67 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 128.337 2.655 . . . . 0.0 112.931 179.069 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -75.63 162.22 28.44 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 176.888 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -135.98 -177.46 15.01 Favored Glycine 0 C--N 1.338 0.665 0 CA-C-O 122.007 0.782 . . . . 0.0 114.653 -178.564 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 168.83 176.58 39.1 Favored Glycine 0 N--CA 1.426 -1.984 1 C-N-CA 130.791 4.044 . . . . 0.0 107.22 -177.66 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -57.18 -28.03 62.46 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 125.3 1.44 . . . . 0.0 112.692 -179.709 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 87.3 mmt-85 -126.21 32.98 5.11 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.498 1.119 . . . . 0.0 110.171 178.738 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -47.98 -40.4 22.34 Favored 'General case' 0 N--CA 1.437 -1.105 0 C-N-CA 125.067 1.347 . . . . 0.0 113.706 -179.973 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.7 -51.69 63.92 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 122.51 0.324 . . . . 0.0 110.588 -178.254 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.594 ' HG2' HBC2 ' A' ' 80' ' ' HEM . 42.0 tpp -59.28 -46.59 88.11 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 178.932 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 44.0 mmm -55.16 -59.97 4.03 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.929 -179.738 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 35.1 m -52.98 -43.67 66.6 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 123.656 0.782 . . . . 0.0 110.276 178.195 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.95 -43.7 98.32 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 119.488 1.04 . . . . 0.0 110.634 179.506 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.7 -42.54 73.94 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-O 121.48 0.657 . . . . 0.0 111.706 -178.572 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 76.6 t -74.4 -44.07 48.64 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 C-N-CA 126.16 1.784 . . . . 0.0 113.259 -176.72 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.3 tptm -53.78 -32.95 54.32 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.199 1.0 . . . . 0.0 113.033 -177.132 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.4 pttp -74.64 -8.5 56.57 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 118.84 0.745 . . . . 0.0 112.286 -179.946 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -97.39 -179.41 4.48 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-O 122.622 1.201 . . . . 0.0 108.668 178.506 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 35.2 t -136.06 170.65 15.67 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 126.96 2.104 . . . . 0.0 109.112 179.161 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -41.98 -49.84 4.61 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 125.705 1.602 . . . . 0.0 112.828 -177.413 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -61.87 -48.71 79.29 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.167 0.587 . . . . 0.0 110.63 -178.639 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -61.39 -47.01 87.78 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.444 0.698 . . . . 0.0 109.419 179.882 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 88.2 mt -60.52 -45.04 95.28 Favored 'General case' 0 CA--C 1.528 0.124 0 N-CA-C 109.616 -0.512 . . . . 0.0 109.616 179.267 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -61.0 -42.9 99.33 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 178.889 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.99 -48.15 77.53 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 -179.824 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 72' ' ' LEU . 15.4 mt -58.53 -51.96 67.67 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-O 119.147 -0.454 . . . . 0.0 110.864 179.423 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.44 -41.17 98.53 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-O 118.818 -0.611 . . . . 0.0 110.083 -178.478 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -54.4 -49.54 69.66 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 177.413 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -60.55 -59.31 5.61 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 178.553 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 71.5 mtm -50.83 -29.63 12.24 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 177.825 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.2 t -72.07 -23.28 61.33 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 120.743 -1.223 . . . . 0.0 112.34 -179.803 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -110.54 27.34 9.74 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 118.83 0.741 . . . . 0.0 109.283 177.984 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 21.4 tp . . . . . 0 C--O 1.25 1.094 0 C-N-CA 127.092 2.157 . . . . 0.0 111.273 -179.735 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 80' ' ' HEM . . . . . 0.594 HBC2 ' HG2' ' A' ' 56' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.666 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -83.56 81.78 8.59 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-O 118.491 -0.766 . . . . 0.0 110.513 -178.88 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -36.54 -48.22 1.23 Allowed Glycine 0 C--N 1.339 0.721 0 C-N-CA 126.204 1.859 . . . . 