data_2n8d_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 2n8d _Structure_validation_residue.Date_analyzed 2017-01-13 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 ' 8' ' ' VAL . . . . . . . . . . . . . 93.9 t . . . . . 0 N--CA 1.464 0.243 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -63.84 -8.79 11.94 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 118.976 0.807 . . . . 0.0 112.453 -178.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 50.4 pttt -66.09 -21.1 66.35 Favored 'General case' 0 CA--C 1.528 0.11 0 CA-C-N 118.456 0.571 . . . . 0.0 110.221 174.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 63.2 tp -98.34 -40.53 8.27 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 122.774 0.43 . . . . 0.0 110.086 175.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 p -67.42 -24.62 65.67 Favored 'General case' 0 C--N 1.338 0.084 0 N-CA-C 114.587 1.329 . . . . 0.0 114.587 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -70.49 -30.3 67.05 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 117.929 0.331 . . . . 0.0 110.654 176.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.45 -38.75 40.46 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 176.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 84.0 mt -67.21 -30.23 48.58 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 179.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 70.0 tp -63.39 -22.84 67.12 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 122.833 0.453 . . . . 0.0 111.233 179.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -89.77 -19.92 24.15 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 122.595 0.358 . . . . 0.0 111.181 177.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 74.0 t . . . . . 0 C--O 1.231 0.096 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 -178.822 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 86.7 t . . . . . 0 N--CA 1.464 0.227 0 CA-C-O 119.943 -0.075 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.68 -5.73 6.34 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.521 -0.737 . . . . 0.0 112.964 -178.061 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 50.9 pttt -72.31 -23.27 61.14 Favored 'General case' 0 C--N 1.339 0.143 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 173.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 85.2 mt -88.7 -43.01 11.62 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 123.208 0.603 . . . . 0.0 109.82 175.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 p -67.47 -27.65 67.2 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 114.461 1.282 . . . . 0.0 114.461 -176.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -67.08 -29.59 69.39 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 117.77 0.259 . . . . 0.0 110.651 177.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.71 -28.77 45.12 Favored 'General case' 0 N--CA 1.456 -0.169 0 O-C-N 122.402 -0.186 . . . . 0.0 110.754 177.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 95.2 mt -72.53 -34.15 47.24 Favored 'Isoleucine or valine' 0 C--N 1.339 0.141 0 O-C-N 122.364 -0.21 . . . . 0.0 110.471 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 97.9 mt -66.1 -19.49 65.86 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 118.074 0.397 . . . . 0.0 111.031 178.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.92 -28.5 32.78 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 117.762 0.256 . . . . 0.0 110.547 175.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 77.1 t . . . . . 0 CA--C 1.53 0.174 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 179.713 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 98.9 t . . . . . 0 CA--C 1.53 0.182 0 N-CA-C 110.654 -0.128 . . . . 0.0 110.654 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -62.82 -13.4 33.05 Favored 'General case' 0 C--N 1.34 0.164 0 O-C-N 121.895 -0.503 . . . . 0.0 111.49 179.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 49.9 pttt -68.07 -27.1 66.21 Favored 'General case' 0 C--N 1.342 0.245 0 CA-C-N 118.493 0.588 . . . . 0.0 110.389 178.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 65.2 tp -84.08 -39.24 19.8 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 176.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.7 p -66.8 -27.49 67.61 Favored 'General case' 0 C--N 1.333 -0.138 0 N-CA-C 114.026 1.121 . . . . 0.0 114.026 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -63.27 -29.23 70.6 Favored 'General case' 0 C--N 1.34 0.155 0 CA-C-O 120.426 0.155 . . . . 0.0 110.621 177.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.94 -28.93 23.98 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 122.374 0.27 . . . . 0.0 110.95 177.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 84.6 mt -74.58 -36.23 40.48 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 CA-C-N 117.956 0.344 . . . . 0.0 110.747 -179.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.1 mp -67.53 -20.67 65.46 Favored 'General case' 0 CA--C 1.527 0.095 0 O-C-N 121.985 -0.447 . . . . 0.0 109.8 178.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.99 -30.08 44.14 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 118.005 0.366 . . . . 0.0 110.519 175.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.5 t . . . . . 0 CA--C 1.529 0.155 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 177.722 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.9 t . . . . . 0 N--CA 1.463 0.201 0 N-CA-C 111.979 0.362 . . . . 0.0 111.979 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -65.94 -7.4 16.53 Favored 'General case' 0 C--N 1.339 0.122 0 CA-C-N 119.19 0.905 . . . . 0.0 112.298 -177.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 49.5 pttt -68.5 -22.76 64.52 Favored 'General case' 0 N--CA 1.457 -0.116 0 CA-C-N 118.942 0.792 . . . . 0.0 109.546 174.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 88.8 mt -88.97 -43.37 11.19 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.263 0.625 . . . . 0.0 109.444 174.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 p -69.99 -30.68 68.07 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 114.871 1.434 . . . . 0.0 114.871 -175.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -64.86 -23.96 67.39 Favored 'General case' 0 C--N 1.34 0.181 0 CA-C-N 118.123 0.42 . . . . 0.0 110.618 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -82.56 -29.11 30.53 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 117.589 0.177 . . . . 0.0 110.679 176.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 96.0 mt -73.48 -35.33 45.14 Favored 'Isoleucine or valine' 0 C--N 1.339 0.12 0 O-C-N 122.319 -0.238 . . . . 0.0 110.661 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.0 mp -67.14 -17.18 64.74 Favored 'General case' 0 CA--C 1.529 0.161 0 O-C-N 122.097 -0.377 . . . . 0.0 110.51 178.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.08 -20.74 28.3 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 118.039 0.381 . . . . 0.0 110.957 175.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.0 t . . . . . 0 CA--C 1.531 0.212 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.855 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.0 t . . . . . 0 C--O 1.227 -0.126 0 N-CA-C 114.225 1.195 . . . . 0.0 114.225 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -64.16 -12.56 41.19 Favored 'General case' 0 C--O 1.232 0.136 0 O-C-N 121.454 -0.779 . . . . 0.0 112.064 -176.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 52.8 pttt -67.39 -23.29 65.56 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 118.342 0.519 . . . . 0.0 109.763 176.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 71.9 mt -89.08 -43.97 10.69 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 174.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.4 p -69.31 -27.84 65.74 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 114.846 1.424 . . . . 0.0 114.846 -176.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -62.29 -30.68 71.31 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 117.999 0.363 . . . . 0.0 110.553 179.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.7 -27.5 45.0 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 122.279 0.231 . . . . 0.0 110.729 176.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 88.7 mt -76.72 -36.26 26.54 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.089 0 CA-C-N 117.698 0.226 . . . . 0.0 110.822 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -67.43 -17.06 64.56 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 121.936 -0.477 . . . . 0.0 110.417 177.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.43 -22.62 32.6 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 117.804 0.274 . . . . 0.0 110.757 175.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.7 t . . . . . 0 C--O 1.232 0.167 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 179.207 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.6 t . . . . . 0 N--CA 1.456 -0.131 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 35.5 mtmm -64.04 -14.36 53.75 Favored 'General case' 0 C--N 1.34 0.189 0 CA-C-N 119.062 0.846 . . . . 0.0 111.057 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.6 tmmm? -63.93 -25.91 68.36 Favored 'General case' 0 CA--C 1.527 0.068 0 C-N-CA 122.973 0.509 . . . . 0.0 110.253 174.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 93.4 mt -88.21 -45.14 10.33 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 173.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.4 p -67.86 -27.91 67.09 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 115.104 1.52 . . . . 0.0 115.104 -175.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -63.33 -30.0 71.21 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 118.04 0.382 . . . . 0.0 110.685 178.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -82.49 -31.1 29.48 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 122.156 0.182 . . . . 0.0 111.086 177.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 91.5 mt -75.61 -37.26 36.29 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.038 0 O-C-N 122.286 -0.259 . . . . 0.0 110.996 -178.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.2 mt -66.84 -16.97 64.65 Favored 'General case' 0 CA--C 1.528 0.127 0 O-C-N 122.042 -0.412 . . . . 0.0 110.865 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.68 -28.44 30.62 Favored 'General case' 0 N--CA 1.452 -0.326 0 O-C-N 122.202 -0.311 . . . . 0.0 110.365 174.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 57.9 t . . . . . 0 C--N 1.339 0.15 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 179.885 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 93.0 t . . . . . 0 CA--C 1.528 0.131 0 CA-C-O 119.285 -0.388 . . . . 0.0 111.53 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -61.19 -14.74 27.57 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 119.26 0.936 . . . . 0.0 112.283 -177.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.4 pttt -65.76 -22.96 66.63 Favored 'General case' 0 C--N 1.338 0.102 0 CA-C-N 118.671 0.669 . . . . 0.0 110.254 176.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 78.3 mt -88.78 -40.43 13.2 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 122.805 0.442 . . . . 0.0 109.962 174.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 p -69.15 -31.36 69.96 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 114.938 1.459 . . . . 0.0 114.938 -175.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -63.6 -26.56 68.74 Favored 'General case' 0 CA--C 1.526 0.049 0 CA-C-N 118.126 0.421 . . . . 0.0 111.343 177.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.85 -23.36 31.38 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 121.984 0.114 . . . . 0.0 111.265 176.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 60.1 mt -81.41 -38.19 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 CA-C-O 119.387 -0.34 . . . . 0.0 110.804 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.5 mp -66.92 -18.66 65.49 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 118.024 0.375 . . . . 0.0 110.391 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.45 -20.79 42.99 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 122.337 0.255 . . . . 0.0 110.729 175.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 62.1 t . . . . . 0 N--CA 1.456 -0.163 0 C-N-CA 123.007 0.523 . . . . 0.0 110.653 -178.826 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.2 t . . . . . 0 N--CA 1.461 0.095 0 N-CA-C 114.212 1.19 . . . . 0.0 114.212 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -63.59 -10.73 19.92 Favored 'General case' 0 CA--C 1.53 0.18 0 O-C-N 121.521 -0.737 . . . . 0.0 110.609 177.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -61.77 -32.45 72.71 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 123.487 0.715 . . . . 0.0 110.544 174.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -85.65 -39.45 17.27 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 177.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 p -73.05 -27.2 61.6 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 115.002 1.482 . . . . 0.0 115.002 -177.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -64.27 -30.64 71.68 Favored 'General case' 0 N--CA 1.457 -0.117 0 O-C-N 122.002 -0.437 . . . . 0.0 110.067 178.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.29 -29.53 47.92 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 119.828 -0.129 . . . . 0.0 110.843 177.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 95.7 mt -76.96 -36.31 25.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 CA-C-N 118.023 0.374 . . . . 0.0 110.772 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 87.2 mt -66.21 -20.44 66.13 Favored 'General case' 0 N--CA 1.455 -0.219 0 O-C-N 122.096 -0.377 . . . . 0.0 110.648 179.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.62 -30.99 41.59 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 117.87 0.304 . . . . 0.0 110.663 174.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 63.7 t . . . . . 0 C--N 1.339 0.137 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 178.767 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.7 t . . . . . 0 N--CA 1.462 0.158 0 N-CA-C 110.613 -0.143 . . . . 0.0 110.613 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -62.23 -13.05 23.97 Favored 'General case' 0 CA--C 1.531 0.25 0 O-C-N 121.612 -0.68 . . . . 0.0 111.731 178.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 50.0 pttt -69.02 -25.69 64.62 Favored 'General case' 0 C--N 1.338 0.108 0 CA-C-N 118.444 0.565 . . . . 0.0 110.342 178.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 65.0 tp -85.48 -39.43 17.48 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 176.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 p -65.89 -28.33 68.87 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 114.274 1.212 . . . . 0.0 114.274 179.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 58.6 tptt -63.57 -28.19 69.76 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 122.192 0.197 . . . . 0.0 110.531 176.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.47 -29.86 22.47 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 122.198 0.199 . . . . 0.0 111.05 177.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 82.3 mt -73.65 -36.98 48.49 Favored 'Isoleucine or valine' 0 C--N 1.339 0.137 0 O-C-N 122.25 -0.281 . . . . 0.0 111.213 -179.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.2 mp -67.83 -15.19 63.51 Favored 'General case' 0 CA--C 1.531 0.23 0 O-C-N 122.083 -0.386 . . . . 0.0 110.478 178.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.72 -21.73 28.13 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 118.022 0.374 . . . . 0.0 110.746 174.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 57.2 t . . . . . 0 CA--C 1.529 0.143 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 179.902 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.9 t . . . . . 0 C--O 1.23 0.064 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -62.87 -11.83 20.87 Favored 'General case' 0 C--O 1.226 -0.161 0 O-C-N 122.003 -0.436 . . . . 0.0 110.476 174.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -62.6 -31.62 72.49 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 123.998 0.919 . . . . 0.0 110.618 175.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -84.25 -38.03 21.0 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 177.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.4 p -74.9 -29.92 61.13 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 115.414 1.635 . . . . 0.0 115.414 -175.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -65.33 -24.11 67.18 Favored 'General case' 0 C--N 1.339 0.114 0 CA-C-N 118.481 0.582 . . . . 0.0 110.676 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.62 -31.44 32.42 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 122.188 0.195 . . . . 0.0 110.823 176.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 95.2 mt -75.85 -35.74 30.98 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.128 0 O-C-N 122.256 -0.277 . . . . 0.0 110.616 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.8 mt -67.2 -14.84 63.29 Favored 'General case' 0 N--CA 1.453 -0.292 0 O-C-N 121.937 -0.477 . . . . 0.0 111.136 178.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.84 -21.95 26.09 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 122.204 0.202 . . . . 0.0 110.788 174.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 63.1 t . . . . . 0 CA--C 1.53 0.174 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 -179.802 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.6 t . . . . . 0 N--CA 1.463 0.179 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -63.35 -13.05 35.07 Favored 'General case' 0 C--O 1.231 0.128 0 O-C-N 121.48 -0.762 . . . . 0.0 111.773 -177.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.3 pttt -68.16 -22.77 64.83 Favored 'General case' 0 C--N 1.339 0.117 0 CA-C-N 118.029 0.377 . . . . 0.0 110.47 176.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 63.7 tp -90.15 -40.56 12.15 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 175.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.4 p -66.95 -26.93 67.07 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 114.467 1.284 . . . . 0.0 114.467 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -62.84 -29.05 70.44 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 117.859 0.299 . . . . 0.0 110.565 176.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.27 -31.1 23.28 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 122.453 0.301 . . . . 0.0 111.022 176.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 92.6 mt -73.82 -37.4 48.36 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.053 0 CA-C-N 118.029 0.377 . . . . 0.0 111.203 -178.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.5 mp -67.29 -14.55 63.02 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 118.05 0.386 . . . . 0.0 110.65 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.53 -22.45 28.13 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 117.949 0.341 . . . . 0.0 110.858 174.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 69.6 t . . . . . 0 CA--C 1.53 0.184 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.992 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 25.9 t . . . . . 0 CA--C 1.531 0.231 0 N-CA-C 111.494 0.183 . . . . 0.0 111.494 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -62.11 -16.35 51.79 Favored 'General case' 0 C--N 1.341 0.225 0 O-C-N 121.93 -0.481 . . . . 0.0 110.719 176.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.401 ' HE2' ' HB3' ' A' ' 10' ' ' LYS . 3.9 tmmm? -67.16 -28.33 68.03 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 122.652 0.381 . . . . 0.0 110.373 176.033 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 70.0 tp -82.65 -37.76 24.45 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 175.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.6 p -65.52 -29.57 70.23 Favored 'General case' 0 CA--C 1.52 -0.196 0 N-CA-C 114.206 1.188 . . . . 0.0 114.206 178.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -62.41 -28.48 69.82 Favored 'General case' 0 C--O 1.23 0.065 0 O-C-N 122.189 -0.319 . . . . 0.0 110.3 178.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.99 -30.0 21.57 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 122.438 0.295 . . . . 0.0 111.576 176.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 85.0 mt -76.98 -38.59 28.43 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.104 0 O-C-N 122.058 -0.401 . . . . 0.0 111.344 -178.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.5 mp -67.79 -20.31 65.19 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.38 -21.45 53.2 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 117.807 0.276 . . . . 0.0 110.737 175.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.0 t . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 178.894 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 92.9 t . . . . . 0 N--CA 1.465 0.281 0 N-CA-C 110.835 -0.061 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 37.4 mtmm -63.21 -12.92 32.05 Favored 'General case' 0 CA--C 1.531 0.234 0 O-C-N 121.703 -0.623 . . . . 0.0 111.573 179.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 49.5 pttt -68.22 -25.13 65.06 Favored 'General case' 0 C--N 1.34 0.157 0 CA-C-N 118.253 0.479 . . . . 0.0 109.848 177.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 78.4 mt -84.38 -42.79 15.35 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 175.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 p -69.67 -29.28 66.7 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 114.406 1.261 . . . . 0.0 114.406 -175.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -61.28 -29.82 70.1 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 117.628 0.195 . . . . 0.0 110.571 179.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.32 -28.34 34.6 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 122.081 0.153 . . . . 0.0 110.895 177.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 86.0 mt -72.4 -34.61 49.29 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.084 0 CA-C-N 117.786 0.266 . . . . 0.0 110.747 -178.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.1 mp -66.81 -23.4 66.04 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 118.087 0.403 . . . . 0.0 110.057 177.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.66 -27.62 45.25 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 117.742 0.247 . . . . 0.0 110.588 177.209 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.9 t . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 178.234 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.2 t . . . . . 0 CA--C 1.528 0.122 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -62.16 -12.01 17.46 Favored 'General case' 0 CA--C 1.529 0.137 0 O-C-N 121.609 -0.682 . . . . 0.0 110.891 177.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -62.49 -31.63 72.41 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.704 0.802 . . . . 0.0 110.275 174.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -86.04 -39.81 16.42 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 122.937 0.495 . . . . 0.0 109.699 176.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 p -71.77 -27.82 63.22 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 115.053 1.501 . . . . 0.0 115.053 -177.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 58.1 tptt -62.91 -31.99 73.18 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 118.03 0.377 . . . . 0.0 110.312 178.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.56 -27.69 51.59 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 122.102 0.161 . . . . 0.0 111.295 176.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 86.2 mt -79.25 -38.76 20.42 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 O-C-N 122.155 -0.341 . . . . 0.0 111.054 -178.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.2 mp -67.28 -20.14 65.59 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.894 -0.504 . . . . 0.0 109.902 178.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.75 -31.89 57.38 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 117.816 0.28 . . . . 0.0 110.332 175.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 51.7 t . . . . . 0 N--CA 1.457 -0.106 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 177.506 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.6 t . . . . . 0 CA--C 1.527 0.078 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -62.38 -13.95 34.8 Favored 'General case' 0 CA--C 1.527 0.08 0 O-C-N 121.519 -0.738 . . . . 0.0 112.115 -176.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 52.3 pttt -67.83 -22.38 65.15 Favored 'General case' 0 C--N 1.339 0.136 0 CA-C-N 118.29 0.496 . . . . 0.0 110.518 176.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 64.6 tp -91.81 -39.17 11.91 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 175.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.4 p -67.63 -24.8 65.5 Favored 'General case' 0 CA--C 1.521 -0.153 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -65.64 -29.42 69.99 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 176.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.8 -31.44 23.89 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 122.279 0.232 . . . . 0.0 111.263 177.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 88.7 mt -73.13 -36.55 50.61 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.111 0 O-C-N 122.341 -0.224 . . . . 0.0 110.95 -179.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 76.4 mt -67.7 -15.27 63.55 Favored 'General case' 0 N--CA 1.454 -0.234 0 O-C-N 122.151 -0.343 . . . . 0.0 110.84 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.2 -22.79 26.75 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 117.933 0.333 . . . . 0.0 110.567 174.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.4 t . . . . . 0 CA--C 1.527 0.063 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 179.198 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 99.9 t . . . . . 0 CA--C 1.532 0.269 0 CA-C-O 119.803 -0.142 . . . . 0.0 111.293 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -59.4 -15.96 20.1 Favored 'General case' 0 C--N 1.343 0.285 0 O-C-N 121.114 -0.991 . . . . 0.0 110.614 175.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -60.14 -28.35 67.83 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 123.631 0.772 . . . . 0.0 110.655 175.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 66.4 tp -91.37 -36.79 13.62 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 176.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.4 p -67.42 -32.99 74.25 Favored 'General case' 0 C--O 1.227 -0.08 0 N-CA-C 114.63 1.345 . . . . 0.0 114.63 -179.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -66.9 -23.51 66.0 Favored 'General case' 0 C--N 1.339 0.139 0 CA-C-N 118.272 0.487 . . . . 0.0 111.102 176.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.27 -33.12 24.07 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 110.611 -0.144 . . . . 0.0 110.611 175.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 76.2 mt -73.52 -35.44 45.13 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 O-C-N 122.476 -0.14 . . . . 0.0 110.886 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 74.7 mt -67.12 -15.16 63.54 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 122.192 -0.317 . . . . 0.0 111.022 179.044 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.61 -22.82 24.53 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 122.341 0.256 . . . . 0.0 110.731 175.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 64.7 t . . . . . 0 CA--C 1.529 0.142 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 179.304 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.4 t . . . . . 0 CA--C 1.533 0.31 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -64.61 -8.02 12.68 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 118.982 0.81 . . . . 0.0 112.501 -177.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 48.8 pttt -68.94 -22.14 64.16 Favored 'General case' 0 C--O 1.226 -0.139 0 CA-C-N 118.643 0.656 . . . . 0.0 110.057 175.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 63.9 tp -91.41 -40.38 11.46 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 174.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.4 p -65.63 -33.5 76.05 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 114.403 1.26 . . . . 0.0 114.403 -178.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.28 -19.02 65.7 Favored 'General case' 0 N--CA 1.457 -0.094 0 CA-C-N 118.282 0.492 . . . . 0.0 110.697 178.43 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.95 -24.24 18.46 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 122.374 0.27 . . . . 0.0 110.579 174.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 58.9 mt -73.58 -35.84 45.85 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 O-C-N 122.123 -0.361 . . . . 0.0 110.682 178.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.02 -18.02 64.94 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 118.273 0.488 . . . . 0.0 110.36 178.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.83 -10.74 41.61 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 111.884 0.328 . . . . 0.0 111.884 177.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 82.4 t . . . . . 0 C--O 1.232 0.153 0 N-CA-C 112.111 0.412 . . . . 0.0 112.111 -174.961 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 82.9 t . . . . . 0 CA--C 1.531 0.24 0 CA-C-O 119.772 -0.156 . . . . 0.0 110.738 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -62.73 -13.8 37.0 Favored 'General case' 0 CA--C 1.53 0.194 0 O-C-N 121.682 -0.636 . . . . 