0.0 112.78 -179.09 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -49.34 -28.87 5.38 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 179.848 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -85.71 -29.81 23.63 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 119.126 0.875 . . . . 0.0 109.752 -178.415 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.449 HD12 ' N ' ' A' ' 6' ' ' LEU . 5.4 mp -74.61 -39.41 62.17 Favored 'General case' 0 N--CA 1.439 -1.012 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 -179.745 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.484 ' N ' HD21 ' A' ' 72' ' ' LEU . 2.5 t80 -69.15 -14.13 62.82 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 115.738 1.755 . . . . 0.0 115.738 -178.246 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -50.48 -46.15 56.74 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 119.393 0.997 . . . . 0.0 112.91 -177.881 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.31 -23.58 67.35 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.46 0.704 . . . . 0.0 112.757 179.827 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.9 m -85.63 -35.99 20.61 Favored 'General case' 0 CA--C 1.515 -0.369 0 C-N-CA 125.799 1.64 . . . . 0.0 109.838 -177.249 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -48.64 -31.63 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 C-N-CA 124.774 1.23 . . . . 0.0 110.54 179.357 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -58.64 -43.6 96.12 Favored Glycine 0 CA--C 1.535 1.335 0 CA-C-N 118.473 0.579 . . . . 0.0 112.073 177.895 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.3 m -90.38 -39.1 12.88 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 117.939 0.869 . . . . 0.0 111.702 -178.568 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -91.0 -23.54 20.36 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 115.145 1.535 . . . . 0.0 115.145 -176.481 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 86.44 156.24 28.06 Favored Glycine 0 CA--C 1.527 0.796 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.208 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.06 -43.81 63.99 Favored 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 123.642 0.777 . . . . 0.0 110.269 179.656 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 51.8 p30 -87.89 12.62 12.69 Favored 'General case' 0 N--CA 1.437 -1.105 0 C-N-CA 126.631 1.972 . . . . 0.0 113.209 -179.996 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.512 ' HA3' HD21 ' A' ' 79' ' ' LEU . . . 48.24 19.97 1.3 Allowed Glycine 0 CA--C 1.527 0.806 0 C-N-CA 125.49 1.519 . . . . 0.0 115.443 -179.727 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.3 m -95.52 -10.14 30.51 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 117.941 0.871 . . . . 0.0 112.733 -176.309 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -72.36 115.45 11.63 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 178.73 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.78 85.06 0.66 Allowed 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 105.714 -1.958 . . . . 0.0 105.714 177.344 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.26 146.18 3.92 Favored 'General case' 0 N--CA 1.443 -0.775 0 C-N-CA 125.995 1.718 . . . . 0.0 115.413 -176.22 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 46.3 tpp 28.78 -86.7 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 130.409 3.483 . . . . 0.0 114.517 178.166 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.86 -28.67 63.61 Favored Glycine 0 CA--C 1.526 0.729 0 C-N-CA 123.528 0.585 . . . . 0.0 113.608 -178.668 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 42.3 m 114.5 65.28 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.205 1 C-N-CA 131.918 4.087 . . . . 0.0 104.799 -177.823 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.438 ' CB ' HAD1 ' A' ' 80' ' ' HEM . . . -56.01 146.43 22.55 Favored 'General case' 0 N--CA 1.438 -1.071 0 N-CA-C 116.675 2.102 . . . . 0.0 116.675 -177.731 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.1 mtmm -64.79 115.27 19.18 Favored Pre-proline 0 CA--C 1.537 0.449 0 N-CA-C 102.711 -3.07 . . . . 0.0 102.711 171.69 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -34.74 113.49 0.08 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.506 0 C-N-CA 123.93 3.087 . . . . 0.0 112.538 -177.682 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 33.5 m -64.73 -29.8 48.43 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 -179.609 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 42.2 tptt -54.1 108.49 0.37 Allowed 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 124.235 1.014 . . . . 0.0 110.496 172.777 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 107.65 -13.25 38.92 Favored Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 114.192 -1.367 . . . . 0.0 111.332 177.623 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.416 ' HB2' HD21 ' A' ' 37' ' ' LEU . 76.5 mt-30 -64.95 142.83 58.3 Favored 'General case' 0 N--CA 1.438 -1.025 0 N-CA-C 106.068 -1.827 . . . . 0.0 106.068 177.7 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -83.97 146.17 22.93 Favored Glycine 0 CA--C 1.526 0.774 0 CA-C-O 118.601 -1.111 . . . . 0.0 112.998 -175.694 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.07 -50.83 10.73 Favored 'General case' 0 CA--C 1.517 -0.311 0 C-N-CA 125.862 1.665 . . . . 0.0 112.222 -178.519 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -55.75 -48.5 75.16 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 -179.939 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -59.39 -61.81 2.35 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 124.166 0.986 . . . . 