0.0 111.683 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 49.9 pttt -67.46 -24.46 65.62 Favored 'General case' 0 CA--C 1.528 0.106 0 CA-C-N 118.491 0.587 . . . . 0.0 110.014 177.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.9 mt -85.53 -42.6 14.26 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 122.992 0.517 . . . . 0.0 109.613 175.17 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.4 p -70.28 -27.77 64.68 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 114.595 1.331 . . . . 0.0 114.595 -176.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -64.05 -30.21 71.3 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 110.533 -0.173 . . . . 0.0 110.533 179.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.9 -28.52 39.83 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 122.207 0.203 . . . . 0.0 110.876 177.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 94.9 mt -74.85 -35.92 37.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 O-C-N 122.176 -0.328 . . . . 0.0 110.578 -179.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 91.3 mt -67.39 -15.02 63.44 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 122.287 -0.258 . . . . 0.0 111.067 179.173 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.61 -23.19 25.83 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 122.324 0.249 . . . . 0.0 110.364 175.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.1 t . . . . . 0 C--O 1.23 0.055 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 -179.303 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.5 t . . . . . 0 CA--C 1.532 0.269 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 36.2 mtmm -63.27 -13.58 39.84 Favored 'General case' 0 N--CA 1.462 0.144 0 O-C-N 121.392 -0.817 . . . . 0.0 111.856 -177.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 53.0 pttt -67.85 -23.21 65.12 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 118.22 0.464 . . . . 0.0 110.354 177.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 69.1 tp -89.8 -39.72 12.93 Favored 'General case' 0 N--CA 1.457 -0.124 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 175.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 p -68.19 -27.56 66.5 Favored 'General case' 0 CA--C 1.52 -0.182 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 -179.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 58.4 tptt -62.39 -29.89 70.81 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 177.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.9 -34.96 24.42 Favored 'General case' 0 N--CA 1.456 -0.172 0 O-C-N 122.428 -0.17 . . . . 0.0 110.937 176.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 88.0 mt -69.74 -34.25 60.0 Favored 'Isoleucine or valine' 0 C--O 1.231 0.114 0 CA-C-N 118.031 0.378 . . . . 0.0 111.438 -178.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.9 mp -69.1 -16.85 63.77 Favored 'General case' 0 CA--C 1.531 0.216 0 O-C-N 121.895 -0.503 . . . . 0.0 110.179 178.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.71 -17.36 30.09 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 118.078 0.399 . . . . 0.0 111.632 176.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 51.8 t . . . . . 0 CA--C 1.531 0.247 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 -179.927 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.0 t . . . . . 0 CA--C 1.529 0.149 0 N-CA-C 114.209 1.188 . . . . 0.0 114.209 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -62.61 -14.6 44.77 Favored 'General case' 0 N--CA 1.461 0.117 0 O-C-N 121.276 -0.89 . . . . 0.0 110.4 176.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -60.1 -31.3 69.9 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.228 0.611 . . . . 0.0 110.456 174.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 57.6 mt -84.68 -40.76 16.99 Favored 'General case' 0 N--CA 1.452 -0.346 0 O-C-N 123.15 0.281 . . . . 0.0 110.369 176.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 p -70.68 -33.9 71.41 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 115.158 1.54 . . . . 0.0 115.158 -175.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -63.83 -21.98 66.69 Favored 'General case' 0 C--N 1.339 0.139 0 CA-C-N 118.036 0.38 . . . . 0.0 111.506 178.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.44 -31.2 24.73 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 122.093 0.157 . . . . 0.0 110.776 175.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 84.7 mt -77.64 -37.96 25.04 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.058 0 C-N-CA 122.408 0.283 . . . . 0.0 110.845 -178.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.1 mp -67.07 -15.53 63.78 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 118.03 0.377 . . . . 0.0 110.36 178.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.3 -21.12 25.94 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 122.566 0.347 . . . . 0.0 111.124 175.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 42.2 t . . . . . 0 C--N 1.339 0.14 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 -179.074 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 43.8 t90 . . . . . 0 N--CA 1.474 0.748 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -155.79 76.15 4.87 Favored Pre-proline 0 CA--C 1.532 0.286 0 C-N-CA 123.195 0.598 . . . . 0.0 111.275 178.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -71.45 -21.46 26.13 Favored 'Trans proline' 0 N--CA 1.457 -0.676 0 C-N-CA 123.849 3.033 . . . . 0.0 111.935 -178.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 21.5 p90 -162.58 -38.28 0.04 OUTLIER 'General case' 0 N--CA 1.461 0.092 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 176.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -150.63 -39.54 0.13 Allowed 'General case' 0 C--O 1.225 -0.209 0 N-CA-C 116.631 2.086 . . . . 0.0 116.631 176.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.74 21.41 1.37 Allowed 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -176.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.44 -6.05 55.32 Favored Glycine 0 CA--C 1.529 0.929 0 CA-C-O 119.373 -0.682 . . . . 0.0 113.772 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 93.9 t -67.87 -19.81 25.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-N 118.519 1.16 . . . . 0.0 111.761 -177.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -63.84 -8.79 11.94 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 118.976 0.807 . . . . 0.0 112.453 -178.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 50.4 pttt -66.09 -21.1 66.35 Favored 'General case' 0 CA--C 1.528 0.11 0 CA-C-N 118.456 0.571 . . . . 0.0 110.221 174.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 63.2 tp -98.34 -40.53 8.27 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 122.774 0.43 . . . . 0.0 110.086 175.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 p -67.42 -24.62 65.67 Favored 'General case' 0 C--N 1.338 0.084 0 N-CA-C 114.587 1.329 . . . . 0.0 114.587 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -70.49 -30.3 67.05 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 117.929 0.331 . . . . 0.0 110.654 176.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.45 -38.75 40.46 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 176.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 84.0 mt -67.21 -30.23 48.58 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 179.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 70.0 tp -63.39 -22.84 67.12 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 122.833 0.453 . . . . 0.0 111.233 179.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -89.77 -19.92 24.15 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 122.595 0.358 . . . . 0.0 111.181 177.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 74.0 t -81.02 -41.88 19.65 Favored 'Isoleucine or valine' 0 C--O 1.231 0.096 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 -178.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 55.9 ptt85 -89.84 159.76 16.83 Favored 'General case' 0 C--N 1.338 0.074 0 CA-C-O 121.023 0.44 . . . . 0.0 111.031 -179.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.7 162.4 29.53 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 123.405 0.682 . . . . 0.0 110.861 178.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.15 0 O-C-N 122.193 -0.317 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 47.5 t90 . . . . . 0 N--CA 1.472 0.661 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -155.73 75.1 5.1 Favored Pre-proline 0 CA--C 1.533 0.31 0 C-N-CA 123.365 0.666 . . . . 0.0 111.354 177.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -70.54 -21.77 29.38 Favored 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 123.64 2.893 . . . . 0.0 112.214 -178.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 22.7 p90 -161.29 -41.21 0.04 OUTLIER 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 176.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -148.91 -38.45 0.16 Allowed 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 116.27 1.952 . . . . 0.0 116.27 176.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.16 21.5 1.09 Allowed 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.47 -5.69 58.85 Favored Glycine 0 CA--C 1.529 0.962 0 CA-C-O 119.58 -0.567 . . . . 0.0 113.372 179.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 86.7 t -65.23 -19.84 26.41 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-N 118.207 1.003 . . . . 0.0 110.937 -179.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.68 -5.73 6.34 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.521 -0.737 . . . . 0.0 112.964 -178.061 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 50.9 pttt -72.31 -23.27 61.14 Favored 'General case' 0 C--N 1.339 0.143 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 173.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 85.2 mt -88.7 -43.01 11.62 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 123.208 0.603 . . . . 0.0 109.82 175.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 p -67.47 -27.65 67.2 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 114.461 1.282 . . . . 0.0 114.461 -176.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -67.08 -29.59 69.39 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 117.77 0.259 . . . . 0.0 110.651 177.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.71 -28.77 45.12 Favored 'General case' 0 N--CA 1.456 -0.169 0 O-C-N 122.402 -0.186 . . . . 0.0 110.754 177.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 95.2 mt -72.53 -34.15 47.24 Favored 'Isoleucine or valine' 0 C--N 1.339 0.141 0 O-C-N 122.364 -0.21 . . . . 0.0 110.471 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 97.9 mt -66.1 -19.49 65.86 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 118.074 0.397 . . . . 0.0 111.031 178.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.92 -28.5 32.78 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 117.762 0.256 . . . . 0.0 110.547 175.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 77.1 t -79.2 -31.4 14.52 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.9 mmt85 -79.61 -0.75 35.01 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 122.918 0.487 . . . . 0.0 112.113 177.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 57.95 176.63 0.06 Allowed 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.511 1.124 . . . . 0.0 112.903 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.161 0 O-C-N 121.902 -0.499 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . 0.48 ' CD1' ' HD3' ' A' ' 3' ' ' PRO . 23.1 t90 . . . . . 0 N--CA 1.469 0.522 0 CA-C-O 119.328 -0.368 . . . . 0.0 110.024 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 43.07 56.73 11.74 Favored Pre-proline 0 CA--C 1.534 0.361 0 N-CA-C 116.871 2.174 . . . . 0.0 116.871 172.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.48 ' HD3' ' CD1' ' A' ' 1' ' ' TRP . 62.9 Cg_endo -67.02 -20.68 50.44 Favored 'Trans proline' 0 N--CA 1.456 -0.693 0 C-N-CA 123.559 2.839 . . . . 0.0 112.2 -176.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 32.5 p90 -160.25 -37.65 0.05 Allowed 'General case' 0 CA--C 1.528 0.117 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 175.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -168.22 -31.89 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 105.434 -2.062 . . . . 0.0 105.434 -179.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 52.9 -155.48 0.19 Allowed 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 118.36 0.527 . . . . 0.0 111.405 179.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.28 9.62 4.11 Favored Glycine 0 CA--C 1.53 1.021 0 CA-C-O 119.509 -0.606 . . . . 0.0 113.815 -177.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 98.9 t -60.61 -16.7 13.61 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 CA-C-N 118.552 1.176 . . . . 0.0 110.654 -179.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -62.82 -13.4 33.05 Favored 'General case' 0 C--N 1.34 0.164 0 O-C-N 121.895 -0.503 . . . . 0.0 111.49 179.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 49.9 pttt -68.07 -27.1 66.21 Favored 'General case' 0 C--N 1.342 0.245 0 CA-C-N 118.493 0.588 . . . . 0.0 110.389 178.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 65.2 tp -84.08 -39.24 19.8 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 176.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.7 p -66.8 -27.49 67.61 Favored 'General case' 0 C--N 1.333 -0.138 0 N-CA-C 114.026 1.121 . . . . 0.0 114.026 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -63.27 -29.23 70.6 Favored 'General case' 0 C--N 1.34 0.155 0 CA-C-O 120.426 0.155 . . . . 0.0 110.621 177.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.94 -28.93 23.98 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 122.374 0.27 . . . . 0.0 110.95 177.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 84.6 mt -74.58 -36.23 40.48 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 CA-C-N 117.956 0.344 . . . . 0.0 110.747 -179.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.1 mp -67.53 -20.67 65.46 Favored 'General case' 0 CA--C 1.527 0.095 0 O-C-N 121.985 -0.447 . . . . 0.0 109.8 178.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.99 -30.08 44.14 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 118.005 0.366 . . . . 0.0 110.519 175.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.5 t -76.15 -32.17 22.38 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.155 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 177.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.9 mmm180 -81.59 3.22 25.93 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 122.938 0.495 . . . . 0.0 111.719 176.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 55.0 26.02 7.54 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.782 0.833 . . . . 0.0 112.666 179.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.173 0 O-C-N 121.833 -0.542 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 56.2 t90 . . . . . 0 N--CA 1.473 0.723 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.8 p30 -151.77 54.82 1.41 Allowed Pre-proline 0 CA--C 1.537 0.455 0 N-CA-C 114.806 1.41 . . . . 0.0 114.806 -177.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -67.97 -12.88 36.7 Favored 'Trans proline' 0 N--CA 1.46 -0.492 0 C-N-CA 123.614 2.876 . . . . 0.0 110.932 178.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 7.9 p90 -158.69 -167.56 2.17 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 101.609 -3.478 . . . . 0.0 101.609 173.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -44.16 -36.02 2.46 Favored 'General case' 0 C--O 1.226 -0.162 0 N-CA-C 117.146 2.276 . . . . 0.0 117.146 178.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 49.53 20.68 0.51 Allowed 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.75 -3.59 67.99 Favored Glycine 0 CA--C 1.529 0.963 0 CA-C-O 119.621 -0.544 . . . . 0.0 113.646 179.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.9 t -64.45 -23.82 34.25 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-N 118.372 1.086 . . . . 0.0 111.979 -177.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -65.94 -7.4 16.53 Favored 'General case' 0 C--N 1.339 0.122 0 CA-C-N 119.19 0.905 . . . . 0.0 112.298 -177.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 49.5 pttt -68.5 -22.76 64.52 Favored 'General case' 0 N--CA 1.457 -0.116 0 CA-C-N 118.942 0.792 . . . . 0.0 109.546 174.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 88.8 mt -88.97 -43.37 11.19 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.263 0.625 . . . . 0.0 109.444 174.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 p -69.99 -30.68 68.07 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 114.871 1.434 . . . . 0.0 114.871 -175.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -64.86 -23.96 67.39 Favored 'General case' 0 C--N 1.34 0.181 0 CA-C-N 118.123 0.42 . . . . 0.0 110.618 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -82.56 -29.11 30.53 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 117.589 0.177 . . . . 0.0 110.679 176.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 96.0 mt -73.48 -35.33 45.14 Favored 'Isoleucine or valine' 0 C--N 1.339 0.12 0 O-C-N 122.319 -0.238 . . . . 0.0 110.661 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.0 mp -67.14 -17.18 64.74 Favored 'General case' 0 CA--C 1.529 0.161 0 O-C-N 122.097 -0.377 . . . . 0.0 110.51 178.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.08 -20.74 28.3 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 118.039 0.381 . . . . 0.0 110.957 175.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.0 t -85.77 -28.6 6.23 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 50.5 mtp180 -70.4 155.78 40.22 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-O 120.921 0.391 . . . . 0.0 111.347 177.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.25 -3.27 35.61 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.286 0.634 . . . . 0.0 112.024 -179.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 -0.017 0 O-C-N 121.764 -0.585 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 64.9 t90 . . . . . 0 N--CA 1.472 0.654 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -159.6 72.43 3.29 Favored Pre-proline 0 CA--C 1.533 0.322 0 C-N-CA 122.823 0.449 . . . . 0.0 110.319 175.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -72.32 -25.33 18.63 Favored 'Trans proline' 0 N--CA 1.452 -0.92 0 C-N-CA 123.629 2.886 . . . . 0.0 112.46 -177.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -162.48 -45.7 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 116.515 2.042 . . . . 0.0 116.515 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . 0.299 33.4 m-85 -145.87 32.89 1.02 Allowed 'General case' 0 C--O 1.23 0.06 0 N-CA-C 116.532 2.049 . . . . 0.0 116.532 -175.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.41 -9.23 31.74 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -177.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.3 1.26 0.03 OUTLIER Glycine 0 CA--C 1.529 0.933 0 O-C-N 122.144 -0.348 . . . . 0.0 113.078 179.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.0 t -64.64 -16.51 19.71 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.126 0 N-CA-C 114.225 1.195 . . . . 0.0 114.225 -177.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -64.16 -12.56 41.19 Favored 'General case' 0 C--O 1.232 0.136 0 O-C-N 121.454 -0.779 . . . . 0.0 112.064 -176.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 52.8 pttt -67.39 -23.29 65.56 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 118.342 0.519 . . . . 0.0 109.763 176.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 71.9 mt -89.08 -43.97 10.69 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 174.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.4 p -69.31 -27.84 65.74 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 114.846 1.424 . . . . 0.0 114.846 -176.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -62.29 -30.68 71.31 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 117.999 0.363 . . . . 0.0 110.553 179.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.7 -27.5 45.0 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 122.279 0.231 . . . . 0.0 110.729 176.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 88.7 mt -76.72 -36.26 26.54 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.089 0 CA-C-N 117.698 0.226 . . . . 0.0 110.822 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -67.43 -17.06 64.56 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 121.936 -0.477 . . . . 0.0 110.417 177.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.43 -22.62 32.6 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 117.804 0.274 . . . . 0.0 110.757 175.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.7 t -85.51 -30.99 6.58 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 179.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -71.69 162.5 29.35 Favored 'General case' 0 C--O 1.231 0.13 0 C-N-CA 122.547 0.339 . . . . 0.0 111.002 177.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -154.35 163.33 40.33 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.129 0.571 . . . . 0.0 110.519 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.231 0 O-C-N 122.148 -0.345 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . 0.462 ' CZ3' ' HB2' ' A' ' 6' ' ' ALA . 64.0 t90 . . . . . 0 N--CA 1.476 0.844 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 15.3 p30 -152.38 54.57 1.29 Allowed Pre-proline 0 CA--C 1.535 0.394 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 -179.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -70.53 -9.67 26.33 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 123.573 2.849 . . . . 0.0 112.41 -176.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.434 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 2.1 p90 -163.67 -158.82 0.47 Allowed 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 103.407 -2.812 . . . . 0.0 103.407 -179.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.434 ' N ' ' CG ' ' A' ' 4' ' ' TYR 0.269 41.0 m-85 -60.49 38.2 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 117.88 2.548 . . . . 0.0 117.88 173.74 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.462 ' HB2' ' CZ3' ' A' ' 1' ' ' TRP . . . -61.68 -17.12 54.3 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.715 0.806 . . . . 0.0 112.152 179.746 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.07 3.84 0.03 OUTLIER Glycine 0 CA--C 1.529 0.925 0 C-N-CA 123.738 0.685 . . . . 0.0 112.173 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.6 t -63.68 -17.68 20.71 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.131 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 -176.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 35.5 mtmm -64.04 -14.36 53.75 Favored 'General case' 0 C--N 1.34 0.189 0 CA-C-N 119.062 0.846 . . . . 0.0 111.057 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.6 tmmm? -63.93 -25.91 68.36 Favored 'General case' 0 CA--C 1.527 0.068 0 C-N-CA 122.973 0.509 . . . . 0.0 110.253 174.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 93.4 mt -88.21 -45.14 10.33 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 173.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.4 p -67.86 -27.91 67.09 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 115.104 1.52 . . . . 0.0 115.104 -175.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -63.33 -30.0 71.21 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 118.04 0.382 . . . . 0.0 110.685 178.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -82.49 -31.1 29.48 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 122.156 0.182 . . . . 0.0 111.086 177.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 91.5 mt -75.61 -37.26 36.29 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.038 0 O-C-N 122.286 -0.259 . . . . 0.0 110.996 -178.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.2 mt -66.84 -16.97 64.65 Favored 'General case' 0 CA--C 1.528 0.127 0 O-C-N 122.042 -0.412 . . . . 0.0 110.865 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.68 -28.44 30.62 Favored 'General case' 0 N--CA 1.452 -0.326 0 O-C-N 122.202 -0.311 . . . . 0.0 110.365 174.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 57.9 t -80.33 -32.73 13.62 Favored 'Isoleucine or valine' 0 C--N 1.339 0.15 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -78.69 -0.74 31.3 Favored 'General case' 0 C--N 1.34 0.169 0 C-N-CA 123.141 0.576 . . . . 0.0 111.765 177.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 58.02 177.11 0.06 Allowed 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.532 1.133 . . . . 0.0 112.741 -179.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.085 0 O-C-N 121.891 -0.505 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . 0.404 ' CZ3' ' HB2' ' A' ' 6' ' ' ALA . 44.5 t90 . . . . . 0 N--CA 1.474 0.76 0 CA-C-O 120.45 0.167 . . . . 0.0 111.215 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -124.25 50.73 3.9 Favored Pre-proline 0 CA--C 1.538 0.481 0 N-CA-C 114.979 1.474 . . . . 0.0 114.979 -176.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -66.3 -23.12 52.21 Favored 'Trans proline' 0 N--CA 1.457 -0.674 0 C-N-CA 123.175 2.584 . . . . 0.0 111.208 -179.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 24.1 p90 -164.46 -168.48 1.53 Allowed 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 102.305 -3.22 . . . . 0.0 102.305 175.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -43.74 -35.16 1.74 Allowed 'General case' 0 C--O 1.227 -0.096 0 N-CA-C 117.307 2.336 . . . . 0.0 117.307 178.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.404 ' HB2' ' CZ3' ' A' ' 1' ' ' TRP . . . 50.29 20.02 0.6 Allowed 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 177.188 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.82 1.75 65.37 Favored Glycine 0 CA--C 1.531 1.033 0 CA-C-O 119.55 -0.583 . . . . 0.0 114.017 179.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 93.0 t -65.7 -16.0 19.68 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.131 0 CA-C-N 118.243 1.022 . . . . 0.0 111.53 -178.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -61.19 -14.74 27.57 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 119.26 0.936 . . . . 0.0 112.283 -177.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.4 pttt -65.76 -22.96 66.63 Favored 'General case' 0 C--N 1.338 0.102 0 CA-C-N 118.671 0.669 . . . . 0.0 110.254 176.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 78.3 mt -88.78 -40.43 13.2 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 122.805 0.442 . . . . 0.0 109.962 174.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 p -69.15 -31.36 69.96 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 114.938 1.459 . . . . 0.0 114.938 -175.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -63.6 -26.56 68.74 Favored 'General case' 0 CA--C 1.526 0.049 0 CA-C-N 118.126 0.421 . . . . 0.0 111.343 177.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.85 -23.36 31.38 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 121.984 0.114 . . . . 0.0 111.265 176.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 60.1 mt -81.41 -38.19 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 CA-C-O 119.387 -0.34 . . . . 0.0 110.804 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.5 mp -66.92 -18.66 65.49 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 118.024 0.375 . . . . 0.0 110.391 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.45 -20.79 42.99 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 122.337 0.255 . . . . 0.0 110.729 175.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 62.1 t -99.26 -77.43 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 C-N-CA 123.007 0.523 . . . . 0.0 110.653 -178.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 49.8 mtm105 53.28 -179.74 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.748 1.219 . . . . 0.0 113.605 -177.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -155.08 164.86 38.27 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.091 0.556 . . . . 0.0 110.461 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.207 0 O-C-N 122.25 -0.281 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 59.5 t90 . . . . . 0 N--CA 1.474 0.751 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -158.2 74.62 3.83 Favored Pre-proline 0 CA--C 1.531 0.225 0 C-N-CA 123.416 0.686 . . . . 0.0 111.328 176.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -73.99 -25.83 13.68 Favored 'Trans proline' 0 N--CA 1.453 -0.887 0 C-N-CA 123.679 2.92 . . . . 0.0 112.278 -176.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -163.33 -44.65 0.03 OUTLIER 'General case' 0 N--CA 1.461 0.094 0 N-CA-C 116.747 2.129 . . . . 0.0 116.747 -178.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . 0.295 29.9 m-85 -147.37 36.06 0.89 Allowed 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 116.399 2.0 . . . . 0.0 116.399 -175.365 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.12 72.21 1.18 Allowed 'General case' 0 N--CA 1.454 -0.275 0 O-C-N 122.175 -0.328 . . . . 0.0 110.906 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.23 -0.31 89.78 Favored Glycine 0 CA--C 1.528 0.847 0 O-C-N 122.337 -0.227 . . . . 0.0 113.17 177.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.2 t -70.32 -12.51 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.095 0 N-CA-C 114.212 1.19 . . . . 0.0 114.212 -177.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -63.59 -10.73 19.92 Favored 'General case' 0 CA--C 1.53 0.18 0 O-C-N 121.521 -0.737 . . . . 0.0 110.609 177.