0.0 108.548 179.706 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.416 HD21 ' HB2' ' A' ' 32' ' ' GLN . 14.2 mt -49.08 -41.77 36.6 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 125.71 1.604 . . . . 0.0 112.064 179.866 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -77.12 -40.51 45.52 Favored 'General case' 0 N--CA 1.445 -0.693 0 O-C-N 121.949 -0.47 . . . . 0.0 110.925 -176.852 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -61.49 -43.33 99.06 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 107.376 -1.342 . . . . 0.0 107.376 178.41 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -64.66 -54.39 32.56 Favored 'General case' 0 N--CA 1.436 -1.152 0 C-N-CA 124.179 0.991 . . . . 0.0 110.366 -179.699 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 52.5 mtm -61.75 -37.13 83.11 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-O 118.066 -0.969 . . . . 0.0 110.685 179.704 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -62.97 -44.68 95.38 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 120.207 1.367 . . . . 0.0 107.341 177.318 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -53.01 -45.39 62.14 Favored Glycine 0 CA--C 1.531 1.091 0 N-CA-C 110.236 -1.145 . . . . 0.0 110.236 176.819 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -69.48 -46.36 66.82 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 117.924 0.862 . . . . 0.0 110.127 178.175 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -48.34 -51.79 24.58 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 126.608 1.963 . . . . 0.0 109.853 -178.648 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -88.13 10.25 19.96 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.219 1.008 . . . . 0.0 112.583 -178.689 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 52.92 34.52 45.9 Favored Glycine 0 CA--C 1.532 1.115 0 CA-C-N 119.027 0.83 . . . . 0.0 113.001 -179.899 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.2 t -99.64 -25.05 14.53 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.869 1.268 . . . . 0.0 110.175 -179.841 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -121.65 148.5 44.48 Favored 'General case' 0 C--N 1.34 0.16 0 N-CA-C 106.943 -1.503 . . . . 0.0 106.943 178.719 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 149.36 -176.21 28.21 Favored Glycine 0 C--N 1.335 0.478 0 CA-C-O 122.316 0.953 . . . . 0.0 112.652 176.881 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.414 ' H ' ' HB2' ' A' ' 54' ' ' LYS . . . -179.26 -173.96 44.94 Favored Glycine 0 N--CA 1.425 -2.05 1 C-N-CA 132.904 5.05 . . . . 0.0 106.269 -177.848 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.4 mp0 -47.37 -58.98 3.53 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 124.786 1.235 . . . . 0.0 110.161 -179.241 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.432 HH11 ' CGD' ' A' ' 80' ' ' HEM . 72.4 mtt180 -47.04 -47.49 22.47 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 122.541 1.163 . . . . 0.0 111.181 178.459 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.416 ' HA ' ' HB2' ' A' ' 57' ' ' MET . 71.8 mttt -83.29 3.32 31.88 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 127.196 2.198 . . . . 0.0 114.131 -174.209 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.8 -46.49 62.73 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 107.096 -1.446 . . . . 0.0 107.096 176.919 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 64.8 mtt -59.62 -42.54 92.91 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 178.025 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.416 ' HB2' ' HA ' ' A' ' 54' ' ' LYS . 51.1 mmm -56.14 -61.46 2.37 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 177.619 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 86.1 m -46.01 -50.59 14.8 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.895 0.878 . . . . 0.0 109.871 177.946 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 15.8 t30 -56.71 -34.17 67.21 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 122.975 0.51 . . . . 0.0 111.847 179.497 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.31 -63.57 1.39 Allowed 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 119.205 0.911 . . . . 0.0 108.866 178.151 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 71.4 t -42.81 -42.88 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 127.95 2.5 . . . . 0.0 112.98 -177.71 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -53.34 -25.1 13.84 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 113.451 0.908 . . . . 0.0 113.451 -178.562 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.58 -10.38 59.47 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 119.815 1.189 . . . . 0.0 112.683 -179.719 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -107.58 142.38 37.59 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-O 122.413 1.101 . . . . 0.0 108.577 -178.607 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 86.7 p -77.91 171.19 15.36 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 126.792 2.037 . . . . 0.0 109.616 178.919 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.7 p-10 -57.58 -39.53 76.98 Favored 'General case' 0 CA--C 1.534 0.363 0 O-C-N 121.838 -0.539 . . . . 0.0 109.944 177.429 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.2 tm-20 -66.77 -51.36 56.72 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.226 1.01 . . . . 0.0 109.401 179.593 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -58.69 -45.95 88.34 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 122.066 -0.396 . . . . 