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -61.77 -32.45 72.71 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 123.487 0.715 . . . . 0.0 110.544 174.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -85.65 -39.45 17.27 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 177.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 p -73.05 -27.2 61.6 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 115.002 1.482 . . . . 0.0 115.002 -177.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -64.27 -30.64 71.68 Favored 'General case' 0 N--CA 1.457 -0.117 0 O-C-N 122.002 -0.437 . . . . 0.0 110.067 178.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.29 -29.53 47.92 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 119.828 -0.129 . . . . 0.0 110.843 177.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 95.7 mt -76.96 -36.31 25.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 CA-C-N 118.023 0.374 . . . . 0.0 110.772 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 87.2 mt -66.21 -20.44 66.13 Favored 'General case' 0 N--CA 1.455 -0.219 0 O-C-N 122.096 -0.377 . . . . 0.0 110.648 179.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.62 -30.99 41.59 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 117.87 0.304 . . . . 0.0 110.663 174.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 63.7 t -77.41 -32.57 18.79 Favored 'Isoleucine or valine' 0 C--N 1.339 0.137 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 178.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -78.98 2.83 19.01 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 122.901 0.481 . . . . 0.0 111.889 176.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 55.57 24.56 7.06 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.629 0.771 . . . . 0.0 112.849 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.132 0 O-C-N 121.888 -0.508 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 57.5 t90 . . . . . 0 N--CA 1.475 0.795 0 CA-C-O 120.562 0.22 . . . . 0.0 111.479 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 15.3 p30 -149.83 55.83 2.04 Favored Pre-proline 0 CA--C 1.536 0.408 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 -177.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -66.6 -18.25 53.73 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 123.751 2.967 . . . . 0.0 112.843 -174.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 31.6 p90 -157.25 -37.21 0.07 Allowed 'General case' 0 C--O 1.231 0.116 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 176.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -166.79 -33.79 0.03 OUTLIER 'General case' 0 N--CA 1.457 -0.12 0 N-CA-C 105.322 -2.103 . . . . 0.0 105.322 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.53 -153.08 0.2 Allowed 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 122.559 0.344 . . . . 0.0 111.276 179.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.01 9.15 5.51 Favored Glycine 0 CA--C 1.53 0.995 0 CA-C-O 119.161 -0.799 . . . . 0.0 113.784 -176.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.7 t -60.42 -16.36 12.46 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.158 0 CA-C-N 118.681 1.241 . . . . 0.0 110.613 -179.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -62.23 -13.05 23.97 Favored 'General case' 0 CA--C 1.531 0.25 0 O-C-N 121.612 -0.68 . . . . 0.0 111.731 178.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 50.0 pttt -69.02 -25.69 64.62 Favored 'General case' 0 C--N 1.338 0.108 0 CA-C-N 118.444 0.565 . . . . 0.0 110.342 178.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 65.0 tp -85.48 -39.43 17.48 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 176.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 p -65.89 -28.33 68.87 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 114.274 1.212 . . . . 0.0 114.274 179.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 58.6 tptt -63.57 -28.19 69.76 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 122.192 0.197 . . . . 0.0 110.531 176.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.47 -29.86 22.47 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 122.198 0.199 . . . . 0.0 111.05 177.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 82.3 mt -73.65 -36.98 48.49 Favored 'Isoleucine or valine' 0 C--N 1.339 0.137 0 O-C-N 122.25 -0.281 . . . . 0.0 111.213 -179.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.2 mp -67.83 -15.19 63.51 Favored 'General case' 0 CA--C 1.531 0.23 0 O-C-N 122.083 -0.386 . . . . 0.0 110.478 178.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.72 -21.73 28.13 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 118.022 0.374 . . . . 0.0 110.746 174.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 57.2 t -86.35 -33.75 7.51 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.143 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.2 mmm180 -73.29 164.04 27.24 Favored 'General case' 0 C--N 1.34 0.195 0 C-N-CA 122.579 0.352 . . . . 0.0 110.734 177.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -154.58 163.21 40.56 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.112 0.565 . . . . 0.0 110.408 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.117 0 O-C-N 122.408 -0.182 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 53.5 t90 . . . . . 0 N--CA 1.473 0.697 0 N-CA-C 111.524 0.194 . . . . 0.0 111.524 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -125.26 52.43 6.53 Favored Pre-proline 0 CA--C 1.533 0.302 0 N-CA-C 115.197 1.554 . . . . 0.0 115.197 -177.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -65.93 -23.22 54.74 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 123.127 2.551 . . . . 0.0 111.51 -178.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.405 ' CD2' ' N ' ' A' ' 5' ' ' PHE . 23.6 p90 -164.95 -151.57 0.15 Allowed 'General case' 0 C--O 1.234 0.247 0 N-CA-C 103.851 -2.648 . . . . 0.0 103.851 175.181 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.405 ' N ' ' CD2' ' A' ' 4' ' ' TYR . 1.3 t80 -54.03 -27.77 34.17 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 107.122 -1.436 . . . . 0.0 107.122 179.381 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 49.24 -147.48 0.3 Allowed 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.253 0.621 . . . . 0.0 111.101 177.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.01 5.48 18.3 Favored Glycine 0 CA--C 1.528 0.9 0 CA-C-O 119.565 -0.575 . . . . 0.0 113.697 -178.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.9 t -65.34 -14.55 16.97 Favored 'Isoleucine or valine' 0 C--O 1.23 0.064 0 CA-C-N 118.893 1.346 . . . . 0.0 112.145 -179.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -62.87 -11.83 20.87 Favored 'General case' 0 C--O 1.226 -0.161 0 O-C-N 122.003 -0.436 . . . . 0.0 110.476 174.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -62.6 -31.62 72.49 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 123.998 0.919 . . . . 0.0 110.618 175.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -84.25 -38.03 21.0 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 177.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.4 p -74.9 -29.92 61.13 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 115.414 1.635 . . . . 0.0 115.414 -175.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -65.33 -24.11 67.18 Favored 'General case' 0 C--N 1.339 0.114 0 CA-C-N 118.481 0.582 . . . . 0.0 110.676 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.62 -31.44 32.42 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 122.188 0.195 . . . . 0.0 110.823 176.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 95.2 mt -75.85 -35.74 30.98 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.128 0 O-C-N 122.256 -0.277 . . . . 0.0 110.616 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.8 mt -67.2 -14.84 63.29 Favored 'General case' 0 N--CA 1.453 -0.292 0 O-C-N 121.937 -0.477 . . . . 0.0 111.136 178.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.84 -21.95 26.09 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 122.204 0.202 . . . . 0.0 110.788 174.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 63.1 t -88.32 -32.77 6.1 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.4 mmt85 -74.82 162.76 28.36 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 122.734 0.413 . . . . 0.0 110.757 177.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -154.9 163.85 39.7 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 123.004 0.522 . . . . 0.0 110.459 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.114 0 O-C-N 122.149 -0.344 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . 0.488 ' CZ3' ' HB1' ' A' ' 6' ' ' ALA . 58.7 t90 . . . . . 0 N--CA 1.471 0.58 0 N-CA-C 111.511 0.189 . . . . 0.0 111.511 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.3 p30 -147.99 52.25 1.22 Allowed Pre-proline 0 CA--C 1.535 0.367 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 -178.049 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -65.53 -18.24 59.0 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 123.861 3.041 . . . . 0.0 112.199 -177.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 51.0 p90 -161.62 -157.2 0.48 Allowed 'General case' 0 C--O 1.231 0.118 0 N-CA-C 105.409 -2.071 . . . . 0.0 105.409 177.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . 0.285 42.8 m-85 -58.19 33.07 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 118.213 2.671 . . . . 0.0 118.213 173.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.488 ' HB1' ' CZ3' ' A' ' 1' ' ' TRP . . . -61.08 -16.26 42.02 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.75 0.82 . . . . 0.0 111.833 178.309 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.85 5.97 0.03 OUTLIER Glycine 0 CA--C 1.53 0.978 0 CA-C-O 120.093 -0.282 . . . . 0.0 112.779 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.6 t -64.44 -13.17 13.73 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 -176.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -63.35 -13.05 35.07 Favored 'General case' 0 C--O 1.231 0.128 0 O-C-N 121.48 -0.762 . . . . 0.0 111.773 -177.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.3 pttt -68.16 -22.77 64.83 Favored 'General case' 0 C--N 1.339 0.117 0 CA-C-N 118.029 0.377 . . . . 0.0 110.47 176.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 63.7 tp -90.15 -40.56 12.15 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 175.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.4 p -66.95 -26.93 67.07 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 114.467 1.284 . . . . 0.0 114.467 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -62.84 -29.05 70.44 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 117.859 0.299 . . . . 0.0 110.565 176.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.27 -31.1 23.28 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 122.453 0.301 . . . . 0.0 111.022 176.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 92.6 mt -73.82 -37.4 48.36 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.053 0 CA-C-N 118.029 0.377 . . . . 0.0 111.203 -178.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.5 mp -67.29 -14.55 63.02 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 118.05 0.386 . . . . 0.0 110.65 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.53 -22.45 28.13 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 117.949 0.341 . . . . 0.0 110.858 174.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 69.6 t -86.0 -29.35 6.15 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 72.3 mmt-85 -69.61 157.71 36.7 Favored 'General case' 0 C--O 1.23 0.071 0 CA-C-O 120.784 0.326 . . . . 0.0 110.824 177.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.1 -3.53 42.83 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.105 0.562 . . . . 0.0 111.954 -178.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.089 0 O-C-N 121.805 -0.559 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 55.5 t90 . . . . . 0 N--CA 1.472 0.664 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -156.16 74.79 4.9 Favored Pre-proline 0 CA--C 1.531 0.22 0 C-N-CA 123.06 0.544 . . . . 0.0 110.727 176.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -69.71 -16.85 37.96 Favored 'Trans proline' 0 N--CA 1.454 -0.807 0 C-N-CA 123.605 2.87 . . . . 0.0 112.788 -177.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 22.3 p90 -158.79 -44.65 0.06 Allowed 'General case' 0 C--O 1.231 0.129 0 N-CA-C 116.331 1.974 . . . . 0.0 116.331 177.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -169.12 35.52 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 -172.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.08 109.98 0.67 Allowed 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 121.079 0.466 . . . . 0.0 111.522 -172.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.72 5.17 36.69 Favored Glycine 0 CA--C 1.527 0.827 0 CA-C-O 119.195 -0.78 . . . . 0.0 113.979 176.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 25.9 t -68.4 -13.49 17.15 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-N 118.771 1.286 . . . . 0.0 111.494 -179.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -62.11 -16.35 51.79 Favored 'General case' 0 C--N 1.341 0.225 0 O-C-N 121.93 -0.481 . . . . 0.0 110.719 176.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.401 ' HE2' ' HB3' ' A' ' 10' ' ' LYS . 3.9 tmmm? -67.16 -28.33 68.03 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 122.652 0.381 . . . . 0.0 110.373 176.033 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 70.0 tp -82.65 -37.76 24.45 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 175.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.6 p -65.52 -29.57 70.23 Favored 'General case' 0 CA--C 1.52 -0.196 0 N-CA-C 114.206 1.188 . . . . 0.0 114.206 178.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -62.41 -28.48 69.82 Favored 'General case' 0 C--O 1.23 0.065 0 O-C-N 122.189 -0.319 . . . . 0.0 110.3 178.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.99 -30.0 21.57 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 122.438 0.295 . . . . 0.0 111.576 176.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 85.0 mt -76.98 -38.59 28.43 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.104 0 O-C-N 122.058 -0.401 . . . . 0.0 111.344 -178.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.5 mp -67.79 -20.31 65.19 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.38 -21.45 53.2 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 117.807 0.276 . . . . 0.0 110.737 175.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.0 t -91.83 -32.73 5.27 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 178.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 -80.58 -19.07 46.4 Favored 'General case' 0 CA--C 1.522 -0.122 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 -179.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -162.45 13.31 0.07 Allowed 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 112.673 0.619 . . . . 0.0 112.673 -175.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.068 0 O-C-N 121.65 -0.656 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 49.6 t90 . . . . . 0 N--CA 1.471 0.618 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -153.15 72.95 7.0 Favored Pre-proline 0 CA--C 1.537 0.443 0 C-N-CA 123.017 0.527 . . . . 0.0 111.56 179.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -70.82 -18.87 31.7 Favored 'Trans proline' 0 N--CA 1.454 -0.81 0 C-N-CA 123.924 3.083 . . . . 0.0 112.417 -178.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 26.6 p90 -160.58 -36.18 0.05 Allowed 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 114.806 1.41 . . . . 0.0 114.806 177.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -167.16 -32.48 0.02 OUTLIER 'General case' 0 C--N 1.341 0.196 0 N-CA-C 105.296 -2.113 . . . . 0.0 105.296 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.18 -152.23 0.21 Allowed 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 118.136 0.425 . . . . 0.0 111.908 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.37 8.74 8.74 Favored Glycine 0 CA--C 1.527 0.801 0 CA-C-O 119.127 -0.818 . . . . 0.0 113.584 -177.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 92.9 t -59.84 -17.29 13.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-N 118.869 1.334 . . . . 0.0 110.835 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 37.4 mtmm -63.21 -12.92 32.05 Favored 'General case' 0 CA--C 1.531 0.234 0 O-C-N 121.703 -0.623 . . . . 0.0 111.573 179.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 49.5 pttt -68.22 -25.13 65.06 Favored 'General case' 0 C--N 1.34 0.157 0 CA-C-N 118.253 0.479 . . . . 0.0 109.848 177.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 78.4 mt -84.38 -42.79 15.35 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 175.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 p -69.67 -29.28 66.7 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 114.406 1.261 . . . . 0.0 114.406 -175.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -61.28 -29.82 70.1 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 117.628 0.195 . . . . 0.0 110.571 179.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.32 -28.34 34.6 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 122.081 0.153 . . . . 0.0 110.895 177.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 86.0 mt -72.4 -34.61 49.29 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.084 0 CA-C-N 117.786 0.266 . . . . 0.0 110.747 -178.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.1 mp -66.81 -23.4 66.04 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 118.087 0.403 . . . . 0.0 110.057 177.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.66 -27.62 45.25 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 117.742 0.247 . . . . 0.0 110.588 177.209 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.9 t -74.88 -30.96 24.79 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 178.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.0 mtm180 -82.55 6.36 17.84 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 122.536 0.334 . . . . 0.0 111.883 176.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 55.13 24.0 5.81 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.805 0.842 . . . . 0.0 112.817 179.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.074 0 O-C-N 121.721 -0.612 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 61.3 t90 . . . . . 0 N--CA 1.472 0.659 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -157.22 69.85 4.41 Favored Pre-proline 0 CA--C 1.535 0.391 0 C-N-CA 122.684 0.393 . . . . 0.0 111.765 177.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -69.81 -36.6 10.38 Favored 'Trans proline' 0 N--CA 1.456 -0.695 0 C-N-CA 122.893 2.395 . . . . 0.0 110.734 179.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 10.7 p90 -171.86 145.18 1.86 Allowed 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 103.194 -2.891 . . . . 0.0 103.194 176.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . 0.378 37.9 m-85 40.81 23.51 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 119.039 2.977 . . . . 0.0 119.039 171.665 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.21 -8.97 57.14 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 121.633 -0.667 . . . . 0.0 111.746 -176.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.66 3.07 0.03 OUTLIER Glycine 0 CA--C 1.529 0.952 0 C-N-CA 123.198 0.428 . . . . 0.0 112.271 179.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.2 t -67.42 -10.92 13.16 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.122 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 -176.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -62.16 -12.01 17.46 Favored 'General case' 0 CA--C 1.529 0.137 0 O-C-N 121.609 -0.682 . . . . 0.0 110.891 177.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -62.49 -31.63 72.41 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.704 0.802 . . . . 0.0 110.275 174.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -86.04 -39.81 16.42 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 122.937 0.495 . . . . 0.0 109.699 176.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 p -71.77 -27.82 63.22 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 115.053 1.501 . . . . 0.0 115.053 -177.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 58.1 tptt -62.91 -31.99 73.18 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 118.03 0.377 . . . . 0.0 110.312 178.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.56 -27.69 51.59 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 122.102 0.161 . . . . 0.0 111.295 176.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 86.2 mt -79.25 -38.76 20.42 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 O-C-N 122.155 -0.341 . . . . 0.0 111.054 -178.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.2 mp -67.28 -20.14 65.59 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.894 -0.504 . . . . 0.0 109.902 178.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.75 -31.89 57.38 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 117.816 0.28 . . . . 0.0 110.332 175.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 51.7 t -75.03 -30.81 23.94 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.106 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 177.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 78.7 mtp85 -78.16 3.13 15.96 Favored 'General case' 0 C--N 1.338 0.085 0 C-N-CA 123.233 0.613 . . . . 0.0 112.283 176.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 55.14 25.86 7.63 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.842 0.857 . . . . 0.0 112.753 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.18 0 O-C-N 121.998 -0.439 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . 0.46 ' CZ3' ' HB1' ' A' ' 6' ' ' ALA . 63.5 t90 . . . . . 0 N--CA 1.471 0.589 0 N-CA-C 111.436 0.161 . . . . 0.0 111.436 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -136.85 51.11 4.35 Favored Pre-proline 0 CA--C 1.536 0.438 0 N-CA-C 114.407 1.262 . . . . 0.0 114.407 -178.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -70.05 -12.09 31.68 Favored 'Trans proline' 0 N--CA 1.455 -0.787 0 C-N-CA 123.446 2.764 . . . . 0.0 112.39 -176.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.44 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 1.9 p90 -163.83 -158.8 0.47 Allowed 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 103.261 -2.866 . . . . 0.0 103.261 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.44 ' N ' ' CG ' ' A' ' 4' ' ' TYR 0.262 41.7 m-85 -60.74 36.16 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 117.734 2.494 . . . . 0.0 117.734 173.931 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.46 ' HB1' ' CZ3' ' A' ' 1' ' ' TRP . . . -59.79 -18.32 42.57 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.737 0.815 . . . . 0.0 111.906 179.003 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.92 6.46 0.03 OUTLIER Glycine 0 CA--C 1.529 0.954 0 C-N-CA 123.14 0.4 . . . . 0.0 112.128 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.6 t -64.16 -13.7 14.21 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.078 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 -176.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -62.38 -13.95 34.8 Favored 'General case' 0 CA--C 1.527 0.08 0 O-C-N 121.519 -0.738 . . . . 0.0 112.115 -176.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 52.3 pttt -67.83 -22.38 65.15 Favored 'General case' 0 C--N 1.339 0.136 0 CA-C-N 118.29 0.496 . . . . 0.0 110.518 176.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 64.6 tp -91.81 -39.17 11.91 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 175.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.4 p -67.63 -24.8 65.5 Favored 'General case' 0 CA--C 1.521 -0.153 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -65.64 -29.42 69.99 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 176.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.8 -31.44 23.89 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 122.279 0.232 . . . . 0.0 111.263 177.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 88.7 mt -73.13 -36.55 50.61 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.111 0 O-C-N 122.341 -0.224 . . . . 0.0 110.95 -179.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 76.4 mt -67.7 -15.27 63.55 Favored 'General case' 0 N--CA 1.454 -0.234 0 O-C-N 122.151 -0.343 . . . . 0.0 110.84 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.2 -22.79 26.75 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 117.933 0.333 . . . . 0.0 110.567 174.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.4 t -84.52 -29.57 6.99 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.063 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 179.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 78.4 mtp85 -71.85 156.43 39.31 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 122.756 0.423 . . . . 0.0 111.315 178.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.02 161.15 31.63 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.182 0.593 . . . . 0.0 110.891 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.141 0 CA-C-N 116.505 -0.316 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 60.3 t90 . . . . . 0 N--CA 1.473 0.691 0 CA-C-O 120.5 0.19 . . . . 0.0 111.394 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 16.0 p30 -154.49 58.98 2.26 Favored Pre-proline 0 CA--C 1.537 0.446 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -178.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -66.19 -20.79 55.99 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 123.609 2.872 . . . . 0.0 112.518 -174.005 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -157.66 -39.57 0.07 Allowed 'General case' 0 C--O 1.231 0.11 0 N-CA-C 114.193 1.183 . . . . 0.0 114.193 176.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -147.7 -55.18 0.22 Allowed 'General case' 0 C--O 1.225 -0.229 0 N-CA-C 116.024 1.861 . . . . 0.0 116.024 177.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.39 21.12 1.11 Allowed 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 178.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.93 -1.74 55.31 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 121.792 -0.568 . . . . 0.0 113.621 179.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 99.9 t -67.21 -7.66 6.65 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-N 118.227 1.013 . . . . 0.0 111.293 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -59.4 -15.96 20.1 Favored 'General case' 0 C--N 1.343 0.285 0 O-C-N 121.114 -0.991 . . . . 0.0 110.614 175.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -60.14 -28.35 67.83 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 123.631 0.772 . . . . 0.0 110.655 175.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 66.4 tp -91.37 -36.79 13.62 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 176.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.4 p -67.42 -32.99 74.25 Favored 'General case' 0 C--O 1.227 -0.08 0 N-CA-C 114.63 1.345 . . . . 0.0 114.63 -179.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -66.9 -23.51 66.0 Favored 'General case' 0 C--N 1.339 0.139 0 CA-C-N 118.272 0.487 . . . . 0.0 111.102 176.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.27 -33.12 24.07 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 110.611 -0.144 . . . . 0.0 110.611 175.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 76.2 mt -73.52 -35.44 45.13 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 O-C-N 122.476 -0.14 . . . . 0.0 110.886 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 74.7 mt -67.12 -15.16 63.54 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 122.192 -0.317 . . . . 0.0 111.022 179.044 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.61 -22.82 24.53 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 122.341 0.256 . . . . 0.0 110.731 175.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 64.7 t -84.02 -28.46 7.27 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.142 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 78.5 mtp85 -71.86 157.36 38.01 Favored 'General case' 0 C--O 1.23 0.069 0 C-N-CA 122.723 0.409 . . . . 0.0 110.994 177.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.48 -3.84 39.41 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.184 0.594 . . . . 0.0 112.158 -179.123 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 -0.022 0 O-C-N 121.942 -0.474 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . 0.437 ' CZ3' ' HB3' ' A' ' 6' ' ' ALA . 38.6 t90 . . . . . 0 N--CA 1.474 0.728 0 CA-C-O 120.311 0.1 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -149.34 60.2 4.47 Favored Pre-proline 0 CA--C 1.537 0.463 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 -177.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_endo -71.31 -23.97 23.49 Favored 'Trans proline' 0 N--CA 1.457 -0.618 0 C-N-CA 123.138 2.559 . . . . 0.0 111.062 176.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 21.8 p90 -165.48 -173.38 2.77 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 102.257 -3.238 . . . . 0.0 102.257 176.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -40.45 -32.86 0.22 Allowed 'General case' 0 C--O 1.224 -0.264 0 N-CA-C 117.958 2.577 . . . . 0.0 117.958 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.437 ' HB3' ' CZ3' ' A' ' 1' ' ' TRP . . . 52.36 18.87 0.99 Allowed 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -178.562 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.49 -5.58 54.91 Favored Glycine 0 CA--C 1.532 1.103 0 CA-C-O 119.483 -0.62 . . . . 0.0 113.9 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.4 t -67.21 -22.8 29.56 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-N 118.502 1.151 . . . . 0.0 112.313 -177.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -64.61 -8.02 12.68 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 118.982 0.81 . . . . 0.0 112.501 -177.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 48.8 pttt -68.94 -22.14 64.16 Favored 'General case' 0 C--O 1.226 -0.139 0 CA-C-N 118.643 0.656 . . . . 0.0 110.057 175.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 63.9 tp -91.41 -40.38 11.46 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 174.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.4 p -65.63 -33.5 76.05 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 114.403 1.26 . . . . 0.0 114.403 -178.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.28 -19.02 65.7 Favored 'General case' 0 N--CA 1.457 -0.094 0 CA-C-N 118.282 0.492 . . . . 0.0 110.697 178.43 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.95 -24.24 18.46 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 122.374 0.27 . . . . 0.0 110.579 174.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 58.9 mt -73.58 -35.84 45.85 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 O-C-N 122.123 -0.361 . . . . 0.0 110.682 178.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.02 -18.02 64.94 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 118.273 0.488 . . . . 0.0 110.36 178.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.83 -10.74 41.61 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 111.884 0.328 . . . . 0.0 111.884 177.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.421 HG13 ' H ' ' A' ' 20' ' ' ALA . 82.4 t -121.21 -57.86 2.9 Favored 'Isoleucine or valine' 0 C--O 1.232 0.153 0 N-CA-C 112.111 0.412 . . . . 0.0 112.111 -174.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 42.5 mtp180 47.39 30.59 1.6 Allowed 'General case' 0 C--N 1.341 0.207 0 C-N-CA 124.8 1.24 . . . . 0.0 114.018 -179.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.421 ' H ' HG13 ' A' ' 18' ' ' VAL . . . 53.95 22.33 3.32 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.489 1.115 . . . . 0.0 112.865 -179.379 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.113 0 O-C-N 121.753 -0.592 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 54.8 t90 . . . . . 0 N--CA 1.474 0.728 0 N-CA-C 111.583 0.216 . . . . 0.0 111.583 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 15.4 p30 -150.94 56.64 2.12 Favored Pre-proline 0 CA--C 1.534 0.351 0 N-CA-C 114.136 1.161 . . . . 0.0 114.136 -177.394 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -66.41 -18.07 54.48 Favored 'Trans proline' 0 N--CA 1.455 -0.77 0 C-N-CA 123.685 2.923 . . . . 0.0 112.84 -174.057 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 33.2 p90 -157.03 -36.86 0.08 Allowed 'General case' 0 C--O 1.231 0.092 0 N-CA-C 114.244 1.202 . . . . 0.0 114.244 176.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -167.33 -35.66 0.02 OUTLIER 'General case' 0 C--N 1.34 0.187 0 N-CA-C 105.039 -2.208 . . . . 0.0 105.039 179.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 52.25 -153.61 0.21 Allowed 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 118.2 0.454 . . . . 0.0 111.376 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.61 10.09 5.48 Favored Glycine 0 CA--C 1.528 0.903 0 CA-C-O 119.404 -0.664 . . . . 0.0 114.043 -177.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 82.9 t -59.88 -17.18 12.93 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 CA-C-N 118.662 1.231 . . . . 0.0 110.738 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -62.73 -13.8 37.0 Favored 'General case' 0 CA--C 1.53 0.194 0 O-C-N 121.682 -0.636 . . . . 0.0 111.683 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 49.9 pttt -67.46 -24.46 65.62 Favored 'General case' 0 CA--C 1.528 0.106 0 CA-C-N 118.491 0.587 . . . . 0.0 110.014 177.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.9 mt -85.53 -42.6 14.26 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 122.992 0.517 . . . . 0.0 109.613 175.17 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.4 p -70.28 -27.77 64.68 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 114.595 1.331 . . . . 0.0 114.595 -176.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -64.05 -30.21 71.3 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 110.533 -0.173 . . . . 0.0 110.533 179.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.9 -28.52 39.83 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 122.207 0.203 . . . . 0.0 110.876 177.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 94.9 mt -74.85 -35.92 37.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 O-C-N 122.176 -0.328 . . . . 0.0 110.578 -179.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 91.3 mt -67.39 -15.02 63.44 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 122.287 -0.258 . . . . 0.0 111.067 179.173 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.61 -23.19 25.83 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 122.324 0.249 . . . . 0.0 110.364 175.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.1 t -85.6 -33.45 7.7 Favored 'Isoleucine or valine' 0 C--O 1.23 0.055 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 -179.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 56.5 mmm-85 -74.0 160.19 31.66 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 122.539 0.335 . . . . 0.0 110.553 177.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -154.42 165.22 37.07 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 122.94 0.496 . . . . 0.0 110.683 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.24 0 O-C-N 122.143 -0.348 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . 0.496 ' CZ3' ' HB3' ' A' ' 6' ' ' ALA . 56.5 t90 . . . . . 0 N--CA 1.474 0.733 0 CA-C-O 120.701 0.286 . . . . 0.0 111.259 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.8 p30 -146.98 53.97 1.85 Allowed Pre-proline 0 CA--C 1.535 0.387 0 N-CA-C 114.711 1.375 . . . . 0.0 114.711 -178.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -66.64 -17.57 52.87 Favored 'Trans proline' 0 N--CA 1.46 -0.49 0 C-N-CA 123.976 3.118 . . . . 0.0 112.137 -178.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.441 ' C ' ' H ' ' A' ' 6' ' ' ALA . 50.6 p90 -162.33 -158.0 0.5 Allowed 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 105.086 -2.19 . . . . 0.0 105.086 177.639 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . 0.289 38.7 m-85 -56.83 28.84 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 118.194 2.664 . . . . 0.0 118.194 173.372 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.496 ' HB3' ' CZ3' ' A' ' 1' ' ' TRP . . . -60.15 -14.94 19.74 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.335 1.054 . . . . 0.0 111.797 178.467 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.02 4.74 0.03 OUTLIER Glycine 0 CA--C 1.529 0.919 0 CA-C-O 119.951 -0.361 . . . . 0.0 112.989 178.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.5 t -65.97 -12.46 14.22 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 -176.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 36.2 mtmm -63.27 -13.58 39.84 Favored 'General case' 0 N--CA 1.462 0.144 0 O-C-N 121.392 -0.817 . . . . 0.0 111.856 -177.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 53.0 pttt -67.85 -23.21 65.12 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 118.22 0.464 . . . . 0.0 110.354 177.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 69.1 tp -89.8 -39.72 12.93 Favored 'General case' 0 N--CA 1.457 -0.124 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 175.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 p -68.19 -27.56 66.5 Favored 'General case' 0 CA--C 1.52 -0.182 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 -179.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 58.4 tptt -62.39 -29.89 70.81 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 177.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.9 -34.96 24.42 Favored 'General case' 0 N--CA 1.456 -0.172 0 O-C-N 122.428 -0.17 . . . . 0.0 110.937 176.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 88.0 mt -69.74 -34.25 60.0 Favored 'Isoleucine or valine' 0 C--O 1.231 0.114 0 CA-C-N 118.031 0.378 . . . . 0.0 111.438 -178.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.9 mp -69.1 -16.85 63.77 Favored 'General case' 0 CA--C 1.531 0.216 0 O-C-N 121.895 -0.503 . . . . 0.0 110.179 178.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.71 -17.36 30.09 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 118.078 0.399 . . . . 0.0 111.632 176.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 51.8 t -80.34 -14.09 12.98 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 68.3 mtm180 -63.66 156.38 27.02 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 122.958 0.503 . . . . 0.0 111.011 -179.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -154.77 163.99 39.46 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 122.938 0.495 . . . . 0.0 110.433 -179.258 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.093 0 O-C-N 122.142 -0.349 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . 0.468 ' CZ3' ' HB1' ' A' ' 6' ' ' ALA . 48.5 t90 . . . . . 0 N--CA 1.476 0.855 0 CA-C-O 120.972 0.415 . . . . 0.0 111.128 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -124.46 50.67 3.99 Favored Pre-proline 0 CA--C 1.536 0.441 0 N-CA-C 114.622 1.341 . . . . 0.0 114.622 -177.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -65.96 -22.58 55.4 Favored 'Trans proline' 0 N--CA 1.46 -0.46 0 C-N-CA 123.488 2.792 . . . . 0.0 112.316 -177.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.466 ' C ' ' H ' ' A' ' 6' ' ' ALA . 39.1 p90 -165.69 -158.22 0.35 Allowed 'General case' 0 C--O 1.232 0.136 0 N-CA-C 103.269 -2.864 . . . . 0.0 103.269 177.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . 0.303 35.7 m-85 -56.74 27.47 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 118.2 2.667 . . . . 0.0 118.2 172.283 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.468 ' HB1' ' CZ3' ' A' ' 1' ' ' TRP . . . -60.87 -14.19 20.46 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 124.372 1.069 . . . . 0.0 111.969 176.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.64 1.5 0.03 OUTLIER Glycine 0 CA--C 1.53 1.015 0 C-N-CA 122.99 0.328 . . . . 0.0 112.901 178.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.0 t -66.03 -11.09 12.11 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 N-CA-C 114.209 1.188 . . . . 0.0 114.209 -177.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -62.61 -14.6 44.77 Favored 'General case' 0 N--CA 1.461 0.117 0 O-C-N 121.276 -0.89 . . . . 0.0 110.4 176.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -60.1 -31.3 69.9 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.228 0.611 . . . . 0.0 110.456 174.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 57.6 mt -84.68 -40.76 16.99 Favored 'General case' 0 N--CA 1.452 -0.346 0 O-C-N 123.15 0.281 . . . . 0.0 110.369 176.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 p -70.68 -33.9 71.41 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 115.158 1.54 . . . . 0.0 115.158 -175.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -63.83 -21.98 66.69 Favored 'General case' 0 C--N 1.339 0.139 0 CA-C-N 118.036 0.38 . . . . 0.0 111.506 178.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.44 -31.2 24.73 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 122.093 0.157 . . . . 0.0 110.776 175.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 84.7 mt -77.64 -37.96 25.04 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.058 0 C-N-CA 122.408 0.283 . . . . 0.0 110.845 -178.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.1 mp -67.07 -15.53 63.78 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 118.03 0.377 . . . . 0.0 110.36 178.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.3 -21.12 25.94 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 122.566 0.347 . . . . 0.0 111.124 175.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 42.2 t -85.13 -32.35 7.31 Favored 'Isoleucine or valine' 0 C--N 1.339 0.14 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 -179.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.0 mtm180 -74.41 159.05 32.84 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 117.976 0.353 . . . . 0.0 110.725 178.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -154.5 164.8 38.13 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.296 0.638 . . . . 0.0 110.414 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.189 0 O-C-N 122.227 -0.296 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 93.9 t . . . . . 0 N--CA 1.464 0.243 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -63.84 -8.79 11.94 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 118.976 0.807 . . . . 0.0 112.453 -178.17 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 50.4 pttt -66.09 -21.1 66.35 Favored 'General case' 0 CA--C 1.528 0.11 0 CA-C-N 118.456 0.571 . . . . 0.0 110.221 174.522 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 63.2 tp -98.34 -40.53 8.27 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 122.774 0.43 . . . . 0.0 110.086 175.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 p -67.42 -24.62 65.67 Favored 'General case' 0 C--N 1.338 0.084 0 N-CA-C 114.587 1.329 . . . . 0.0 114.587 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -70.49 -30.3 67.05 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 117.929 0.331 . . . . 0.0 110.654 176.412 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.45 -38.75 40.46 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 176.299 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 84.0 mt -67.21 -30.23 48.58 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 179.169 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 70.0 tp -63.39 -22.84 67.12 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 122.833 0.453 . . . . 0.0 111.233 179.31 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -89.77 -19.92 24.15 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 122.595 0.358 . . . . 0.0 111.181 177.178 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 74.0 t . . . . . 0 C--O 1.231 0.096 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 -178.822 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 86.7 t . . . . . 0 N--CA 1.464 0.227 0 CA-C-O 119.943 -0.075 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.68 -5.73 6.34 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.521 -0.737 . . . . 0.0 112.964 -178.061 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 50.9 pttt -72.31 -23.27 61.14 Favored 'General case' 0 C--N 1.339 0.143 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 173.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 85.2 mt -88.7 -43.01 11.62 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 123.208 0.603 . . . . 0.0 109.82 175.581 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 p -67.47 -27.65 67.2 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 114.461 1.282 . . . . 0.0 114.461 -176.279 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -67.08 -29.59 69.39 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 117.77 0.259 . . . . 0.0 110.651 177.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.71 -28.77 45.12 Favored 'General case' 0 N--CA 1.456 -0.169 0 O-C-N 122.402 -0.186 . . . . 0.0 110.754 177.739 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 95.2 mt -72.53 -34.15 47.24 Favored 'Isoleucine or valine' 0 C--N 1.339 0.141 0 O-C-N 122.364 -0.21 . . . . 0.0 110.471 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 97.9 mt -66.1 -19.49 65.86 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 118.074 0.397 . . . . 0.0 111.031 178.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.92 -28.5 32.78 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 117.762 0.256 . . . . 0.0 110.547 175.525 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 77.1 t . . . . . 0 CA--C 1.53 0.174 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 179.713 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 98.9 t . . . . . 0 CA--C 1.53 0.182 0 N-CA-C 110.654 -0.128 . . . . 0.0 110.654 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -62.82 -13.4 33.05 Favored 'General case' 0 C--N 1.34 0.164 0 O-C-N 121.895 -0.503 . . . . 0.0 111.49 179.318 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 49.9 pttt -68.07 -27.1 66.21 Favored 'General case' 0 C--N 1.342 0.245 0 CA-C-N 118.493 0.588 . . . . 0.0 110.389 178.365 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 65.2 tp -84.08 -39.24 19.8 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 176.491 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.7 p -66.8 -27.49 67.61 Favored 'General case' 0 C--N 1.333 -0.138 0 N-CA-C 114.026 1.121 . . . . 0.0 114.026 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -63.27 -29.23 70.6 Favored 'General case' 0 C--N 1.34 0.155 0 CA-C-O 120.426 0.155 . . . . 0.0 110.621 177.152 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.94 -28.93 23.98 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 122.374 0.27 . . . . 0.0 110.95 177.255 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 84.6 mt -74.58 -36.23 40.48 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 CA-C-N 117.956 0.344 . . . . 0.0 110.747 -179.102 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.1 mp -67.53 -20.67 65.46 Favored 'General case' 0 CA--C 1.527 0.095 0 O-C-N 121.985 -0.447 . . . . 0.0 109.8 178.498 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.99 -30.08 44.14 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 118.005 0.366 . . . . 0.0 110.519 175.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.5 t . . . . . 0 CA--C 1.529 0.155 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 177.722 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.9 t . . . . . 0 N--CA 1.463 0.201 0 N-CA-C 111.979 0.362 . . . . 0.0 111.979 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -65.94 -7.4 16.53 Favored 'General case' 0 C--N 1.339 0.122 0 CA-C-N 119.19 0.905 . . . . 0.0 112.298 -177.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 49.5 pttt -68.5 -22.76 64.52 Favored 'General case' 0 N--CA 1.457 -0.116 0 CA-C-N 118.942 0.792 . . . . 0.0 109.546 174.687 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 88.8 mt -88.97 -43.37 11.19 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.263 0.625 . . . . 0.0 109.444 174.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 p -69.99 -30.68 68.07 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 114.871 1.434 . . . . 0.0 114.871 -175.298 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -64.86 -23.96 67.39 Favored 'General case' 0 C--N 1.34 0.181 0 CA-C-N 118.123 0.42 . . . . 0.0 110.618 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -82.56 -29.11 30.53 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 117.589 0.177 . . . . 0.0 110.679 176.552 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 96.0 mt -73.48 -35.33 45.14 Favored 'Isoleucine or valine' 0 C--N 1.339 0.12 0 O-C-N 122.319 -0.238 . . . . 0.0 110.661 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.0 mp -67.14 -17.18 64.74 Favored 'General case' 0 CA--C 1.529 0.161 0 O-C-N 122.097 -0.377 . . . . 0.0 110.51 178.341 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.08 -20.74 28.3 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 118.039 0.381 . . . . 0.0 110.957 175.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.0 t . . . . . 0 CA--C 1.531 0.212 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.855 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.0 t . . . . . 0 C--O 1.227 -0.126 0 N-CA-C 114.225 1.195 . . . . 0.0 114.225 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -64.16 -12.56 41.19 Favored 'General case' 0 C--O 1.232 0.136 0 O-C-N 121.454 -0.779 . . . . 0.0 112.064 -176.563 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 52.8 pttt -67.39 -23.29 65.56 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 118.342 0.519 . . . . 0.0 109.763 176.442 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 71.9 mt -89.08 -43.97 10.69 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 174.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.4 p -69.31 -27.84 65.74 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 114.846 1.424 . . . . 0.0 114.846 -176.327 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -62.29 -30.68 71.31 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 117.999 0.363 . . . . 0.0 110.553 179.36 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.7 -27.5 45.0 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 122.279 0.231 . . . . 0.0 110.729 176.494 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 88.7 mt -76.72 -36.26 26.54 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.089 0 CA-C-N 117.698 0.226 . . . . 0.0 110.822 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -67.43 -17.06 64.56 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 121.936 -0.477 . . . . 0.0 110.417 177.545 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.43 -22.62 32.6 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 117.804 0.274 . . . . 0.0 110.757 175.525 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.7 t . . . . . 0 C--O 1.232 0.167 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 179.207 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.6 t . . . . . 0 N--CA 1.456 -0.131 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 35.5 mtmm -64.04 -14.36 53.75 Favored 'General case' 0 C--N 1.34 0.189 0 CA-C-N 119.062 0.846 . . . . 0.0 111.057 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.6 tmmm? -63.93 -25.91 68.36 Favored 'General case' 0 CA--C 1.527 0.068 0 C-N-CA 122.973 0.509 . . . . 0.0 110.253 174.425 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 93.4 mt -88.21 -45.14 10.33 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 173.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.4 p -67.86 -27.91 67.09 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 115.104 1.52 . . . . 0.0 115.104 -175.107 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -63.33 -30.0 71.21 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 118.04 0.382 . . . . 0.0 110.685 178.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -82.49 -31.1 29.48 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 122.156 0.182 . . . . 0.0 111.086 177.143 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 91.5 mt -75.61 -37.26 36.29 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.038 0 O-C-N 122.286 -0.259 . . . . 0.0 110.996 -178.314 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.2 mt -66.84 -16.97 64.65 Favored 'General case' 0 CA--C 1.528 0.127 0 O-C-N 122.042 -0.412 . . . . 0.0 110.865 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.68 -28.44 30.62 Favored 'General case' 0 N--CA 1.452 -0.326 0 O-C-N 122.202 -0.311 . . . . 0.0 110.365 174.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 57.9 t . . . . . 0 C--N 1.339 0.15 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 179.885 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 93.0 t . . . . . 0 CA--C 1.528 0.131 0 CA-C-O 119.285 -0.388 . . . . 0.0 111.53 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -61.19 -14.74 27.57 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 119.26 0.936 . . . . 0.0 112.283 -177.674 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.4 pttt -65.76 -22.96 66.63 Favored 'General case' 0 C--N 1.338 0.102 0 CA-C-N 118.671 0.669 . . . . 0.0 110.254 176.366 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 78.3 mt -88.78 -40.43 13.2 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 122.805 0.442 . . . . 0.0 109.962 174.24 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 p -69.15 -31.36 69.96 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 114.938 1.459 . . . . 0.0 114.938 -175.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -63.6 -26.56 68.74 Favored 'General case' 0 CA--C 1.526 0.049 0 CA-C-N 118.126 0.421 . . . . 0.0 111.343 177.365 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.85 -23.36 31.38 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 121.984 0.114 . . . . 0.0 111.265 176.385 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 60.1 mt -81.41 -38.19 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 CA-C-O 119.387 -0.34 . . . . 0.0 110.804 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.5 mp -66.92 -18.66 65.49 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 118.024 0.375 . . . . 0.0 110.391 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.45 -20.79 42.99 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 122.337 0.255 . . . . 0.0 110.729 175.247 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 62.1 t . . . . . 0 N--CA 1.456 -0.163 0 C-N-CA 123.007 0.523 . . . . 0.0 110.653 -178.826 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.2 t . . . . . 0 N--CA 1.461 0.095 0 N-CA-C 114.212 1.19 . . . . 0.0 114.212 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -63.59 -10.73 19.92 Favored 'General case' 0 CA--C 1.53 0.18 0 O-C-N 121.521 -0.737 . . . . 0.0 110.609 177.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -61.77 -32.45 72.71 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 123.487 0.715 . . . . 0.0 110.544 174.384 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -85.65 -39.45 17.27 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 177.3 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 p -73.05 -27.2 61.6 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 115.002 1.482 . . . . 0.0 115.002 -177.09 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -64.27 -30.64 71.68 Favored 'General case' 0 N--CA 1.457 -0.117 0 O-C-N 122.002 -0.437 . . . . 0.0 110.067 178.541 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.29 -29.53 47.92 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 119.828 -0.129 . . . . 0.0 110.843 177.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 95.7 mt -76.96 -36.31 25.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 CA-C-N 118.023 0.374 . . . . 0.0 110.772 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 87.2 mt -66.21 -20.44 66.13 Favored 'General case' 0 N--CA 1.455 -0.219 0 O-C-N 122.096 -0.377 . . . . 0.0 110.648 179.25 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.62 -30.99 41.59 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 117.87 0.304 . . . . 0.0 110.663 174.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 63.7 t . . . . . 0 C--N 1.339 0.137 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 178.767 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.7 t . . . . . 0 N--CA 1.462 0.158 0 N-CA-C 110.613 -0.143 . . . . 0.0 110.613 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -62.23 -13.05 23.97 Favored 'General case' 0 CA--C 1.531 0.25 0 O-C-N 121.612 -0.68 . . . . 0.0 111.731 178.667 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 50.0 pttt -69.02 -25.69 64.62 Favored 'General case' 0 C--N 1.338 0.108 0 CA-C-N 118.444 0.565 . . . . 0.0 110.342 178.261 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 65.0 tp -85.48 -39.43 17.48 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 176.466 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 p -65.89 -28.33 68.87 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 114.274 1.212 . . . . 0.0 114.274 179.36 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 58.6 tptt -63.57 -28.19 69.76 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 122.192 0.197 . . . . 0.0 110.531 176.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.47 -29.86 22.47 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 122.198 0.199 . . . . 0.0 111.05 177.027 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 82.3 mt -73.65 -36.98 48.49 Favored 'Isoleucine or valine' 0 C--N 1.339 0.137 0 O-C-N 122.25 -0.281 . . . . 0.0 111.213 -179.054 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.2 mp -67.83 -15.19 63.51 Favored 'General case' 0 CA--C 1.531 0.23 0 O-C-N 122.083 -0.386 . . . . 0.0 110.478 178.537 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.72 -21.73 28.13 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 118.022 0.374 . . . . 0.0 110.746 174.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 57.2 t . . . . . 0 CA--C 1.529 0.143 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 179.902 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.9 t . . . . . 0 C--O 1.23 0.064 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -62.87 -11.83 20.87 Favored 'General case' 0 C--O 1.226 -0.161 0 O-C-N 122.003 -0.436 . . . . 0.0 110.476 174.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -62.6 -31.62 72.49 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 123.998 0.919 . . . . 0.0 110.618 175.258 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -84.25 -38.03 21.0 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 177.269 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.4 p -74.9 -29.92 61.13 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 115.414 1.635 . . . . 0.0 115.414 -175.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -65.33 -24.11 67.18 Favored 'General case' 0 C--N 1.339 0.114 0 CA-C-N 118.481 0.582 . . . . 0.0 110.676 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.62 -31.44 32.42 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 122.188 0.195 . . . . 0.0 110.823 176.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 95.2 mt -75.85 -35.74 30.98 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.128 0 O-C-N 122.256 -0.277 . . . . 