0.0 110.273 179.716 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 55.6 mt -59.16 -42.69 91.35 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 178.175 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -61.86 -40.22 94.62 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.851 -0.53 . . . . 0.0 109.586 178.21 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.95 -46.43 84.71 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 179.487 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.484 HD21 ' N ' ' A' ' 7' ' ' TYR . 13.1 mt -56.56 -51.51 68.3 Favored 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 178.113 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.44 -40.34 90.74 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 118.876 -0.583 . . . . 0.0 109.964 -179.21 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -56.43 -48.42 77.04 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 177.726 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -59.78 -59.6 5.18 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 178.285 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.41 ' O ' ' HB2' ' A' ' 79' ' ' LEU . 70.8 mtm -52.16 -32.71 37.14 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 178.232 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.5 t -70.71 -12.16 61.38 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 120.348 -1.47 . . . . 0.0 111.516 179.727 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -114.74 24.94 11.37 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.99 1.716 . . . . 0.0 108.088 177.61 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.512 HD21 ' HA3' ' A' ' 18' ' ' GLY . 13.7 tp . . . . . 0 C--O 1.253 1.251 0 C-N-CA 125.314 1.446 . . . . 0.0 109.821 -179.36 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 80' ' ' HEM . . . . . 0.438 HAD1 ' CB ' ' A' ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.664 0 N-CA-C 107.537 -1.283 . . . . 0.0 107.537 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -82.27 86.83 6.6 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 -179.866 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -45.43 -52.89 8.5 Favored Glycine 0 CA--C 1.528 0.851 0 C-N-CA 123.949 0.785 . . . . 0.0 112.039 -179.652 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.25 -31.43 43.4 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.578 0.751 . . . . 0.0 112.77 179.382 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.95 -22.97 33.63 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 119.152 -0.452 . . . . 0.0 110.347 -178.745 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.438 ' CB ' HD13 ' A' ' 72' ' ' LEU . 10.9 mt -85.43 -27.51 25.7 Favored 'General case' 0 N--CA 1.437 -1.101 0 N-CA-C 105.61 -1.996 . . . . 0.0 105.61 -179.777 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.446 ' CE1' ' SD ' ' A' ' 76' ' ' MET . 0.6 OUTLIER -74.11 -12.9 60.73 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 178.067 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.4 tptt -50.62 -43.5 56.93 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.689 0.796 . . . . 0.0 112.983 -177.973 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 p -69.03 -19.86 64.12 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.672 1.189 . . . . 0.0 112.909 -179.899 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.5 m -90.59 -38.74 12.95 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 126.861 2.064 . . . . 0.0 109.728 -176.398 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -46.54 -30.91 1.37 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 C-N-CA 125.955 1.702 . . . . 0.0 110.747 178.676 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -56.2 -47.94 78.06 Favored Glycine 0 CA--C 1.535 1.339 0 O-C-N 121.533 -0.73 . . . . 0.0 111.763 177.698 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.6 m -86.15 -42.7 13.64 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 117.902 0.851 . . . . 0.0 110.533 -179.518 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 56.5 m-70 -80.21 -11.69 59.71 Favored 'General case' 0 N--CA 1.431 -1.411 0 N-CA-C 115.437 1.643 . . . . 0.0 115.437 -175.762 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 84.35 154.42 20.05 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 110.306 -1.117 . . . . 0.0 110.306 -179.225 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -32.89 -57.8 0.37 Allowed 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 126.897 2.079 . . . . 0.0 113.512 -178.433 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -109.72 38.51 2.35 Favored 'General case' 0 N--CA 1.436 -1.17 0 C-N-CA 126.172 1.789 . . . . 0.0 111.844 -179.215 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 52.8 29.7 34.38 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 124.26 0.933 . . . . 0.0 114.558 178.143 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.0 p -90.14 -30.73 17.45 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 126.688 1.995 . . . . 0.0 113.246 -177.361 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -72.9 125.53 27.8 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 -178.246 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.36 84.12 0.79 Allowed 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 107.079 -1.452 . . . . 0.0 107.079 178.398 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -38.9 126.21 1.54 Allowed 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 125.636 1.574 . . . . 0.0 114.986 -176.098 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 88.4 mmm 23.68 -76.74 0.0 OUTLIER 'General case' 0 C--N 1.342 0.249 1 C-N-CA 131.822 4.049 . . . . 0.0 115.099 178.336 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -51.27 -40.39 45.15 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 110.627 -0.989 . . . . 