0.0 110.616 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.8 mt -67.2 -14.84 63.29 Favored 'General case' 0 N--CA 1.453 -0.292 0 O-C-N 121.937 -0.477 . . . . 0.0 111.136 178.461 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.84 -21.95 26.09 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 122.204 0.202 . . . . 0.0 110.788 174.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 63.1 t . . . . . 0 CA--C 1.53 0.174 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 -179.802 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.6 t . . . . . 0 N--CA 1.463 0.179 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -63.35 -13.05 35.07 Favored 'General case' 0 C--O 1.231 0.128 0 O-C-N 121.48 -0.762 . . . . 0.0 111.773 -177.591 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.3 pttt -68.16 -22.77 64.83 Favored 'General case' 0 C--N 1.339 0.117 0 CA-C-N 118.029 0.377 . . . . 0.0 110.47 176.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 63.7 tp -90.15 -40.56 12.15 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 175.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.4 p -66.95 -26.93 67.07 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 114.467 1.284 . . . . 0.0 114.467 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -62.84 -29.05 70.44 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 117.859 0.299 . . . . 0.0 110.565 176.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.27 -31.1 23.28 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 122.453 0.301 . . . . 0.0 111.022 176.527 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 92.6 mt -73.82 -37.4 48.36 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.053 0 CA-C-N 118.029 0.377 . . . . 0.0 111.203 -178.542 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.5 mp -67.29 -14.55 63.02 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 118.05 0.386 . . . . 0.0 110.65 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.53 -22.45 28.13 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 117.949 0.341 . . . . 0.0 110.858 174.661 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 69.6 t . . . . . 0 CA--C 1.53 0.184 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.992 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 25.9 t . . . . . 0 CA--C 1.531 0.231 0 N-CA-C 111.494 0.183 . . . . 0.0 111.494 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -62.11 -16.35 51.79 Favored 'General case' 0 C--N 1.341 0.225 0 O-C-N 121.93 -0.481 . . . . 0.0 110.719 176.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.408 ' HE2' ' HB3' ' A' ' 10' ' ' LYS . 3.9 tmmm? -67.16 -28.33 68.03 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 122.652 0.381 . . . . 0.0 110.373 176.033 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 70.0 tp -82.65 -37.76 24.45 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 175.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.6 p -65.52 -29.57 70.23 Favored 'General case' 0 CA--C 1.52 -0.196 0 N-CA-C 114.206 1.188 . . . . 0.0 114.206 178.492 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -62.41 -28.48 69.82 Favored 'General case' 0 C--O 1.23 0.065 0 O-C-N 122.189 -0.319 . . . . 0.0 110.3 178.019 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.99 -30.0 21.57 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 122.438 0.295 . . . . 0.0 111.576 176.547 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 85.0 mt -76.98 -38.59 28.43 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.104 0 O-C-N 122.058 -0.401 . . . . 0.0 111.344 -178.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.5 mp -67.79 -20.31 65.19 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.38 -21.45 53.2 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 117.807 0.276 . . . . 0.0 110.737 175.027 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.0 t . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 178.894 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 92.9 t . . . . . 0 N--CA 1.465 0.281 0 N-CA-C 110.835 -0.061 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 37.4 mtmm -63.21 -12.92 32.05 Favored 'General case' 0 CA--C 1.531 0.234 0 O-C-N 121.703 -0.623 . . . . 0.0 111.573 179.225 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 49.5 pttt -68.22 -25.13 65.06 Favored 'General case' 0 C--N 1.34 0.157 0 CA-C-N 118.253 0.479 . . . . 0.0 109.848 177.324 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 78.4 mt -84.38 -42.79 15.35 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 175.172 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 p -69.67 -29.28 66.7 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 114.406 1.261 . . . . 0.0 114.406 -175.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -61.28 -29.82 70.1 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 117.628 0.195 . . . . 0.0 110.571 179.058 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.32 -28.34 34.6 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 122.081 0.153 . . . . 0.0 110.895 177.149 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 86.0 mt -72.4 -34.61 49.29 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.084 0 CA-C-N 117.786 0.266 . . . . 0.0 110.747 -178.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.1 mp -66.81 -23.4 66.04 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 118.087 0.403 . . . . 0.0 110.057 177.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.66 -27.62 45.25 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 117.742 0.247 . . . . 0.0 110.588 177.209 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.9 t . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 178.234 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.2 t . . . . . 0 CA--C 1.528 0.122 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -62.16 -12.01 17.46 Favored 'General case' 0 CA--C 1.529 0.137 0 O-C-N 121.609 -0.682 . . . . 0.0 110.891 177.491 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -62.49 -31.63 72.41 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.704 0.802 . . . . 0.0 110.275 174.737 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -86.04 -39.81 16.42 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 122.937 0.495 . . . . 0.0 109.699 176.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 p -71.77 -27.82 63.22 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 115.053 1.501 . . . . 0.0 115.053 -177.143 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 58.1 tptt -62.91 -31.99 73.18 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 118.03 0.377 . . . . 0.0 110.312 178.731 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.56 -27.69 51.59 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 122.102 0.161 . . . . 0.0 111.295 176.47 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 86.2 mt -79.25 -38.76 20.42 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 O-C-N 122.155 -0.341 . . . . 0.0 111.054 -178.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.2 mp -67.28 -20.14 65.59 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.894 -0.504 . . . . 0.0 109.902 178.583 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.75 -31.89 57.38 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 117.816 0.28 . . . . 0.0 110.332 175.29 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 51.7 t . . . . . 0 N--CA 1.457 -0.106 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 177.506 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.6 t . . . . . 0 CA--C 1.527 0.078 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -62.38 -13.95 34.8 Favored 'General case' 0 CA--C 1.527 0.08 0 O-C-N 121.519 -0.738 . . . . 0.0 112.115 -176.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 52.3 pttt -67.83 -22.38 65.15 Favored 'General case' 0 C--N 1.339 0.136 0 CA-C-N 118.29 0.496 . . . . 0.0 110.518 176.721 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 64.6 tp -91.81 -39.17 11.91 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 175.308 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.4 p -67.63 -24.8 65.5 Favored 'General case' 0 CA--C 1.521 -0.153 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -65.64 -29.42 69.99 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 176.467 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.8 -31.44 23.89 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 122.279 0.232 . . . . 0.0 111.263 177.028 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 88.7 mt -73.13 -36.55 50.61 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.111 0 O-C-N 122.341 -0.224 . . . . 0.0 110.95 -179.262 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 76.4 mt -67.7 -15.27 63.55 Favored 'General case' 0 N--CA 1.454 -0.234 0 O-C-N 122.151 -0.343 . . . . 0.0 110.84 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.2 -22.79 26.75 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 117.933 0.333 . . . . 0.0 110.567 174.794 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.4 t . . . . . 0 CA--C 1.527 0.063 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 179.198 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 99.9 t . . . . . 0 CA--C 1.532 0.269 0 CA-C-O 119.803 -0.142 . . . . 0.0 111.293 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -59.4 -15.96 20.1 Favored 'General case' 0 C--N 1.343 0.285 0 O-C-N 121.114 -0.991 . . . . 0.0 110.614 175.42 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -60.14 -28.35 67.83 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 123.631 0.772 . . . . 0.0 110.655 175.379 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 66.4 tp -91.37 -36.79 13.62 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 176.348 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.4 p -67.42 -32.99 74.25 Favored 'General case' 0 C--O 1.227 -0.08 0 N-CA-C 114.63 1.345 . . . . 0.0 114.63 -179.477 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -66.9 -23.51 66.0 Favored 'General case' 0 C--N 1.339 0.139 0 CA-C-N 118.272 0.487 . . . . 0.0 111.102 176.67 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.27 -33.12 24.07 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 110.611 -0.144 . . . . 0.0 110.611 175.347 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 76.2 mt -73.52 -35.44 45.13 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 O-C-N 122.476 -0.14 . . . . 0.0 110.886 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 74.7 mt -67.12 -15.16 63.54 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 122.192 -0.317 . . . . 0.0 111.022 179.044 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.61 -22.82 24.53 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 122.341 0.256 . . . . 0.0 110.731 175.08 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 64.7 t . . . . . 0 CA--C 1.529 0.142 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 179.304 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.4 t . . . . . 0 CA--C 1.533 0.31 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -64.61 -8.02 12.68 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 118.982 0.81 . . . . 0.0 112.501 -177.375 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 48.8 pttt -68.94 -22.14 64.16 Favored 'General case' 0 C--O 1.226 -0.139 0 CA-C-N 118.643 0.656 . . . . 0.0 110.057 175.373 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 63.9 tp -91.41 -40.38 11.46 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 174.76 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.4 p -65.63 -33.5 76.05 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 114.403 1.26 . . . . 0.0 114.403 -178.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.28 -19.02 65.7 Favored 'General case' 0 N--CA 1.457 -0.094 0 CA-C-N 118.282 0.492 . . . . 0.0 110.697 178.43 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.95 -24.24 18.46 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 122.374 0.27 . . . . 0.0 110.579 174.762 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 58.9 mt -73.58 -35.84 45.85 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 O-C-N 122.123 -0.361 . . . . 0.0 110.682 178.17 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.02 -18.02 64.94 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 118.273 0.488 . . . . 0.0 110.36 178.368 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.83 -10.74 41.61 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 111.884 0.328 . . . . 0.0 111.884 177.461 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 82.4 t . . . . . 0 C--O 1.232 0.153 0 N-CA-C 112.111 0.412 . . . . 0.0 112.111 -174.961 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 82.9 t . . . . . 0 CA--C 1.531 0.24 0 CA-C-O 119.772 -0.156 . . . . 0.0 110.738 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -62.73 -13.8 37.0 Favored 'General case' 0 CA--C 1.53 0.194 0 O-C-N 121.682 -0.636 . . . . 0.0 111.683 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 49.9 pttt -67.46 -24.46 65.62 Favored 'General case' 0 CA--C 1.528 0.106 0 CA-C-N 118.491 0.587 . . . . 0.0 110.014 177.362 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.9 mt -85.53 -42.6 14.26 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 122.992 0.517 . . . . 0.0 109.613 175.17 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.4 p -70.28 -27.77 64.68 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 114.595 1.331 . . . . 0.0 114.595 -176.092 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -64.05 -30.21 71.3 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 110.533 -0.173 . . . . 0.0 110.533 179.093 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.9 -28.52 39.83 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 122.207 0.203 . . . . 0.0 110.876 177.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 94.9 mt -74.85 -35.92 37.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 O-C-N 122.176 -0.328 . . . . 0.0 110.578 -179.658 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 91.3 mt -67.39 -15.02 63.44 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 122.287 -0.258 . . . . 0.0 111.067 179.173 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.61 -23.19 25.83 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 122.324 0.249 . . . . 0.0 110.364 175.455 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.1 t . . . . . 0 C--O 1.23 0.055 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 -179.303 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.5 t . . . . . 0 CA--C 1.532 0.269 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 36.2 mtmm -63.27 -13.58 39.84 Favored 'General case' 0 N--CA 1.462 0.144 0 O-C-N 121.392 -0.817 . . . . 0.0 111.856 -177.359 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 53.0 pttt -67.85 -23.21 65.12 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 118.22 0.464 . . . . 0.0 110.354 177.37 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 69.1 tp -89.8 -39.72 12.93 Favored 'General case' 0 N--CA 1.457 -0.124 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 175.301 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 p -68.19 -27.56 66.5 Favored 'General case' 0 CA--C 1.52 -0.182 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 -179.672 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 58.4 tptt -62.39 -29.89 70.81 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 177.254 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.9 -34.96 24.42 Favored 'General case' 0 N--CA 1.456 -0.172 0 O-C-N 122.428 -0.17 . . . . 0.0 110.937 176.561 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 88.0 mt -69.74 -34.25 60.0 Favored 'Isoleucine or valine' 0 C--O 1.231 0.114 0 CA-C-N 118.031 0.378 . . . . 0.0 111.438 -178.323 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.9 mp -69.1 -16.85 63.77 Favored 'General case' 0 CA--C 1.531 0.216 0 O-C-N 121.895 -0.503 . . . . 0.0 110.179 178.305 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.71 -17.36 30.09 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 118.078 0.399 . . . . 0.0 111.632 176.745 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 51.8 t . . . . . 0 CA--C 1.531 0.247 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 -179.927 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.0 t . . . . . 0 CA--C 1.529 0.149 0 N-CA-C 114.209 1.188 . . . . 0.0 114.209 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -62.61 -14.6 44.77 Favored 'General case' 0 N--CA 1.461 0.117 0 O-C-N 121.276 -0.89 . . . . 0.0 110.4 176.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -60.1 -31.3 69.9 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.228 0.611 . . . . 0.0 110.456 174.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 57.6 mt -84.68 -40.76 16.99 Favored 'General case' 0 N--CA 1.452 -0.346 0 O-C-N 123.15 0.281 . . . . 0.0 110.369 176.593 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 p -70.68 -33.9 71.41 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 115.158 1.54 . . . . 0.0 115.158 -175.546 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -63.83 -21.98 66.69 Favored 'General case' 0 C--N 1.339 0.139 0 CA-C-N 118.036 0.38 . . . . 0.0 111.506 178.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.44 -31.2 24.73 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 122.093 0.157 . . . . 0.0 110.776 175.177 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 84.7 mt -77.64 -37.96 25.04 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.058 0 C-N-CA 122.408 0.283 . . . . 0.0 110.845 -178.487 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.1 mp -67.07 -15.53 63.78 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 118.03 0.377 . . . . 0.0 110.36 178.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.3 -21.12 25.94 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 122.566 0.347 . . . . 0.0 111.124 175.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 42.2 t . . . . . 0 C--N 1.339 0.14 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 -179.074 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 43.8 t90 . . . . . 0 N--CA 1.474 0.748 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -155.79 76.15 4.87 Favored Pre-proline 0 CA--C 1.532 0.286 0 C-N-CA 123.195 0.598 . . . . 0.0 111.275 178.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -71.45 -21.46 26.13 Favored 'Trans proline' 0 N--CA 1.457 -0.676 0 C-N-CA 123.849 3.033 . . . . 0.0 111.935 -178.116 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 21.5 p90 -162.58 -38.28 0.04 OUTLIER 'General case' 0 N--CA 1.461 0.092 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 176.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -150.63 -39.54 0.13 Allowed 'General case' 0 C--O 1.225 -0.209 0 N-CA-C 116.631 2.086 . . . . 0.0 116.631 176.002 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.74 21.41 1.37 Allowed 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -176.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.44 -6.05 55.32 Favored Glycine 0 CA--C 1.529 0.929 0 CA-C-O 119.373 -0.682 . . . . 0.0 113.772 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 93.9 t -67.87 -19.81 25.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-N 118.519 1.16 . . . . 0.0 111.761 -177.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -63.84 -8.79 11.94 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 118.976 0.807 . . . . 0.0 112.453 -178.17 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 50.4 pttt -66.09 -21.1 66.35 Favored 'General case' 0 CA--C 1.528 0.11 0 CA-C-N 118.456 0.571 . . . . 0.0 110.221 174.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 63.2 tp -98.34 -40.53 8.27 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 122.774 0.43 . . . . 0.0 110.086 175.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 p -67.42 -24.62 65.67 Favored 'General case' 0 C--N 1.338 0.084 0 N-CA-C 114.587 1.329 . . . . 0.0 114.587 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -70.49 -30.3 67.05 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 117.929 0.331 . . . . 0.0 110.654 176.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.45 -38.75 40.46 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 176.299 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 84.0 mt -67.21 -30.23 48.58 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 179.169 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 70.0 tp -63.39 -22.84 67.12 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 122.833 0.453 . . . . 0.0 111.233 179.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -89.77 -19.92 24.15 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 122.595 0.358 . . . . 0.0 111.181 177.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 74.0 t -81.02 -41.88 19.65 Favored 'Isoleucine or valine' 0 C--O 1.231 0.096 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 -178.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 55.9 ptt85 -89.84 159.76 16.83 Favored 'General case' 0 C--N 1.338 0.074 0 CA-C-O 121.023 0.44 . . . . 0.0 111.031 -179.249 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.7 162.4 29.53 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 123.405 0.682 . . . . 0.0 110.861 178.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.15 0 O-C-N 122.193 -0.317 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 47.5 t90 . . . . . 0 N--CA 1.472 0.661 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -155.73 75.1 5.1 Favored Pre-proline 0 CA--C 1.533 0.31 0 C-N-CA 123.365 0.666 . . . . 0.0 111.354 177.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -70.54 -21.77 29.38 Favored 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 123.64 2.893 . . . . 0.0 112.214 -178.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 22.7 p90 -161.29 -41.21 0.04 OUTLIER 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 176.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -148.91 -38.45 0.16 Allowed 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 116.27 1.952 . . . . 0.0 116.27 176.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.16 21.5 1.09 Allowed 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.47 -5.69 58.85 Favored Glycine 0 CA--C 1.529 0.962 0 CA-C-O 119.58 -0.567 . . . . 0.0 113.372 179.332 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 86.7 t -65.23 -19.84 26.41 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-N 118.207 1.003 . . . . 0.0 110.937 -179.38 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.68 -5.73 6.34 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.521 -0.737 . . . . 0.0 112.964 -178.061 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 50.9 pttt -72.31 -23.27 61.14 Favored 'General case' 0 C--N 1.339 0.143 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 173.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 85.2 mt -88.7 -43.01 11.62 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 123.208 0.603 . . . . 0.0 109.82 175.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 p -67.47 -27.65 67.2 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 114.461 1.282 . . . . 0.0 114.461 -176.279 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -67.08 -29.59 69.39 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 117.77 0.259 . . . . 0.0 110.651 177.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.71 -28.77 45.12 Favored 'General case' 0 N--CA 1.456 -0.169 0 O-C-N 122.402 -0.186 . . . . 0.0 110.754 177.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 95.2 mt -72.53 -34.15 47.24 Favored 'Isoleucine or valine' 0 C--N 1.339 0.141 0 O-C-N 122.364 -0.21 . . . . 0.0 110.471 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 97.9 mt -66.1 -19.49 65.86 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 118.074 0.397 . . . . 0.0 111.031 178.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.92 -28.5 32.78 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 117.762 0.256 . . . . 0.0 110.547 175.525 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 77.1 t -79.2 -31.4 14.52 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.9 mmt85 -79.61 -0.75 35.01 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 122.918 0.487 . . . . 0.0 112.113 177.278 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 57.95 176.63 0.06 Allowed 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.511 1.124 . . . . 0.0 112.903 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.161 0 O-C-N 121.902 -0.499 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' TRP . . . . . 0.496 ' CD1' ' HD3' ' A' ' 3' ' ' PRO . 23.1 t90 . . . . . 0 N--CA 1.469 0.522 0 CA-C-O 119.328 -0.368 . . . . 0.0 110.024 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 43.07 56.73 11.74 Favored Pre-proline 0 CA--C 1.534 0.361 0 N-CA-C 116.871 2.174 . . . . 0.0 116.871 172.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.496 ' HD3' ' CD1' ' A' ' 1' ' ' TRP . 62.9 Cg_endo -67.02 -20.68 50.44 Favored 'Trans proline' 0 N--CA 1.456 -0.693 0 C-N-CA 123.559 2.839 . . . . 0.0 112.2 -176.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 32.5 p90 -160.25 -37.65 0.05 Allowed 'General case' 0 CA--C 1.528 0.117 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 175.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -168.22 -31.89 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 105.434 -2.062 . . . . 0.0 105.434 -179.48 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 52.9 -155.48 0.19 Allowed 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 118.36 0.527 . . . . 0.0 111.405 179.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.28 9.62 4.11 Favored Glycine 0 CA--C 1.53 1.021 0 CA-C-O 119.509 -0.606 . . . . 0.0 113.815 -177.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 98.9 t -60.61 -16.7 13.61 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 CA-C-N 118.552 1.176 . . . . 0.0 110.654 -179.345 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -62.82 -13.4 33.05 Favored 'General case' 0 C--N 1.34 0.164 0 O-C-N 121.895 -0.503 . . . . 0.0 111.49 179.318 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 49.9 pttt -68.07 -27.1 66.21 Favored 'General case' 0 C--N 1.342 0.245 0 CA-C-N 118.493 0.588 . . . . 0.0 110.389 178.365 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 65.2 tp -84.08 -39.24 19.8 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 176.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.7 p -66.8 -27.49 67.61 Favored 'General case' 0 C--N 1.333 -0.138 0 N-CA-C 114.026 1.121 . . . . 0.0 114.026 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -63.27 -29.23 70.6 Favored 'General case' 0 C--N 1.34 0.155 0 CA-C-O 120.426 0.155 . . . . 0.0 110.621 177.152 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.94 -28.93 23.98 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 122.374 0.27 . . . . 0.0 110.95 177.255 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 84.6 mt -74.58 -36.23 40.48 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 CA-C-N 117.956 0.344 . . . . 0.0 110.747 -179.102 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.1 mp -67.53 -20.67 65.46 Favored 'General case' 0 CA--C 1.527 0.095 0 O-C-N 121.985 -0.447 . . . . 0.0 109.8 178.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.99 -30.08 44.14 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 118.005 0.366 . . . . 0.0 110.519 175.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.5 t -76.15 -32.17 22.38 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.155 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 177.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.9 mmm180 -81.59 3.22 25.93 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 122.938 0.495 . . . . 0.0 111.719 176.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 55.0 26.02 7.54 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.782 0.833 . . . . 0.0 112.666 179.284 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.173 0 O-C-N 121.833 -0.542 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 56.2 t90 . . . . . 0 N--CA 1.473 0.723 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.8 p30 -151.77 54.82 1.41 Allowed Pre-proline 0 CA--C 1.537 0.455 0 N-CA-C 114.806 1.41 . . . . 0.0 114.806 -177.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -67.97 -12.88 36.7 Favored 'Trans proline' 0 N--CA 1.46 -0.492 0 C-N-CA 123.614 2.876 . . . . 0.0 110.932 178.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 7.9 p90 -158.69 -167.56 2.17 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 101.609 -3.478 . . . . 0.0 101.609 173.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -44.16 -36.02 2.46 Favored 'General case' 0 C--O 1.226 -0.162 0 N-CA-C 117.146 2.276 . . . . 0.0 117.146 178.12 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 49.53 20.68 0.51 Allowed 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.75 -3.59 67.99 Favored Glycine 0 CA--C 1.529 0.963 0 CA-C-O 119.621 -0.544 . . . . 0.0 113.646 179.202 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.9 t -64.45 -23.82 34.25 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-N 118.372 1.086 . . . . 0.0 111.979 -177.049 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -65.94 -7.4 16.53 Favored 'General case' 0 C--N 1.339 0.122 0 CA-C-N 119.19 0.905 . . . . 0.0 112.298 -177.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 49.5 pttt -68.5 -22.76 64.52 Favored 'General case' 0 N--CA 1.457 -0.116 0 CA-C-N 118.942 0.792 . . . . 0.0 109.546 174.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 88.8 mt -88.97 -43.37 11.19 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.263 0.625 . . . . 0.0 109.444 174.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 p -69.99 -30.68 68.07 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 114.871 1.434 . . . . 