0.0 110.627 178.929 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 43.8 t 126.25 55.75 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 130.962 3.705 . . . . 0.0 107.115 179.612 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.06 133.53 48.76 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 113.596 0.961 . . . . 0.0 113.596 -178.908 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -61.57 114.32 10.72 Favored Pre-proline 0 CA--C 1.54 0.589 0 N-CA-C 101.904 -3.369 . . . . 0.0 101.904 172.589 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo -29.82 114.84 0.05 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 124.568 3.512 . . . . 0.0 113.504 -174.801 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.0 m -63.06 -19.81 24.44 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 179.301 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.493 ' HA ' HD23 ' A' ' 79' ' ' LEU . 47.9 tttp -59.85 98.6 0.05 Allowed 'General case' 0 CA--C 1.513 -0.443 0 CA-C-O 122.303 1.049 . . . . 0.0 110.3 175.567 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 112.11 -7.41 27.12 Favored Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 113.037 -1.892 . . . . 0.0 112.027 177.874 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -63.36 145.45 55.56 Favored 'General case' 0 N--CA 1.442 -0.86 0 N-CA-C 105.318 -2.105 . . . . 0.0 105.318 176.582 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.1 145.38 33.4 Favored Glycine 0 CA--C 1.527 0.818 0 O-C-N 120.826 -1.172 . . . . 0.0 113.603 -175.114 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.32 -49.08 24.88 Favored 'General case' 0 C--N 1.34 0.158 0 CA-C-N 120.004 1.902 . . . . 0.0 111.204 179.297 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -56.73 -48.17 78.35 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 109.011 -0.736 . . . . 0.0 109.011 179.178 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -55.84 -65.87 0.52 Allowed 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 178.76 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.9 mt -48.23 -41.51 27.7 Favored 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 125.416 1.486 . . . . 0.0 111.82 -179.294 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -72.88 -40.13 65.86 Favored 'General case' 0 N--CA 1.449 -0.524 0 O-C-N 121.533 -0.73 . . . . 0.0 110.863 -178.163 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.9 tttp -64.36 -42.76 96.04 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 179.024 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 24.9 mmtp -62.48 -52.93 61.54 Favored 'General case' 0 N--CA 1.439 -1.002 0 C-N-CA 124.676 1.19 . . . . 0.0 109.511 -179.442 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 69.1 mtm -64.81 -39.33 93.42 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 117.948 -1.025 . . . . 0.0 111.173 179.711 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.3 tttp -59.09 -44.1 91.88 Favored 'General case' 0 CA--C 1.528 0.107 0 N-CA-C 106.973 -1.492 . . . . 0.0 106.973 177.068 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.47 -45.16 93.32 Favored Glycine 0 CA--C 1.532 1.129 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 177.522 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -74.02 -30.43 62.44 Favored 'General case' 0 C--O 1.225 -0.202 0 O-C-N 121.386 -1.067 . . . . 0.0 112.143 179.705 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -46.69 -52.98 12.66 Favored 'General case' 0 N--CA 1.462 0.132 0 C-N-CA 125.375 1.47 . . . . 0.0 108.148 -179.773 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -86.19 -40.12 15.93 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 176.613 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.77 27.7 4.24 Favored Glycine 0 CA--C 1.528 0.876 0 C-N-CA 124.495 1.045 . . . . 0.0 113.598 178.052 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.5 p -80.78 -46.88 14.72 Favored 'General case' 0 N--CA 1.426 -1.656 0 C-N-CA 125.29 1.436 . . . . 0.0 109.082 179.172 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -72.59 150.25 43.26 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 178.83 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -119.95 -172.59 14.96 Favored Glycine 0 C--N 1.335 0.511 0 CA-C-O 121.727 0.626 . . . . 0.0 114.003 -178.036 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 159.46 172.53 26.72 Favored Glycine 0 N--CA 1.424 -2.1 0 C-N-CA 127.856 2.646 . . . . 0.0 108.694 -178.419 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -53.41 -32.8 51.26 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 126.657 1.983 . . . . 0.0 111.946 -179.36 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 88.4 mmt-85 -128.59 35.51 4.36 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 123.771 0.828 . . . . 0.0 109.939 179.295 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.86 -37.04 63.25 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -178.257 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.59 -53.22 59.2 Favored 'General case' 0 C--O 1.233 0.2 0 O-C-N 121.954 -0.466 . . . . 0.0 110.12 -179.288 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 26.2 mmt -58.58 -44.42 89.8 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 178.971 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 28.8 mmm -56.54 -56.4 21.78 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 122.808 0.443 . . . . 0.0 110.794 179.309 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 17.8 m -52.44 -50.52 62.43 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 178.236 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -56.64 -35.69 68.65 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 121.512 -0.075 . . . . 0.0 111.013 178.798 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.7 -43.89 62.45 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 123.607 0.763 . . . . 0.0 112.411 -179.087 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.5 m -93.27 -23.7 5.38 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 -174.342 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -50.49 -33.23 20.58 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 120.319 1.418 . . . . 0.0 113.45 -176.521 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 41.4 pttt -69.22 -11.95 61.25 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 112.74 0.644 . . . . 0.0 112.74 -179.866 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 17.4 m-30 -103.11 139.72 38.26 Favored 'General case' 0 N--CA 1.436 -1.157 0 C-N-CA 124.965 1.306 . . . . 0.0 108.423 -179.836 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 77.6 p -82.52 168.49 17.34 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 126.448 1.899 . . . . 0.0 109.638 179.371 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -52.8 -39.61 62.52 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.576 0.75 . . . . 0.0 111.837 179.213 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.2 tm-20 -66.2 -51.94 52.85 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.972 0.909 . . . . 0.0 109.377 179.594 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -57.16 -50.4 72.95 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 179.355 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 37.5 mt -55.55 -44.36 76.71 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 124.386 1.074 . . . . 0.0 110.066 178.682 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -60.9 -45.47 94.51 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.63 -0.508 . . . . 0.0 109.63 179.386 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.94 -43.52 98.56 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 179.813 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.492 HD21 HMB3 ' A' ' 80' ' ' HEM . 13.8 tp -57.71 -51.77 68.19 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 124.003 0.921 . . . . 0.0 109.922 -179.7 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.16 -46.21 88.25 Favored 'General case' 0 C--N 1.34 0.18 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.542 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -51.72 -48.53 63.56 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 179.093 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 32.1 t80 -59.93 -61.82 2.33 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 177.906 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.446 ' SD ' ' CE1' ' A' ' 7' ' ' TYR . 66.7 mtm -48.6 -30.55 5.48 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 114.065 1.135 . . . . 0.0 114.065 179.41 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.7 t -60.69 -32.33 71.56 Favored 'General case' 0 CA--C 1.534 0.338 0 O-C-N 121.481 -0.762 . . . . 0.0 110.302 179.615 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.5 tptp -89.67 -46.14 8.84 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 106.968 -1.493 . . . . 0.0 106.968 175.621 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.493 HD23 ' HA ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.254 1.305 0 C-N-CA 128.32 2.648 . . . . 0.0 109.587 -178.725 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 80' ' ' HEM . . . . . 0.492 HMB3 HD21 ' A' ' 72' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.764 0 N-CA-C 106.921 -1.511 . . . . 0.0 106.921 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -63.69 153.43 36.19 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 107.61 -1.255 . . . . 0.0 107.61 177.065 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 76.95 80.47 0.63 Allowed Glycine 0 N--CA 1.429 -1.832 1 N-CA-C 100.047 -5.221 . . . . 0.0 100.047 -171.008 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 123.1 -45.62 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 131.44 3.896 . . . . 0.0 106.893 -174.187 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.5 -36.93 71.27 Favored 'General case' 0 C--N 1.346 0.43 0 C-N-CA 118.304 -1.358 . . . . 0.0 111.54 -177.619 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.459 ' CB ' HD21 ' A' ' 72' ' ' LEU . 14.8 mt -75.3 -37.32 60.89 Favored 'General case' 0 N--CA 1.443 -0.785 0 C-N-CA 117.275 -1.77 . . . . 0.0 109.747 -178.864 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.457 ' HD1' HD22 ' A' ' 72' ' ' LEU . 1.3 t80 -59.02 -17.84 29.01 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 -177.058 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -51.63 -38.06 53.0 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 118.855 0.752 . . . . 0.0 111.112 176.506 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 55.5 p -68.79 -14.85 63.28 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -179.651 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.7 m -100.12 -37.18 9.06 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 126.894 2.077 . . . . 0.0 110.23 -174.903 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.1 mp -47.55 -29.68 1.78 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 C-N-CA 125.456 1.502 . . . . 0.0 109.647 176.745 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -54.0 -46.05 70.23 Favored Glycine 0 CA--C 1.536 1.375 0 O-C-N 121.663 -0.648 . . . . 0.0 112.06 177.088 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.4 m -91.73 -45.06 8.64 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 118.335 1.067 . . . . 