0.0 114.871 -175.298 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -64.86 -23.96 67.39 Favored 'General case' 0 C--N 1.34 0.181 0 CA-C-N 118.123 0.42 . . . . 0.0 110.618 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -82.56 -29.11 30.53 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 117.589 0.177 . . . . 0.0 110.679 176.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 96.0 mt -73.48 -35.33 45.14 Favored 'Isoleucine or valine' 0 C--N 1.339 0.12 0 O-C-N 122.319 -0.238 . . . . 0.0 110.661 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.0 mp -67.14 -17.18 64.74 Favored 'General case' 0 CA--C 1.529 0.161 0 O-C-N 122.097 -0.377 . . . . 0.0 110.51 178.341 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.08 -20.74 28.3 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 118.039 0.381 . . . . 0.0 110.957 175.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.0 t -85.77 -28.6 6.23 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 50.5 mtp180 -70.4 155.78 40.22 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-O 120.921 0.391 . . . . 0.0 111.347 177.448 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.25 -3.27 35.61 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.286 0.634 . . . . 0.0 112.024 -179.315 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 -0.017 0 O-C-N 121.764 -0.585 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 64.9 t90 . . . . . 0 N--CA 1.472 0.654 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -159.6 72.43 3.29 Favored Pre-proline 0 CA--C 1.533 0.322 0 C-N-CA 122.823 0.449 . . . . 0.0 110.319 175.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -72.32 -25.33 18.63 Favored 'Trans proline' 0 N--CA 1.452 -0.92 0 C-N-CA 123.629 2.886 . . . . 0.0 112.46 -177.227 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -162.48 -45.7 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 116.515 2.042 . . . . 0.0 116.515 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . 0.299 33.4 m-85 -145.87 32.89 1.02 Allowed 'General case' 0 C--O 1.23 0.06 0 N-CA-C 116.532 2.049 . . . . 0.0 116.532 -175.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.41 -9.23 31.74 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -177.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.3 1.26 0.03 OUTLIER Glycine 0 CA--C 1.529 0.933 0 O-C-N 122.144 -0.348 . . . . 0.0 113.078 179.086 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.0 t -64.64 -16.51 19.71 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.126 0 N-CA-C 114.225 1.195 . . . . 0.0 114.225 -177.119 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -64.16 -12.56 41.19 Favored 'General case' 0 C--O 1.232 0.136 0 O-C-N 121.454 -0.779 . . . . 0.0 112.064 -176.563 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 52.8 pttt -67.39 -23.29 65.56 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 118.342 0.519 . . . . 0.0 109.763 176.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 71.9 mt -89.08 -43.97 10.69 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 174.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.4 p -69.31 -27.84 65.74 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 114.846 1.424 . . . . 0.0 114.846 -176.327 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -62.29 -30.68 71.31 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 117.999 0.363 . . . . 0.0 110.553 179.36 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.7 -27.5 45.0 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 122.279 0.231 . . . . 0.0 110.729 176.494 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 88.7 mt -76.72 -36.26 26.54 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.089 0 CA-C-N 117.698 0.226 . . . . 0.0 110.822 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -67.43 -17.06 64.56 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 121.936 -0.477 . . . . 0.0 110.417 177.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.43 -22.62 32.6 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 117.804 0.274 . . . . 0.0 110.757 175.525 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.7 t -85.51 -30.99 6.58 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 179.207 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -71.69 162.5 29.35 Favored 'General case' 0 C--O 1.231 0.13 0 C-N-CA 122.547 0.339 . . . . 0.0 111.002 177.394 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -154.35 163.33 40.33 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.129 0.571 . . . . 0.0 110.519 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.231 0 O-C-N 122.148 -0.345 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' TRP . . . . . 0.504 ' CZ3' ' HB1' ' A' ' 6' ' ' ALA . 64.0 t90 . . . . . 0 N--CA 1.476 0.844 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 15.3 p30 -152.38 54.57 1.29 Allowed Pre-proline 0 CA--C 1.535 0.394 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 -179.165 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -70.53 -9.67 26.33 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 123.573 2.849 . . . . 0.0 112.41 -176.142 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.434 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 2.1 p90 -163.67 -158.82 0.47 Allowed 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 103.407 -2.812 . . . . 0.0 103.407 -179.745 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.434 ' N ' ' CG ' ' A' ' 4' ' ' TYR 0.269 41.0 m-85 -60.49 38.2 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 117.88 2.548 . . . . 0.0 117.88 173.74 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.504 ' HB1' ' CZ3' ' A' ' 1' ' ' TRP . . . -61.68 -17.12 54.3 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.715 0.806 . . . . 0.0 112.152 179.746 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.07 3.84 0.03 OUTLIER Glycine 0 CA--C 1.529 0.925 0 C-N-CA 123.738 0.685 . . . . 0.0 112.173 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.6 t -63.68 -17.68 20.71 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.131 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 -176.212 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 35.5 mtmm -64.04 -14.36 53.75 Favored 'General case' 0 C--N 1.34 0.189 0 CA-C-N 119.062 0.846 . . . . 0.0 111.057 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.6 tmmm? -63.93 -25.91 68.36 Favored 'General case' 0 CA--C 1.527 0.068 0 C-N-CA 122.973 0.509 . . . . 0.0 110.253 174.425 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 93.4 mt -88.21 -45.14 10.33 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 173.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.4 p -67.86 -27.91 67.09 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 115.104 1.52 . . . . 0.0 115.104 -175.107 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -63.33 -30.0 71.21 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 118.04 0.382 . . . . 0.0 110.685 178.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -82.49 -31.1 29.48 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 122.156 0.182 . . . . 0.0 111.086 177.143 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 91.5 mt -75.61 -37.26 36.29 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.038 0 O-C-N 122.286 -0.259 . . . . 0.0 110.996 -178.314 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.2 mt -66.84 -16.97 64.65 Favored 'General case' 0 CA--C 1.528 0.127 0 O-C-N 122.042 -0.412 . . . . 0.0 110.865 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.68 -28.44 30.62 Favored 'General case' 0 N--CA 1.452 -0.326 0 O-C-N 122.202 -0.311 . . . . 0.0 110.365 174.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 57.9 t -80.33 -32.73 13.62 Favored 'Isoleucine or valine' 0 C--N 1.339 0.15 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -78.69 -0.74 31.3 Favored 'General case' 0 C--N 1.34 0.169 0 C-N-CA 123.141 0.576 . . . . 0.0 111.765 177.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 58.02 177.11 0.06 Allowed 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.532 1.133 . . . . 0.0 112.741 -179.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.085 0 O-C-N 121.891 -0.505 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 44.5 t90 . . . . . 0 N--CA 1.474 0.76 0 CA-C-O 120.45 0.167 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -124.25 50.73 3.9 Favored Pre-proline 0 CA--C 1.538 0.481 0 N-CA-C 114.979 1.474 . . . . 0.0 114.979 -176.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -66.3 -23.12 52.21 Favored 'Trans proline' 0 N--CA 1.457 -0.674 0 C-N-CA 123.175 2.584 . . . . 0.0 111.208 -179.521 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 24.1 p90 -164.46 -168.48 1.53 Allowed 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 102.305 -3.22 . . . . 0.0 102.305 175.476 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.412 ' CD1' ' HG3' ' A' ' 9' ' ' LYS . 25.1 m-85 -43.74 -35.16 1.74 Allowed 'General case' 0 C--O 1.227 -0.096 0 N-CA-C 117.307 2.336 . . . . 0.0 117.307 178.319 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 50.29 20.02 0.6 Allowed 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 177.188 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.82 1.75 65.37 Favored Glycine 0 CA--C 1.531 1.033 0 CA-C-O 119.55 -0.583 . . . . 0.0 114.017 179.495 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 93.0 t -65.7 -16.0 19.68 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.131 0 CA-C-N 118.243 1.022 . . . . 0.0 111.53 -178.138 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.412 ' HG3' ' CD1' ' A' ' 5' ' ' PHE . 59.1 mtpt -61.19 -14.74 27.57 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 119.26 0.936 . . . . 0.0 112.283 -177.674 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.4 pttt -65.76 -22.96 66.63 Favored 'General case' 0 C--N 1.338 0.102 0 CA-C-N 118.671 0.669 . . . . 0.0 110.254 176.366 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 78.3 mt -88.78 -40.43 13.2 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 122.805 0.442 . . . . 0.0 109.962 174.24 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 p -69.15 -31.36 69.96 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 114.938 1.459 . . . . 0.0 114.938 -175.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -63.6 -26.56 68.74 Favored 'General case' 0 CA--C 1.526 0.049 0 CA-C-N 118.126 0.421 . . . . 0.0 111.343 177.365 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.85 -23.36 31.38 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 121.984 0.114 . . . . 0.0 111.265 176.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 60.1 mt -81.41 -38.19 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 CA-C-O 119.387 -0.34 . . . . 0.0 110.804 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.5 mp -66.92 -18.66 65.49 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 118.024 0.375 . . . . 0.0 110.391 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.45 -20.79 42.99 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 122.337 0.255 . . . . 0.0 110.729 175.247 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 62.1 t -99.26 -77.43 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 C-N-CA 123.007 0.523 . . . . 0.0 110.653 -178.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 49.8 mtm105 53.28 -179.74 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.748 1.219 . . . . 0.0 113.605 -177.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -155.08 164.86 38.27 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.091 0.556 . . . . 0.0 110.461 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.207 0 O-C-N 122.25 -0.281 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 59.5 t90 . . . . . 0 N--CA 1.474 0.751 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -158.2 74.62 3.83 Favored Pre-proline 0 CA--C 1.531 0.225 0 C-N-CA 123.416 0.686 . . . . 0.0 111.328 176.413 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -73.99 -25.83 13.68 Favored 'Trans proline' 0 N--CA 1.453 -0.887 0 C-N-CA 123.679 2.92 . . . . 0.0 112.278 -176.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -163.33 -44.65 0.03 OUTLIER 'General case' 0 N--CA 1.461 0.094 0 N-CA-C 116.747 2.129 . . . . 0.0 116.747 -178.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . 0.295 29.9 m-85 -147.37 36.06 0.89 Allowed 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 116.399 2.0 . . . . 0.0 116.399 -175.365 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.12 72.21 1.18 Allowed 'General case' 0 N--CA 1.454 -0.275 0 O-C-N 122.175 -0.328 . . . . 0.0 110.906 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.23 -0.31 89.78 Favored Glycine 0 CA--C 1.528 0.847 0 O-C-N 122.337 -0.227 . . . . 0.0 113.17 177.342 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.2 t -70.32 -12.51 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.095 0 N-CA-C 114.212 1.19 . . . . 0.0 114.212 -177.194 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -63.59 -10.73 19.92 Favored 'General case' 0 CA--C 1.53 0.18 0 O-C-N 121.521 -0.737 . . . . 0.0 110.609 177.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -61.77 -32.45 72.71 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 123.487 0.715 . . . . 0.0 110.544 174.384 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -85.65 -39.45 17.27 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 177.3 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 p -73.05 -27.2 61.6 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 115.002 1.482 . . . . 0.0 115.002 -177.09 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -64.27 -30.64 71.68 Favored 'General case' 0 N--CA 1.457 -0.117 0 O-C-N 122.002 -0.437 . . . . 0.0 110.067 178.541 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.29 -29.53 47.92 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 119.828 -0.129 . . . . 0.0 110.843 177.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 95.7 mt -76.96 -36.31 25.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 CA-C-N 118.023 0.374 . . . . 0.0 110.772 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 87.2 mt -66.21 -20.44 66.13 Favored 'General case' 0 N--CA 1.455 -0.219 0 O-C-N 122.096 -0.377 . . . . 0.0 110.648 179.25 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.62 -30.99 41.59 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 117.87 0.304 . . . . 0.0 110.663 174.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 63.7 t -77.41 -32.57 18.79 Favored 'Isoleucine or valine' 0 C--N 1.339 0.137 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 178.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -78.98 2.83 19.01 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 122.901 0.481 . . . . 0.0 111.889 176.579 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 55.57 24.56 7.06 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.629 0.771 . . . . 0.0 112.849 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.132 0 O-C-N 121.888 -0.508 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 57.5 t90 . . . . . 0 N--CA 1.475 0.795 0 CA-C-O 120.562 0.22 . . . . 0.0 111.479 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 15.3 p30 -149.83 55.83 2.04 Favored Pre-proline 0 CA--C 1.536 0.408 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 -177.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -66.6 -18.25 53.73 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 123.751 2.967 . . . . 0.0 112.843 -174.201 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 31.6 p90 -157.25 -37.21 0.07 Allowed 'General case' 0 C--O 1.231 0.116 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 176.31 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -166.79 -33.79 0.03 OUTLIER 'General case' 0 N--CA 1.457 -0.12 0 N-CA-C 105.322 -2.103 . . . . 0.0 105.322 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.53 -153.08 0.2 Allowed 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 122.559 0.344 . . . . 0.0 111.276 179.5 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.01 9.15 5.51 Favored Glycine 0 CA--C 1.53 0.995 0 CA-C-O 119.161 -0.799 . . . . 0.0 113.784 -176.452 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.7 t -60.42 -16.36 12.46 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.158 0 CA-C-N 118.681 1.241 . . . . 0.0 110.613 -179.505 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -62.23 -13.05 23.97 Favored 'General case' 0 CA--C 1.531 0.25 0 O-C-N 121.612 -0.68 . . . . 0.0 111.731 178.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 50.0 pttt -69.02 -25.69 64.62 Favored 'General case' 0 C--N 1.338 0.108 0 CA-C-N 118.444 0.565 . . . . 0.0 110.342 178.261 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 65.0 tp -85.48 -39.43 17.48 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 176.466 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 p -65.89 -28.33 68.87 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 114.274 1.212 . . . . 0.0 114.274 179.36 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 58.6 tptt -63.57 -28.19 69.76 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 122.192 0.197 . . . . 0.0 110.531 176.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.47 -29.86 22.47 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 122.198 0.199 . . . . 0.0 111.05 177.027 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 82.3 mt -73.65 -36.98 48.49 Favored 'Isoleucine or valine' 0 C--N 1.339 0.137 0 O-C-N 122.25 -0.281 . . . . 0.0 111.213 -179.054 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.2 mp -67.83 -15.19 63.51 Favored 'General case' 0 CA--C 1.531 0.23 0 O-C-N 122.083 -0.386 . . . . 0.0 110.478 178.537 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.72 -21.73 28.13 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 118.022 0.374 . . . . 0.0 110.746 174.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 57.2 t -86.35 -33.75 7.51 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.143 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.2 mmm180 -73.29 164.04 27.24 Favored 'General case' 0 C--N 1.34 0.195 0 C-N-CA 122.579 0.352 . . . . 0.0 110.734 177.4 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -154.58 163.21 40.56 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.112 0.565 . . . . 0.0 110.408 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.117 0 O-C-N 122.408 -0.182 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 53.5 t90 . . . . . 0 N--CA 1.473 0.697 0 N-CA-C 111.524 0.194 . . . . 0.0 111.524 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -125.26 52.43 6.53 Favored Pre-proline 0 CA--C 1.533 0.302 0 N-CA-C 115.197 1.554 . . . . 0.0 115.197 -177.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -65.93 -23.22 54.74 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 123.127 2.551 . . . . 0.0 111.51 -178.191 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.405 ' CD2' ' N ' ' A' ' 5' ' ' PHE . 23.6 p90 -164.95 -151.57 0.15 Allowed 'General case' 0 C--O 1.234 0.247 0 N-CA-C 103.851 -2.648 . . . . 0.0 103.851 175.181 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.405 ' N ' ' CD2' ' A' ' 4' ' ' TYR . 1.3 t80 -54.03 -27.77 34.17 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 107.122 -1.436 . . . . 0.0 107.122 179.381 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 49.24 -147.48 0.3 Allowed 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.253 0.621 . . . . 0.0 111.101 177.344 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.01 5.48 18.3 Favored Glycine 0 CA--C 1.528 0.9 0 CA-C-O 119.565 -0.575 . . . . 0.0 113.697 -178.215 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.9 t -65.34 -14.55 16.97 Favored 'Isoleucine or valine' 0 C--O 1.23 0.064 0 CA-C-N 118.893 1.346 . . . . 0.0 112.145 -179.294 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -62.87 -11.83 20.87 Favored 'General case' 0 C--O 1.226 -0.161 0 O-C-N 122.003 -0.436 . . . . 0.0 110.476 174.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -62.6 -31.62 72.49 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 123.998 0.919 . . . . 0.0 110.618 175.258 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -84.25 -38.03 21.0 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 177.269 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.4 p -74.9 -29.92 61.13 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 115.414 1.635 . . . . 0.0 115.414 -175.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -65.33 -24.11 67.18 Favored 'General case' 0 C--N 1.339 0.114 0 CA-C-N 118.481 0.582 . . . . 0.0 110.676 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.62 -31.44 32.42 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 122.188 0.195 . . . . 0.0 110.823 176.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 95.2 mt -75.85 -35.74 30.98 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.128 0 O-C-N 122.256 -0.277 . . . . 0.0 110.616 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.8 mt -67.2 -14.84 63.29 Favored 'General case' 0 N--CA 1.453 -0.292 0 O-C-N 121.937 -0.477 . . . . 0.0 111.136 178.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.84 -21.95 26.09 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 122.204 0.202 . . . . 0.0 110.788 174.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 63.1 t -88.32 -32.77 6.1 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.4 mmt85 -74.82 162.76 28.36 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 122.734 0.413 . . . . 0.0 110.757 177.387 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -154.9 163.85 39.7 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 123.004 0.522 . . . . 0.0 110.459 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.114 0 O-C-N 122.149 -0.344 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' TRP . . . . . 0.529 ' CZ3' ' HB1' ' A' ' 6' ' ' ALA . 58.7 t90 . . . . . 0 N--CA 1.471 0.58 0 N-CA-C 111.511 0.189 . . . . 0.0 111.511 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.3 p30 -147.99 52.25 1.22 Allowed Pre-proline 0 CA--C 1.535 0.367 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 -178.049 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -65.53 -18.24 59.0 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 123.861 3.041 . . . . 0.0 112.199 -177.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 51.0 p90 -161.62 -157.2 0.48 Allowed 'General case' 0 C--O 1.231 0.118 0 N-CA-C 105.409 -2.071 . . . . 0.0 105.409 177.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . 0.285 42.8 m-85 -58.19 33.07 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 118.213 2.671 . . . . 0.0 118.213 173.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.529 ' HB1' ' CZ3' ' A' ' 1' ' ' TRP . . . -61.08 -16.26 42.02 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.75 0.82 . . . . 0.0 111.833 178.309 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.85 5.97 0.03 OUTLIER Glycine 0 CA--C 1.53 0.978 0 CA-C-O 120.093 -0.282 . . . . 0.0 112.779 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.6 t -64.44 -13.17 13.73 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 -176.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -63.35 -13.05 35.07 Favored 'General case' 0 C--O 1.231 0.128 0 O-C-N 121.48 -0.762 . . . . 0.0 111.773 -177.591 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.3 pttt -68.16 -22.77 64.83 Favored 'General case' 0 C--N 1.339 0.117 0 CA-C-N 118.029 0.377 . . . . 0.0 110.47 176.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 63.7 tp -90.15 -40.56 12.15 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 175.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.4 p -66.95 -26.93 67.07 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 114.467 1.284 . . . . 0.0 114.467 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -62.84 -29.05 70.44 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 117.859 0.299 . . . . 0.0 110.565 176.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.27 -31.1 23.28 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 122.453 0.301 . . . . 0.0 111.022 176.527 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 92.6 mt -73.82 -37.4 48.36 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.053 0 CA-C-N 118.029 0.377 . . . . 0.0 111.203 -178.542 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.5 mp -67.29 -14.55 63.02 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 118.05 0.386 . . . . 0.0 110.65 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.53 -22.45 28.13 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 117.949 0.341 . . . . 0.0 110.858 174.661 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 69.6 t -86.0 -29.35 6.15 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 72.3 mmt-85 -69.61 157.71 36.7 Favored 'General case' 0 C--O 1.23 0.071 0 CA-C-O 120.784 0.326 . . . . 0.0 110.824 177.387 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.1 -3.53 42.83 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.105 0.562 . . . . 0.0 111.954 -178.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.089 0 O-C-N 121.805 -0.559 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 55.5 t90 . . . . . 0 N--CA 1.472 0.664 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -156.16 74.79 4.9 Favored Pre-proline 0 CA--C 1.531 0.22 0 C-N-CA 123.06 0.544 . . . . 0.0 110.727 176.501 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -69.71 -16.85 37.96 Favored 'Trans proline' 0 N--CA 1.454 -0.807 0 C-N-CA 123.605 2.87 . . . . 0.0 112.788 -177.09 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 22.3 p90 -158.79 -44.65 0.06 Allowed 'General case' 0 C--O 1.231 0.129 0 N-CA-C 116.331 1.974 . . . . 0.0 116.331 177.596 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -169.12 35.52 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 -172.684 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.08 109.98 0.67 Allowed 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 121.079 0.466 . . . . 0.0 111.522 -172.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.72 5.17 36.69 Favored Glycine 0 CA--C 1.527 0.827 0 CA-C-O 119.195 -0.78 . . . . 0.0 113.979 176.247 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 25.9 t -68.4 -13.49 17.15 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-N 118.771 1.286 . . . . 0.0 111.494 -179.585 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -62.11 -16.35 51.79 Favored 'General case' 0 C--N 1.341 0.225 0 O-C-N 121.93 -0.481 . . . . 0.0 110.719 176.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.408 ' HE2' ' HB3' ' A' ' 10' ' ' LYS . 3.9 tmmm? -67.16 -28.33 68.03 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 122.652 0.381 . . . . 0.0 110.373 176.033 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 70.0 tp -82.65 -37.76 24.45 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 175.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.6 p -65.52 -29.57 70.23 Favored 'General case' 0 CA--C 1.52 -0.196 0 N-CA-C 114.206 1.188 . . . . 0.0 114.206 178.492 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -62.41 -28.48 69.82 Favored 'General case' 0 C--O 1.23 0.065 0 O-C-N 122.189 -0.319 . . . . 0.0 110.3 178.019 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.99 -30.0 21.57 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 122.438 0.295 . . . . 0.0 111.576 176.547 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 85.0 mt -76.98 -38.59 28.43 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.104 0 O-C-N 122.058 -0.401 . . . . 0.0 111.344 -178.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.5 mp -67.79 -20.31 65.19 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.38 -21.45 53.2 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 117.807 0.276 . . . . 0.0 110.737 175.027 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.0 t -91.83 -32.73 5.27 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 178.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 -80.58 -19.07 46.4 Favored 'General case' 0 CA--C 1.522 -0.122 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 -179.458 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -162.45 13.31 0.07 Allowed 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 112.673 0.619 . . . . 0.0 112.673 -175.553 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.068 0 O-C-N 121.65 -0.656 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 49.6 t90 . . . . . 0 N--CA 1.471 0.618 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -153.15 72.95 7.0 Favored Pre-proline 0 CA--C 1.537 0.443 0 C-N-CA 123.017 0.527 . . . . 0.0 111.56 179.205 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -70.82 -18.87 31.7 Favored 'Trans proline' 0 N--CA 1.454 -0.81 0 C-N-CA 123.924 3.083 . . . . 0.0 112.417 -178.529 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 26.6 p90 -160.58 -36.18 0.05 Allowed 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 114.806 1.41 . . . . 0.0 114.806 177.159 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -167.16 -32.48 0.02 OUTLIER 'General case' 0 C--N 1.341 0.196 0 N-CA-C 105.296 -2.113 . . . . 0.0 105.296 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.18 -152.23 0.21 Allowed 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 118.136 0.425 . . . . 0.0 111.908 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.37 8.74 8.74 Favored Glycine 0 CA--C 1.527 0.801 0 CA-C-O 119.127 -0.818 . . . . 0.0 113.584 -177.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 92.9 t -59.84 -17.29 13.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-N 118.869 1.334 . . . . 0.0 110.835 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 37.4 mtmm -63.21 -12.92 32.05 Favored 'General case' 0 CA--C 1.531 0.234 0 O-C-N 121.703 -0.623 . . . . 