0.0 110.356 179.832 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -77.21 -15.14 59.62 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 -175.832 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.2 156.76 26.88 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 110.175 -1.17 . . . . 0.0 110.175 -178.652 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -36.02 -58.83 0.64 Allowed 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 126.218 1.807 . . . . 0.0 112.996 -178.833 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.1 p-10 -98.67 33.46 2.28 Favored 'General case' 0 N--CA 1.44 -0.938 0 C-N-CA 126.228 1.811 . . . . 0.0 112.272 -178.767 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 42.6 40.77 3.96 Favored Glycine 0 CA--C 1.533 1.165 0 C-N-CA 125.086 1.327 . . . . 0.0 114.121 178.839 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.8 p -94.83 -34.67 12.38 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 126.981 2.113 . . . . 0.0 113.642 -176.633 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -66.78 134.57 52.42 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-O 121.261 0.553 . . . . 0.0 110.324 -177.407 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.79 77.09 2.73 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 105.679 -1.971 . . . . 0.0 105.679 176.346 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -35.48 122.92 0.64 Allowed 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 126.199 1.8 . . . . 0.0 114.677 -175.945 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.4 mmt 21.62 -68.74 0.0 OUTLIER 'General case' 0 C--N 1.344 0.334 1 C-N-CA 132.469 4.307 . . . . 0.0 115.563 177.906 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.22 -25.35 39.67 Favored Glycine 0 CA--C 1.529 0.958 0 C-N-CA 123.554 0.597 . . . . 0.0 111.818 178.235 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.3 m 106.74 56.38 0.0 OUTLIER 'General case' 0 C--N 1.334 -0.067 0 C-N-CA 131.288 3.835 . . . . 0.0 106.358 -179.402 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.414 ' CB ' HAD1 ' A' ' 80' ' ' HEM . . . -60.02 144.77 48.52 Favored 'General case' 0 N--CA 1.443 -0.792 0 N-CA-C 116.474 2.027 . . . . 0.0 116.474 -177.306 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.8 pttm -70.79 114.46 27.01 Favored Pre-proline 0 CA--C 1.543 0.688 0 N-CA-C 101.438 -3.542 . . . . 0.0 101.438 171.104 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -31.7 117.57 0.07 OUTLIER 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 124.579 3.519 . . . . 0.0 113.75 -175.626 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 17.3 m -67.35 -22.01 28.44 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 C-N-CA 119.375 -0.93 . . . . 0.0 108.913 -179.49 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.708 ' HA ' HD23 ' A' ' 79' ' ' LEU . 23.7 ttpp -60.03 106.75 0.54 Allowed 'General case' 0 CA--C 1.515 -0.401 0 CA-C-O 122.115 0.959 . . . . 0.0 110.479 176.305 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 105.85 -4.76 39.37 Favored Glycine 0 N--CA 1.448 -0.538 0 CA-C-N 113.289 -1.778 . . . . 0.0 111.731 177.787 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -64.34 146.21 54.78 Favored 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 105.877 -1.897 . . . . 0.0 105.877 177.202 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -76.41 142.94 28.8 Favored Glycine 0 CA--C 1.528 0.846 0 O-C-N 120.865 -1.147 . . . . 0.0 113.695 -175.25 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -46.1 -47.6 17.27 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 119.688 1.744 . . . . 0.0 111.852 179.638 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.3 tm-20 -60.0 -45.09 93.9 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 179.527 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 57.3 tt0 -58.92 -62.85 1.57 Allowed 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.74 1.216 . . . . 0.0 107.98 179.419 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 50.8 mt -45.58 -49.53 13.96 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 126.959 2.103 . . . . 0.0 109.744 179.625 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -65.1 -53.45 45.15 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 123.098 0.559 . . . . 0.0 112.395 -179.925 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.7 tttp -57.38 -41.19 79.71 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 121.533 0.682 . . . . 0.0 109.759 -178.082 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp -68.88 -51.36 41.03 Favored 'General case' 0 N--CA 1.435 -1.204 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.3 -178.647 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 65.6 mtm -62.21 -35.19 78.12 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 118.575 -0.726 . . . . 0.0 110.303 178.989 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -61.05 -45.54 94.34 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 106.864 -1.532 . . . . 0.0 106.864 177.536 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.26 -47.88 84.45 Favored Glycine 0 CA--C 1.534 1.258 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 176.956 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -63.42 -42.21 98.72 Favored 'General case' 0 C--N 1.343 0.289 0 CA-C-N 118.44 1.12 . . . . 0.0 109.467 179.207 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.27 -46.15 76.12 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 125.273 1.429 . . . . 0.0 108.559 179.388 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -72.61 -19.8 61.4 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.833 0.853 . . . . 