0.0 111.573 179.225 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 49.5 pttt -68.22 -25.13 65.06 Favored 'General case' 0 C--N 1.34 0.157 0 CA-C-N 118.253 0.479 . . . . 0.0 109.848 177.324 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 78.4 mt -84.38 -42.79 15.35 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 175.172 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 p -69.67 -29.28 66.7 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 114.406 1.261 . . . . 0.0 114.406 -175.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -61.28 -29.82 70.1 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 117.628 0.195 . . . . 0.0 110.571 179.058 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.32 -28.34 34.6 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 122.081 0.153 . . . . 0.0 110.895 177.149 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 86.0 mt -72.4 -34.61 49.29 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.084 0 CA-C-N 117.786 0.266 . . . . 0.0 110.747 -178.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.1 mp -66.81 -23.4 66.04 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 118.087 0.403 . . . . 0.0 110.057 177.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.66 -27.62 45.25 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 117.742 0.247 . . . . 0.0 110.588 177.209 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.9 t -74.88 -30.96 24.79 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 178.234 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.0 mtm180 -82.55 6.36 17.84 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 122.536 0.334 . . . . 0.0 111.883 176.582 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 55.13 24.0 5.81 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.805 0.842 . . . . 0.0 112.817 179.596 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.074 0 O-C-N 121.721 -0.612 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 61.3 t90 . . . . . 0 N--CA 1.472 0.659 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -157.22 69.85 4.41 Favored Pre-proline 0 CA--C 1.535 0.391 0 C-N-CA 122.684 0.393 . . . . 0.0 111.765 177.336 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -69.81 -36.6 10.38 Favored 'Trans proline' 0 N--CA 1.456 -0.695 0 C-N-CA 122.893 2.395 . . . . 0.0 110.734 179.29 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 10.7 p90 -171.86 145.18 1.86 Allowed 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 103.194 -2.891 . . . . 0.0 103.194 176.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . 0.378 37.9 m-85 40.81 23.51 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 119.039 2.977 . . . . 0.0 119.039 171.665 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.21 -8.97 57.14 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 121.633 -0.667 . . . . 0.0 111.746 -176.599 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.66 3.07 0.03 OUTLIER Glycine 0 CA--C 1.529 0.952 0 C-N-CA 123.198 0.428 . . . . 0.0 112.271 179.565 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.2 t -67.42 -10.92 13.16 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.122 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 -176.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -62.16 -12.01 17.46 Favored 'General case' 0 CA--C 1.529 0.137 0 O-C-N 121.609 -0.682 . . . . 0.0 110.891 177.491 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -62.49 -31.63 72.41 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.704 0.802 . . . . 0.0 110.275 174.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -86.04 -39.81 16.42 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 122.937 0.495 . . . . 0.0 109.699 176.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 p -71.77 -27.82 63.22 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 115.053 1.501 . . . . 0.0 115.053 -177.143 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 58.1 tptt -62.91 -31.99 73.18 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 118.03 0.377 . . . . 0.0 110.312 178.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.56 -27.69 51.59 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 122.102 0.161 . . . . 0.0 111.295 176.47 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 86.2 mt -79.25 -38.76 20.42 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 O-C-N 122.155 -0.341 . . . . 0.0 111.054 -178.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.2 mp -67.28 -20.14 65.59 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.894 -0.504 . . . . 0.0 109.902 178.583 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.75 -31.89 57.38 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 117.816 0.28 . . . . 0.0 110.332 175.29 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 51.7 t -75.03 -30.81 23.94 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.106 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 177.506 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 78.7 mtp85 -78.16 3.13 15.96 Favored 'General case' 0 C--N 1.338 0.085 0 C-N-CA 123.233 0.613 . . . . 0.0 112.283 176.517 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 55.14 25.86 7.63 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.842 0.857 . . . . 0.0 112.753 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.18 0 O-C-N 121.998 -0.439 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' TRP . . . . . 0.507 ' CZ3' ' HB1' ' A' ' 6' ' ' ALA . 63.5 t90 . . . . . 0 N--CA 1.471 0.589 0 N-CA-C 111.436 0.161 . . . . 0.0 111.436 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -136.85 51.11 4.35 Favored Pre-proline 0 CA--C 1.536 0.438 0 N-CA-C 114.407 1.262 . . . . 0.0 114.407 -178.455 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -70.05 -12.09 31.68 Favored 'Trans proline' 0 N--CA 1.455 -0.787 0 C-N-CA 123.446 2.764 . . . . 0.0 112.39 -176.487 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.44 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 1.9 p90 -163.83 -158.8 0.47 Allowed 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 103.261 -2.866 . . . . 0.0 103.261 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.44 ' N ' ' CG ' ' A' ' 4' ' ' TYR 0.262 41.7 m-85 -60.74 36.16 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 117.734 2.494 . . . . 0.0 117.734 173.931 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.507 ' HB1' ' CZ3' ' A' ' 1' ' ' TRP . . . -59.79 -18.32 42.57 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.737 0.815 . . . . 0.0 111.906 179.003 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.92 6.46 0.03 OUTLIER Glycine 0 CA--C 1.529 0.954 0 C-N-CA 123.14 0.4 . . . . 0.0 112.128 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.6 t -64.16 -13.7 14.21 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.078 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 -176.212 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -62.38 -13.95 34.8 Favored 'General case' 0 CA--C 1.527 0.08 0 O-C-N 121.519 -0.738 . . . . 0.0 112.115 -176.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 52.3 pttt -67.83 -22.38 65.15 Favored 'General case' 0 C--N 1.339 0.136 0 CA-C-N 118.29 0.496 . . . . 0.0 110.518 176.721 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 64.6 tp -91.81 -39.17 11.91 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 175.308 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.4 p -67.63 -24.8 65.5 Favored 'General case' 0 CA--C 1.521 -0.153 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -65.64 -29.42 69.99 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 176.467 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.8 -31.44 23.89 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 122.279 0.232 . . . . 0.0 111.263 177.028 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 88.7 mt -73.13 -36.55 50.61 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.111 0 O-C-N 122.341 -0.224 . . . . 0.0 110.95 -179.262 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 76.4 mt -67.7 -15.27 63.55 Favored 'General case' 0 N--CA 1.454 -0.234 0 O-C-N 122.151 -0.343 . . . . 0.0 110.84 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.2 -22.79 26.75 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 117.933 0.333 . . . . 0.0 110.567 174.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.4 t -84.52 -29.57 6.99 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.063 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 179.198 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 78.4 mtp85 -71.85 156.43 39.31 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 122.756 0.423 . . . . 0.0 111.315 178.435 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.02 161.15 31.63 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.182 0.593 . . . . 0.0 110.891 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.141 0 CA-C-N 116.505 -0.316 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 60.3 t90 . . . . . 0 N--CA 1.473 0.691 0 CA-C-O 120.5 0.19 . . . . 0.0 111.394 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 16.0 p30 -154.49 58.98 2.26 Favored Pre-proline 0 CA--C 1.537 0.446 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -178.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -66.19 -20.79 55.99 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 123.609 2.872 . . . . 0.0 112.518 -174.005 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -157.66 -39.57 0.07 Allowed 'General case' 0 C--O 1.231 0.11 0 N-CA-C 114.193 1.183 . . . . 0.0 114.193 176.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -147.7 -55.18 0.22 Allowed 'General case' 0 C--O 1.225 -0.229 0 N-CA-C 116.024 1.861 . . . . 0.0 116.024 177.025 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.39 21.12 1.11 Allowed 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 178.622 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.93 -1.74 55.31 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 121.792 -0.568 . . . . 0.0 113.621 179.442 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 99.9 t -67.21 -7.66 6.65 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-N 118.227 1.013 . . . . 0.0 111.293 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -59.4 -15.96 20.1 Favored 'General case' 0 C--N 1.343 0.285 0 O-C-N 121.114 -0.991 . . . . 0.0 110.614 175.42 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -60.14 -28.35 67.83 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 123.631 0.772 . . . . 0.0 110.655 175.379 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 66.4 tp -91.37 -36.79 13.62 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 176.348 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.4 p -67.42 -32.99 74.25 Favored 'General case' 0 C--O 1.227 -0.08 0 N-CA-C 114.63 1.345 . . . . 0.0 114.63 -179.477 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -66.9 -23.51 66.0 Favored 'General case' 0 C--N 1.339 0.139 0 CA-C-N 118.272 0.487 . . . . 0.0 111.102 176.67 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.27 -33.12 24.07 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 110.611 -0.144 . . . . 0.0 110.611 175.347 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 76.2 mt -73.52 -35.44 45.13 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 O-C-N 122.476 -0.14 . . . . 0.0 110.886 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 74.7 mt -67.12 -15.16 63.54 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 122.192 -0.317 . . . . 0.0 111.022 179.044 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.61 -22.82 24.53 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 122.341 0.256 . . . . 0.0 110.731 175.08 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 64.7 t -84.02 -28.46 7.27 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.142 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 78.5 mtp85 -71.86 157.36 38.01 Favored 'General case' 0 C--O 1.23 0.069 0 C-N-CA 122.723 0.409 . . . . 0.0 110.994 177.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.48 -3.84 39.41 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.184 0.594 . . . . 0.0 112.158 -179.123 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 -0.022 0 O-C-N 121.942 -0.474 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' TRP . . . . . 0.46 ' CZ3' ' HB1' ' A' ' 6' ' ' ALA . 38.6 t90 . . . . . 0 N--CA 1.474 0.728 0 CA-C-O 120.311 0.1 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -149.34 60.2 4.47 Favored Pre-proline 0 CA--C 1.537 0.463 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 -177.395 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_endo -71.31 -23.97 23.49 Favored 'Trans proline' 0 N--CA 1.457 -0.618 0 C-N-CA 123.138 2.559 . . . . 0.0 111.062 176.304 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 21.8 p90 -165.48 -173.38 2.77 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 102.257 -3.238 . . . . 0.0 102.257 176.6 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -40.45 -32.86 0.22 Allowed 'General case' 0 C--O 1.224 -0.264 0 N-CA-C 117.958 2.577 . . . . 0.0 117.958 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.46 ' HB1' ' CZ3' ' A' ' 1' ' ' TRP . . . 52.36 18.87 0.99 Allowed 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -178.562 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.49 -5.58 54.91 Favored Glycine 0 CA--C 1.532 1.103 0 CA-C-O 119.483 -0.62 . . . . 0.0 113.9 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.4 t -67.21 -22.8 29.56 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-N 118.502 1.151 . . . . 0.0 112.313 -177.221 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -64.61 -8.02 12.68 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 118.982 0.81 . . . . 0.0 112.501 -177.375 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 48.8 pttt -68.94 -22.14 64.16 Favored 'General case' 0 C--O 1.226 -0.139 0 CA-C-N 118.643 0.656 . . . . 0.0 110.057 175.373 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 63.9 tp -91.41 -40.38 11.46 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 174.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.4 p -65.63 -33.5 76.05 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 114.403 1.26 . . . . 0.0 114.403 -178.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.28 -19.02 65.7 Favored 'General case' 0 N--CA 1.457 -0.094 0 CA-C-N 118.282 0.492 . . . . 0.0 110.697 178.43 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.95 -24.24 18.46 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 122.374 0.27 . . . . 0.0 110.579 174.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 58.9 mt -73.58 -35.84 45.85 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 O-C-N 122.123 -0.361 . . . . 0.0 110.682 178.17 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.02 -18.02 64.94 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 118.273 0.488 . . . . 0.0 110.36 178.368 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.83 -10.74 41.61 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 111.884 0.328 . . . . 0.0 111.884 177.461 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.45 HG12 ' H ' ' A' ' 20' ' ' ALA . 82.4 t -121.21 -57.86 2.9 Favored 'Isoleucine or valine' 0 C--O 1.232 0.153 0 N-CA-C 112.111 0.412 . . . . 0.0 112.111 -174.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 42.5 mtp180 47.39 30.59 1.6 Allowed 'General case' 0 C--N 1.341 0.207 0 C-N-CA 124.8 1.24 . . . . 0.0 114.018 -179.209 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.45 ' H ' HG12 ' A' ' 18' ' ' VAL . . . 53.95 22.33 3.32 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.489 1.115 . . . . 0.0 112.865 -179.379 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.113 0 O-C-N 121.753 -0.592 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 54.8 t90 . . . . . 0 N--CA 1.474 0.728 0 N-CA-C 111.583 0.216 . . . . 0.0 111.583 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 15.4 p30 -150.94 56.64 2.12 Favored Pre-proline 0 CA--C 1.534 0.351 0 N-CA-C 114.136 1.161 . . . . 0.0 114.136 -177.394 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -66.41 -18.07 54.48 Favored 'Trans proline' 0 N--CA 1.455 -0.77 0 C-N-CA 123.685 2.923 . . . . 0.0 112.84 -174.057 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 33.2 p90 -157.03 -36.86 0.08 Allowed 'General case' 0 C--O 1.231 0.092 0 N-CA-C 114.244 1.202 . . . . 0.0 114.244 176.73 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -167.33 -35.66 0.02 OUTLIER 'General case' 0 C--N 1.34 0.187 0 N-CA-C 105.039 -2.208 . . . . 0.0 105.039 179.599 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 52.25 -153.61 0.21 Allowed 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 118.2 0.454 . . . . 0.0 111.376 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.61 10.09 5.48 Favored Glycine 0 CA--C 1.528 0.903 0 CA-C-O 119.404 -0.664 . . . . 0.0 114.043 -177.655 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 82.9 t -59.88 -17.18 12.93 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 CA-C-N 118.662 1.231 . . . . 0.0 110.738 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -62.73 -13.8 37.0 Favored 'General case' 0 CA--C 1.53 0.194 0 O-C-N 121.682 -0.636 . . . . 0.0 111.683 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 49.9 pttt -67.46 -24.46 65.62 Favored 'General case' 0 CA--C 1.528 0.106 0 CA-C-N 118.491 0.587 . . . . 0.0 110.014 177.362 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.9 mt -85.53 -42.6 14.26 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 122.992 0.517 . . . . 0.0 109.613 175.17 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.4 p -70.28 -27.77 64.68 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 114.595 1.331 . . . . 0.0 114.595 -176.092 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -64.05 -30.21 71.3 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 110.533 -0.173 . . . . 0.0 110.533 179.093 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.9 -28.52 39.83 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 122.207 0.203 . . . . 0.0 110.876 177.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 94.9 mt -74.85 -35.92 37.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 O-C-N 122.176 -0.328 . . . . 0.0 110.578 -179.658 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 91.3 mt -67.39 -15.02 63.44 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 122.287 -0.258 . . . . 0.0 111.067 179.173 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.61 -23.19 25.83 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 122.324 0.249 . . . . 0.0 110.364 175.455 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.1 t -85.6 -33.45 7.7 Favored 'Isoleucine or valine' 0 C--O 1.23 0.055 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 -179.303 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 56.5 mmm-85 -74.0 160.19 31.66 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 122.539 0.335 . . . . 0.0 110.553 177.693 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -154.42 165.22 37.07 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 122.94 0.496 . . . . 0.0 110.683 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.24 0 O-C-N 122.143 -0.348 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' TRP . . . . . 0.517 ' CZ3' ' HB1' ' A' ' 6' ' ' ALA . 56.5 t90 . . . . . 0 N--CA 1.474 0.733 0 CA-C-O 120.701 0.286 . . . . 0.0 111.259 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.8 p30 -146.98 53.97 1.85 Allowed Pre-proline 0 CA--C 1.535 0.387 0 N-CA-C 114.711 1.375 . . . . 0.0 114.711 -178.194 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -66.64 -17.57 52.87 Favored 'Trans proline' 0 N--CA 1.46 -0.49 0 C-N-CA 123.976 3.118 . . . . 0.0 112.137 -178.213 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 50.6 p90 -162.33 -158.0 0.5 Allowed 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 105.086 -2.19 . . . . 0.0 105.086 177.639 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . 0.289 38.7 m-85 -56.83 28.84 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 118.194 2.664 . . . . 0.0 118.194 173.372 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.517 ' HB1' ' CZ3' ' A' ' 1' ' ' TRP . . . -60.15 -14.94 19.74 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.335 1.054 . . . . 0.0 111.797 178.467 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.02 4.74 0.03 OUTLIER Glycine 0 CA--C 1.529 0.919 0 CA-C-O 119.951 -0.361 . . . . 0.0 112.989 178.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.5 t -65.97 -12.46 14.22 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 -176.102 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 36.2 mtmm -63.27 -13.58 39.84 Favored 'General case' 0 N--CA 1.462 0.144 0 O-C-N 121.392 -0.817 . . . . 0.0 111.856 -177.359 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 53.0 pttt -67.85 -23.21 65.12 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 118.22 0.464 . . . . 0.0 110.354 177.37 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 69.1 tp -89.8 -39.72 12.93 Favored 'General case' 0 N--CA 1.457 -0.124 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 175.301 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 p -68.19 -27.56 66.5 Favored 'General case' 0 CA--C 1.52 -0.182 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 -179.672 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 58.4 tptt -62.39 -29.89 70.81 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 177.254 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.9 -34.96 24.42 Favored 'General case' 0 N--CA 1.456 -0.172 0 O-C-N 122.428 -0.17 . . . . 0.0 110.937 176.561 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 88.0 mt -69.74 -34.25 60.0 Favored 'Isoleucine or valine' 0 C--O 1.231 0.114 0 CA-C-N 118.031 0.378 . . . . 0.0 111.438 -178.323 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.9 mp -69.1 -16.85 63.77 Favored 'General case' 0 CA--C 1.531 0.216 0 O-C-N 121.895 -0.503 . . . . 0.0 110.179 178.305 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.71 -17.36 30.09 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 118.078 0.399 . . . . 0.0 111.632 176.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 51.8 t -80.34 -14.09 12.98 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 68.3 mtm180 -63.66 156.38 27.02 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 122.958 0.503 . . . . 0.0 111.011 -179.144 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -154.77 163.99 39.46 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 122.938 0.495 . . . . 0.0 110.433 -179.258 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.093 0 O-C-N 122.142 -0.349 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' TRP . . . . . 0.469 ' CZ3' ' HB1' ' A' ' 6' ' ' ALA . 48.5 t90 . . . . . 0 N--CA 1.476 0.855 0 CA-C-O 120.972 0.415 . . . . 0.0 111.128 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -124.46 50.67 3.99 Favored Pre-proline 0 CA--C 1.536 0.441 0 N-CA-C 114.622 1.341 . . . . 0.0 114.622 -177.224 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -65.96 -22.58 55.4 Favored 'Trans proline' 0 N--CA 1.46 -0.46 0 C-N-CA 123.488 2.792 . . . . 0.0 112.316 -177.51 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.423 ' C ' ' H ' ' A' ' 6' ' ' ALA . 39.1 p90 -165.69 -158.22 0.35 Allowed 'General case' 0 C--O 1.232 0.136 0 N-CA-C 103.269 -2.864 . . . . 0.0 103.269 177.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . 0.303 35.7 m-85 -56.74 27.47 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 118.2 2.667 . . . . 0.0 118.2 172.283 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.469 ' HB1' ' CZ3' ' A' ' 1' ' ' TRP . . . -60.87 -14.19 20.46 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 124.372 1.069 . . . . 0.0 111.969 176.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.64 1.5 0.03 OUTLIER Glycine 0 CA--C 1.53 1.015 0 C-N-CA 122.99 0.328 . . . . 0.0 112.901 178.377 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.0 t -66.03 -11.09 12.11 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 N-CA-C 114.209 1.188 . . . . 0.0 114.209 -177.136 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -62.61 -14.6 44.77 Favored 'General case' 0 N--CA 1.461 0.117 0 O-C-N 121.276 -0.89 . . . . 0.0 110.4 176.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -60.1 -31.3 69.9 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.228 0.611 . . . . 0.0 110.456 174.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 57.6 mt -84.68 -40.76 16.99 Favored 'General case' 0 N--CA 1.452 -0.346 0 O-C-N 123.15 0.281 . . . . 0.0 110.369 176.593 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 p -70.68 -33.9 71.41 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 115.158 1.54 . . . . 0.0 115.158 -175.546 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -63.83 -21.98 66.69 Favored 'General case' 0 C--N 1.339 0.139 0 CA-C-N 118.036 0.38 . . . . 0.0 111.506 178.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.44 -31.2 24.73 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 122.093 0.157 . . . . 0.0 110.776 175.177 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 84.7 mt -77.64 -37.96 25.04 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.058 0 C-N-CA 122.408 0.283 . . . . 0.0 110.845 -178.487 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.1 mp -67.07 -15.53 63.78 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 118.03 0.377 . . . . 0.0 110.36 178.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.3 -21.12 25.94 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 122.566 0.347 . . . . 0.0 111.124 175.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 42.2 t -85.13 -32.35 7.31 Favored 'Isoleucine or valine' 0 C--N 1.339 0.14 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 -179.074 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.0 mtm180 -74.41 159.05 32.84 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 117.976 0.353 . . . . 0.0 110.725 178.659 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -154.5 164.8 38.13 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.296 0.638 . . . . 0.0 110.414 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.189 0 O-C-N 122.227 -0.296 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 93.9 t . . . . . 0 N--CA 1.464 0.243 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -63.84 -8.79 11.94 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 118.976 0.807 . . . . 0.0 112.453 -178.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 50.4 pttt -66.09 -21.1 66.35 Favored 'General case' 0 CA--C 1.528 0.11 0 CA-C-N 118.456 0.571 . . . . 0.0 110.221 174.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 63.2 tp -98.34 -40.53 8.27 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 122.774 0.43 . . . . 0.0 110.086 175.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 p -67.42 -24.62 65.67 Favored 'General case' 0 C--N 1.338 0.084 0 N-CA-C 114.587 1.329 . . . . 0.0 114.587 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -70.49 -30.3 67.05 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 117.929 0.331 . . . . 0.0 110.654 176.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.45 -38.75 40.46 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 176.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 84.0 mt -67.21 -30.23 48.58 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 179.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 70.0 tp -63.39 -22.84 67.12 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 122.833 0.453 . . . . 0.0 111.233 179.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -89.77 -19.92 24.15 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 122.595 0.358 . . . . 0.0 111.181 177.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 74.0 t . . . . . 0 C--O 1.231 0.096 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 -178.822 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 86.7 t . . . . . 0 N--CA 1.464 0.227 0 CA-C-O 119.943 -0.075 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.68 -5.73 6.34 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.521 -0.737 . . . . 0.0 112.964 -178.061 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 50.9 pttt -72.31 -23.27 61.14 Favored 'General case' 0 C--N 1.339 0.143 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 173.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 85.2 mt -88.7 -43.01 11.62 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 123.208 0.603 . . . . 0.0 109.82 175.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 p -67.47 -27.65 67.2 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 114.461 1.282 . . . . 0.0 114.461 -176.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -67.08 -29.59 69.39 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 117.77 0.259 . . . . 0.0 110.651 177.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.71 -28.77 45.12 Favored 'General case' 0 N--CA 1.456 -0.169 0 O-C-N 122.402 -0.186 . . . . 0.0 110.754 177.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 95.2 mt -72.53 -34.15 47.24 Favored 'Isoleucine or valine' 0 C--N 1.339 0.141 0 O-C-N 122.364 -0.21 . . . . 0.0 110.471 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 97.9 mt -66.1 -19.49 65.86 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 118.074 0.397 . . . . 0.0 111.031 178.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.92 -28.5 32.78 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 117.762 0.256 . . . . 0.0 110.547 175.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 77.1 t . . . . . 0 CA--C 1.53 0.174 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 179.713 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 98.9 t . . . . . 0 CA--C 1.53 0.182 0 N-CA-C 110.654 -0.128 . . . . 