0.0 111.177 179.826 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.9 -14.1 33.7 Favored Glycine 0 CA--C 1.53 0.979 0 CA-C-N 118.801 0.728 . . . . 0.0 113.544 179.651 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.75 -40.3 79.85 Favored 'General case' 0 N--CA 1.432 -1.364 0 C-N-CA 125.522 1.529 . . . . 0.0 110.926 -179.345 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -88.18 109.55 19.99 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 178.979 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 178.21 -175.72 47.61 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 119.668 -1.254 . . . . 0.0 113.721 177.121 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.565 ' H ' ' HB2' ' A' ' 54' ' ' LYS . . . -168.0 -169.8 31.95 Favored Glycine 0 N--CA 1.427 -1.921 1 C-N-CA 133.604 5.383 . . . . 0.0 107.505 -177.84 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -56.08 -61.28 2.49 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 124.531 1.133 . . . . 0.0 112.074 -178.025 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.34 -44.54 84.36 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 122.544 1.164 . . . . 0.0 109.405 -178.923 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.565 ' HB2' ' H ' ' A' ' 51' ' ' GLY . 64.9 mttm -62.64 -13.55 33.09 Favored 'General case' 0 N--CA 1.438 -1.067 0 C-N-CA 129.168 2.987 . . . . 0.0 112.556 178.182 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.01 -42.31 76.61 Favored 'General case' 0 C--N 1.34 0.155 0 O-C-N 120.788 -1.195 . . . . 0.0 107.865 178.495 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 88.6 mmm -58.31 -44.74 88.73 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 177.777 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 33.0 mmm -56.44 -56.27 23.3 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.199 178.307 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.2 m -52.03 -49.34 63.6 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 178.273 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.06 -37.5 71.92 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 118.064 0.393 . . . . 0.0 110.43 179.001 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.57 -44.88 66.47 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.487 0.715 . . . . 0.0 112.675 -178.868 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.4 m -92.46 -24.58 5.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 N-CA-C 113.695 0.998 . . . . 0.0 113.695 -174.339 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.4 ttmt -52.11 -28.37 17.51 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 119.895 1.225 . . . . 0.0 113.474 -176.305 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -69.33 -16.11 63.47 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 118.469 0.577 . . . . 0.0 112.196 179.078 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.422 ' CE1' HD22 ' A' ' 6' ' ' LEU . 20.8 m-85 -91.28 -168.82 2.15 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 125.77 1.628 . . . . 0.0 109.358 179.623 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 26.7 m -159.83 161.61 34.55 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 127.361 2.265 . . . . 0.0 106.94 -178.81 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -31.31 -48.14 0.12 Allowed 'General case' 0 C--O 1.224 -0.279 0 C-N-CA 126.654 1.982 . . . . 0.0 115.05 -177.171 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 31.3 tp10 -61.17 -52.87 63.02 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 119.152 0.887 . . . . 0.0 110.751 -179.792 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.3 mp0 -65.14 -43.23 92.56 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 124.169 0.988 . . . . 0.0 109.597 -179.683 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 76.6 mt -60.08 -44.1 95.03 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 178.523 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -61.88 -45.21 94.76 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 177.763 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.45 -47.91 82.45 Favored 'General case' 0 C--N 1.339 0.151 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 178.948 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.459 HD21 ' CB ' ' A' ' 6' ' ' LEU . 16.2 mt -58.76 -52.49 65.5 Favored 'General case' 0 N--CA 1.447 -0.622 0 O-C-N 122.002 -0.436 . . . . 0.0 111.571 179.488 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.54 -43.52 97.1 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 -178.566 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -54.85 -44.95 74.44 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 177.969 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -61.43 -66.75 0.49 Allowed 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 178.17 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.538 ' HA ' HD22 ' A' ' 79' ' ' LEU . 54.6 mtm -46.78 -34.73 5.51 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 179.104 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.8 t -58.48 -36.8 74.31 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 118.617 -0.706 . . . . 0.0 110.261 -179.091 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.8 ptmm? -91.95 -35.08 14.2 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 175.944 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.708 HD23 ' HA ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.254 1.298 0 C-N-CA 130.184 3.394 . . . . 0.0 108.639 -178.414 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 80' ' ' HEM . . . . . 0.414 HAD1 ' CB ' ' A' ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_