0.0 110.654 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -62.82 -13.4 33.05 Favored 'General case' 0 C--N 1.34 0.164 0 O-C-N 121.895 -0.503 . . . . 0.0 111.49 179.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 49.9 pttt -68.07 -27.1 66.21 Favored 'General case' 0 C--N 1.342 0.245 0 CA-C-N 118.493 0.588 . . . . 0.0 110.389 178.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 65.2 tp -84.08 -39.24 19.8 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 176.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.7 p -66.8 -27.49 67.61 Favored 'General case' 0 C--N 1.333 -0.138 0 N-CA-C 114.026 1.121 . . . . 0.0 114.026 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -63.27 -29.23 70.6 Favored 'General case' 0 C--N 1.34 0.155 0 CA-C-O 120.426 0.155 . . . . 0.0 110.621 177.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.94 -28.93 23.98 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 122.374 0.27 . . . . 0.0 110.95 177.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 84.6 mt -74.58 -36.23 40.48 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 CA-C-N 117.956 0.344 . . . . 0.0 110.747 -179.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.1 mp -67.53 -20.67 65.46 Favored 'General case' 0 CA--C 1.527 0.095 0 O-C-N 121.985 -0.447 . . . . 0.0 109.8 178.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.99 -30.08 44.14 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 118.005 0.366 . . . . 0.0 110.519 175.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.5 t . . . . . 0 CA--C 1.529 0.155 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 177.722 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.9 t . . . . . 0 N--CA 1.463 0.201 0 N-CA-C 111.979 0.362 . . . . 0.0 111.979 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -65.94 -7.4 16.53 Favored 'General case' 0 C--N 1.339 0.122 0 CA-C-N 119.19 0.905 . . . . 0.0 112.298 -177.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 49.5 pttt -68.5 -22.76 64.52 Favored 'General case' 0 N--CA 1.457 -0.116 0 CA-C-N 118.942 0.792 . . . . 0.0 109.546 174.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 88.8 mt -88.97 -43.37 11.19 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.263 0.625 . . . . 0.0 109.444 174.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 p -69.99 -30.68 68.07 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 114.871 1.434 . . . . 0.0 114.871 -175.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -64.86 -23.96 67.39 Favored 'General case' 0 C--N 1.34 0.181 0 CA-C-N 118.123 0.42 . . . . 0.0 110.618 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -82.56 -29.11 30.53 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 117.589 0.177 . . . . 0.0 110.679 176.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 96.0 mt -73.48 -35.33 45.14 Favored 'Isoleucine or valine' 0 C--N 1.339 0.12 0 O-C-N 122.319 -0.238 . . . . 0.0 110.661 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.0 mp -67.14 -17.18 64.74 Favored 'General case' 0 CA--C 1.529 0.161 0 O-C-N 122.097 -0.377 . . . . 0.0 110.51 178.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.08 -20.74 28.3 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 118.039 0.381 . . . . 0.0 110.957 175.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.0 t . . . . . 0 CA--C 1.531 0.212 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.855 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.0 t . . . . . 0 C--O 1.227 -0.126 0 N-CA-C 114.225 1.195 . . . . 0.0 114.225 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -64.16 -12.56 41.19 Favored 'General case' 0 C--O 1.232 0.136 0 O-C-N 121.454 -0.779 . . . . 0.0 112.064 -176.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 52.8 pttt -67.39 -23.29 65.56 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 118.342 0.519 . . . . 0.0 109.763 176.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 71.9 mt -89.08 -43.97 10.69 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 174.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.4 p -69.31 -27.84 65.74 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 114.846 1.424 . . . . 0.0 114.846 -176.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -62.29 -30.68 71.31 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 117.999 0.363 . . . . 0.0 110.553 179.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.7 -27.5 45.0 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 122.279 0.231 . . . . 0.0 110.729 176.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 88.7 mt -76.72 -36.26 26.54 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.089 0 CA-C-N 117.698 0.226 . . . . 0.0 110.822 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -67.43 -17.06 64.56 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 121.936 -0.477 . . . . 0.0 110.417 177.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.43 -22.62 32.6 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 117.804 0.274 . . . . 0.0 110.757 175.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.7 t . . . . . 0 C--O 1.232 0.167 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 179.207 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.6 t . . . . . 0 N--CA 1.456 -0.131 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 35.5 mtmm -64.04 -14.36 53.75 Favored 'General case' 0 C--N 1.34 0.189 0 CA-C-N 119.062 0.846 . . . . 0.0 111.057 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.6 tmmm? -63.93 -25.91 68.36 Favored 'General case' 0 CA--C 1.527 0.068 0 C-N-CA 122.973 0.509 . . . . 0.0 110.253 174.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 93.4 mt -88.21 -45.14 10.33 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 173.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.4 p -67.86 -27.91 67.09 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 115.104 1.52 . . . . 0.0 115.104 -175.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -63.33 -30.0 71.21 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 118.04 0.382 . . . . 0.0 110.685 178.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -82.49 -31.1 29.48 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 122.156 0.182 . . . . 0.0 111.086 177.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 91.5 mt -75.61 -37.26 36.29 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.038 0 O-C-N 122.286 -0.259 . . . . 0.0 110.996 -178.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.2 mt -66.84 -16.97 64.65 Favored 'General case' 0 CA--C 1.528 0.127 0 O-C-N 122.042 -0.412 . . . . 0.0 110.865 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.68 -28.44 30.62 Favored 'General case' 0 N--CA 1.452 -0.326 0 O-C-N 122.202 -0.311 . . . . 0.0 110.365 174.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 57.9 t . . . . . 0 C--N 1.339 0.15 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 179.885 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 93.0 t . . . . . 0 CA--C 1.528 0.131 0 CA-C-O 119.285 -0.388 . . . . 0.0 111.53 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -61.19 -14.74 27.57 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 119.26 0.936 . . . . 0.0 112.283 -177.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.4 pttt -65.76 -22.96 66.63 Favored 'General case' 0 C--N 1.338 0.102 0 CA-C-N 118.671 0.669 . . . . 0.0 110.254 176.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 78.3 mt -88.78 -40.43 13.2 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 122.805 0.442 . . . . 0.0 109.962 174.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 p -69.15 -31.36 69.96 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 114.938 1.459 . . . . 0.0 114.938 -175.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -63.6 -26.56 68.74 Favored 'General case' 0 CA--C 1.526 0.049 0 CA-C-N 118.126 0.421 . . . . 0.0 111.343 177.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.85 -23.36 31.38 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 121.984 0.114 . . . . 0.0 111.265 176.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 60.1 mt -81.41 -38.19 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 CA-C-O 119.387 -0.34 . . . . 0.0 110.804 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.5 mp -66.92 -18.66 65.49 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 118.024 0.375 . . . . 0.0 110.391 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.45 -20.79 42.99 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 122.337 0.255 . . . . 0.0 110.729 175.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 62.1 t . . . . . 0 N--CA 1.456 -0.163 0 C-N-CA 123.007 0.523 . . . . 0.0 110.653 -178.826 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.2 t . . . . . 0 N--CA 1.461 0.095 0 N-CA-C 114.212 1.19 . . . . 0.0 114.212 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -63.59 -10.73 19.92 Favored 'General case' 0 CA--C 1.53 0.18 0 O-C-N 121.521 -0.737 . . . . 0.0 110.609 177.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -61.77 -32.45 72.71 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 123.487 0.715 . . . . 0.0 110.544 174.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -85.65 -39.45 17.27 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 177.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 p -73.05 -27.2 61.6 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 115.002 1.482 . . . . 0.0 115.002 -177.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -64.27 -30.64 71.68 Favored 'General case' 0 N--CA 1.457 -0.117 0 O-C-N 122.002 -0.437 . . . . 0.0 110.067 178.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.29 -29.53 47.92 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 119.828 -0.129 . . . . 0.0 110.843 177.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 95.7 mt -76.96 -36.31 25.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 CA-C-N 118.023 0.374 . . . . 0.0 110.772 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 87.2 mt -66.21 -20.44 66.13 Favored 'General case' 0 N--CA 1.455 -0.219 0 O-C-N 122.096 -0.377 . . . . 0.0 110.648 179.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.62 -30.99 41.59 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 117.87 0.304 . . . . 0.0 110.663 174.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 63.7 t . . . . . 0 C--N 1.339 0.137 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 178.767 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.7 t . . . . . 0 N--CA 1.462 0.158 0 N-CA-C 110.613 -0.143 . . . . 0.0 110.613 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -62.23 -13.05 23.97 Favored 'General case' 0 CA--C 1.531 0.25 0 O-C-N 121.612 -0.68 . . . . 0.0 111.731 178.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 50.0 pttt -69.02 -25.69 64.62 Favored 'General case' 0 C--N 1.338 0.108 0 CA-C-N 118.444 0.565 . . . . 0.0 110.342 178.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 65.0 tp -85.48 -39.43 17.48 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 176.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 p -65.89 -28.33 68.87 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 114.274 1.212 . . . . 0.0 114.274 179.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 58.6 tptt -63.57 -28.19 69.76 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 122.192 0.197 . . . . 0.0 110.531 176.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.47 -29.86 22.47 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 122.198 0.199 . . . . 0.0 111.05 177.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 82.3 mt -73.65 -36.98 48.49 Favored 'Isoleucine or valine' 0 C--N 1.339 0.137 0 O-C-N 122.25 -0.281 . . . . 0.0 111.213 -179.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.2 mp -67.83 -15.19 63.51 Favored 'General case' 0 CA--C 1.531 0.23 0 O-C-N 122.083 -0.386 . . . . 0.0 110.478 178.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.72 -21.73 28.13 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 118.022 0.374 . . . . 0.0 110.746 174.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 57.2 t . . . . . 0 CA--C 1.529 0.143 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 179.902 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.9 t . . . . . 0 C--O 1.23 0.064 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -62.87 -11.83 20.87 Favored 'General case' 0 C--O 1.226 -0.161 0 O-C-N 122.003 -0.436 . . . . 0.0 110.476 174.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -62.6 -31.62 72.49 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 123.998 0.919 . . . . 0.0 110.618 175.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -84.25 -38.03 21.0 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 177.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.4 p -74.9 -29.92 61.13 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 115.414 1.635 . . . . 0.0 115.414 -175.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -65.33 -24.11 67.18 Favored 'General case' 0 C--N 1.339 0.114 0 CA-C-N 118.481 0.582 . . . . 0.0 110.676 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.62 -31.44 32.42 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 122.188 0.195 . . . . 0.0 110.823 176.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 95.2 mt -75.85 -35.74 30.98 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.128 0 O-C-N 122.256 -0.277 . . . . 0.0 110.616 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.8 mt -67.2 -14.84 63.29 Favored 'General case' 0 N--CA 1.453 -0.292 0 O-C-N 121.937 -0.477 . . . . 0.0 111.136 178.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.84 -21.95 26.09 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 122.204 0.202 . . . . 0.0 110.788 174.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 63.1 t . . . . . 0 CA--C 1.53 0.174 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 -179.802 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.6 t . . . . . 0 N--CA 1.463 0.179 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -63.35 -13.05 35.07 Favored 'General case' 0 C--O 1.231 0.128 0 O-C-N 121.48 -0.762 . . . . 0.0 111.773 -177.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.3 pttt -68.16 -22.77 64.83 Favored 'General case' 0 C--N 1.339 0.117 0 CA-C-N 118.029 0.377 . . . . 0.0 110.47 176.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 63.7 tp -90.15 -40.56 12.15 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 175.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.4 p -66.95 -26.93 67.07 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 114.467 1.284 . . . . 0.0 114.467 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -62.84 -29.05 70.44 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 117.859 0.299 . . . . 0.0 110.565 176.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.27 -31.1 23.28 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 122.453 0.301 . . . . 0.0 111.022 176.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 92.6 mt -73.82 -37.4 48.36 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.053 0 CA-C-N 118.029 0.377 . . . . 0.0 111.203 -178.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.5 mp -67.29 -14.55 63.02 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 118.05 0.386 . . . . 0.0 110.65 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.53 -22.45 28.13 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 117.949 0.341 . . . . 0.0 110.858 174.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 69.6 t . . . . . 0 CA--C 1.53 0.184 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.992 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 25.9 t . . . . . 0 CA--C 1.531 0.231 0 N-CA-C 111.494 0.183 . . . . 0.0 111.494 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -62.11 -16.35 51.79 Favored 'General case' 0 C--N 1.341 0.225 0 O-C-N 121.93 -0.481 . . . . 0.0 110.719 176.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.408 ' HE2' ' HB3' ' A' ' 10' ' ' LYS . 3.9 tmmm? -67.16 -28.33 68.03 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 122.652 0.381 . . . . 0.0 110.373 176.033 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 70.0 tp -82.65 -37.76 24.45 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 175.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.6 p -65.52 -29.57 70.23 Favored 'General case' 0 CA--C 1.52 -0.196 0 N-CA-C 114.206 1.188 . . . . 0.0 114.206 178.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -62.41 -28.48 69.82 Favored 'General case' 0 C--O 1.23 0.065 0 O-C-N 122.189 -0.319 . . . . 0.0 110.3 178.019 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.99 -30.0 21.57 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 122.438 0.295 . . . . 0.0 111.576 176.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 85.0 mt -76.98 -38.59 28.43 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.104 0 O-C-N 122.058 -0.401 . . . . 0.0 111.344 -178.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.5 mp -67.79 -20.31 65.19 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.38 -21.45 53.2 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 117.807 0.276 . . . . 0.0 110.737 175.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.0 t . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 178.894 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 92.9 t . . . . . 0 N--CA 1.465 0.281 0 N-CA-C 110.835 -0.061 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 37.4 mtmm -63.21 -12.92 32.05 Favored 'General case' 0 CA--C 1.531 0.234 0 O-C-N 121.703 -0.623 . . . . 0.0 111.573 179.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 49.5 pttt -68.22 -25.13 65.06 Favored 'General case' 0 C--N 1.34 0.157 0 CA-C-N 118.253 0.479 . . . . 0.0 109.848 177.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 78.4 mt -84.38 -42.79 15.35 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 175.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 p -69.67 -29.28 66.7 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 114.406 1.261 . . . . 0.0 114.406 -175.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -61.28 -29.82 70.1 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 117.628 0.195 . . . . 0.0 110.571 179.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.32 -28.34 34.6 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 122.081 0.153 . . . . 0.0 110.895 177.149 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 86.0 mt -72.4 -34.61 49.29 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.084 0 CA-C-N 117.786 0.266 . . . . 0.0 110.747 -178.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.1 mp -66.81 -23.4 66.04 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 118.087 0.403 . . . . 0.0 110.057 177.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.66 -27.62 45.25 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 117.742 0.247 . . . . 0.0 110.588 177.209 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.9 t . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 178.234 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.2 t . . . . . 0 CA--C 1.528 0.122 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -62.16 -12.01 17.46 Favored 'General case' 0 CA--C 1.529 0.137 0 O-C-N 121.609 -0.682 . . . . 0.0 110.891 177.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -62.49 -31.63 72.41 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.704 0.802 . . . . 0.0 110.275 174.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -86.04 -39.81 16.42 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 122.937 0.495 . . . . 0.0 109.699 176.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 p -71.77 -27.82 63.22 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 115.053 1.501 . . . . 0.0 115.053 -177.143 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 58.1 tptt -62.91 -31.99 73.18 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 118.03 0.377 . . . . 0.0 110.312 178.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.56 -27.69 51.59 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 122.102 0.161 . . . . 0.0 111.295 176.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 86.2 mt -79.25 -38.76 20.42 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 O-C-N 122.155 -0.341 . . . . 0.0 111.054 -178.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.2 mp -67.28 -20.14 65.59 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.894 -0.504 . . . . 0.0 109.902 178.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.75 -31.89 57.38 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 117.816 0.28 . . . . 0.0 110.332 175.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 51.7 t . . . . . 0 N--CA 1.457 -0.106 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 177.506 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.6 t . . . . . 0 CA--C 1.527 0.078 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -62.38 -13.95 34.8 Favored 'General case' 0 CA--C 1.527 0.08 0 O-C-N 121.519 -0.738 . . . . 0.0 112.115 -176.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 52.3 pttt -67.83 -22.38 65.15 Favored 'General case' 0 C--N 1.339 0.136 0 CA-C-N 118.29 0.496 . . . . 0.0 110.518 176.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 64.6 tp -91.81 -39.17 11.91 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 175.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.4 p -67.63 -24.8 65.5 Favored 'General case' 0 CA--C 1.521 -0.153 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -65.64 -29.42 69.99 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 176.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.8 -31.44 23.89 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 122.279 0.232 . . . . 0.0 111.263 177.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 88.7 mt -73.13 -36.55 50.61 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.111 0 O-C-N 122.341 -0.224 . . . . 0.0 110.95 -179.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 76.4 mt -67.7 -15.27 63.55 Favored 'General case' 0 N--CA 1.454 -0.234 0 O-C-N 122.151 -0.343 . . . . 0.0 110.84 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.2 -22.79 26.75 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 117.933 0.333 . . . . 0.0 110.567 174.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.4 t . . . . . 0 CA--C 1.527 0.063 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 179.198 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 99.9 t . . . . . 0 CA--C 1.532 0.269 0 CA-C-O 119.803 -0.142 . . . . 0.0 111.293 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -59.4 -15.96 20.1 Favored 'General case' 0 C--N 1.343 0.285 0 O-C-N 121.114 -0.991 . . . . 0.0 110.614 175.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -60.14 -28.35 67.83 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 123.631 0.772 . . . . 0.0 110.655 175.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 66.4 tp -91.37 -36.79 13.62 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 176.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.4 p -67.42 -32.99 74.25 Favored 'General case' 0 C--O 1.227 -0.08 0 N-CA-C 114.63 1.345 . . . . 0.0 114.63 -179.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -66.9 -23.51 66.0 Favored 'General case' 0 C--N 1.339 0.139 0 CA-C-N 118.272 0.487 . . . . 0.0 111.102 176.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.27 -33.12 24.07 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 110.611 -0.144 . . . . 0.0 110.611 175.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 76.2 mt -73.52 -35.44 45.13 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 O-C-N 122.476 -0.14 . . . . 0.0 110.886 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 74.7 mt -67.12 -15.16 63.54 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 122.192 -0.317 . . . . 0.0 111.022 179.044 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.61 -22.82 24.53 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 122.341 0.256 . . . . 0.0 110.731 175.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 64.7 t . . . . . 0 CA--C 1.529 0.142 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 179.304 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.4 t . . . . . 0 CA--C 1.533 0.31 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -64.61 -8.02 12.68 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 118.982 0.81 . . . . 0.0 112.501 -177.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 48.8 pttt -68.94 -22.14 64.16 Favored 'General case' 0 C--O 1.226 -0.139 0 CA-C-N 118.643 0.656 . . . . 0.0 110.057 175.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 63.9 tp -91.41 -40.38 11.46 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 174.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.4 p -65.63 -33.5 76.05 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 114.403 1.26 . . . . 0.0 114.403 -178.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.28 -19.02 65.7 Favored 'General case' 0 N--CA 1.457 -0.094 0 CA-C-N 118.282 0.492 . . . . 0.0 110.697 178.43 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.95 -24.24 18.46 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 122.374 0.27 . . . . 0.0 110.579 174.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 58.9 mt -73.58 -35.84 45.85 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 O-C-N 122.123 -0.361 . . . . 0.0 110.682 178.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.02 -18.02 64.94 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 118.273 0.488 . . . . 0.0 110.36 178.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.83 -10.74 41.61 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 111.884 0.328 . . . . 0.0 111.884 177.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 82.4 t . . . . . 0 C--O 1.232 0.153 0 N-CA-C 112.111 0.412 . . . . 0.0 112.111 -174.961 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 82.9 t . . . . . 0 CA--C 1.531 0.24 0 CA-C-O 119.772 -0.156 . . . . 0.0 110.738 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -62.73 -13.8 37.0 Favored 'General case' 0 CA--C 1.53 0.194 0 O-C-N 121.682 -0.636 . . . . 0.0 111.683 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 49.9 pttt -67.46 -24.46 65.62 Favored 'General case' 0 CA--C 1.528 0.106 0 CA-C-N 118.491 0.587 . . . . 0.0 110.014 177.362 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.9 mt -85.53 -42.6 14.26 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 122.992 0.517 . . . . 0.0 109.613 175.17 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.4 p -70.28 -27.77 64.68 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 114.595 1.331 . . . . 0.0 114.595 -176.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -64.05 -30.21 71.3 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 110.533 -0.173 . . . . 0.0 110.533 179.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.9 -28.52 39.83 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 122.207 0.203 . . . . 0.0 110.876 177.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 94.9 mt -74.85 -35.92 37.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 O-C-N 122.176 -0.328 . . . . 0.0 110.578 -179.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 91.3 mt -67.39 -15.02 63.44 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 122.287 -0.258 . . . . 0.0 111.067 179.173 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.61 -23.19 25.83 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 122.324 0.249 . . . . 0.0 110.364 175.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.1 t . . . . . 0 C--O 1.23 0.055 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 -179.303 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.5 t . . . . . 0 CA--C 1.532 0.269 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 36.2 mtmm -63.27 -13.58 39.84 Favored 'General case' 0 N--CA 1.462 0.144 0 O-C-N 121.392 -0.817 . . . . 0.0 111.856 -177.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 53.0 pttt -67.85 -23.21 65.12 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 118.22 0.464 . . . . 0.0 110.354 177.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 69.1 tp -89.8 -39.72 12.93 Favored 'General case' 0 N--CA 1.457 -0.124 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 175.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 p -68.19 -27.56 66.5 Favored 'General case' 0 CA--C 1.52 -0.182 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 -179.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 58.4 tptt -62.39 -29.89 70.81 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 177.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.9 -34.96 24.42 Favored 'General case' 0 N--CA 1.456 -0.172 0 O-C-N 122.428 -0.17 . . . . 0.0 110.937 176.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 88.0 mt -69.74 -34.25 60.0 Favored 'Isoleucine or valine' 0 C--O 1.231 0.114 0 CA-C-N 118.031 0.378 . . . . 0.0 111.438 -178.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.9 mp -69.1 -16.85 63.77 Favored 'General case' 0 CA--C 1.531 0.216 0 O-C-N 121.895 -0.503 . . . . 0.0 110.179 178.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.71 -17.36 30.09 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 118.078 0.399 . . . . 0.0 111.632 176.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 51.8 t . . . . . 0 CA--C 1.531 0.247 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 -179.927 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.0 t . . . . . 0 CA--C 1.529 0.149 0 N-CA-C 114.209 1.188 . . . . 0.0 114.209 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -62.61 -14.6 44.77 Favored 'General case' 0 N--CA 1.461 0.117 0 O-C-N 121.276 -0.89 . . . . 0.0 110.4 176.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -60.1 -31.3 69.9 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.228 0.611 . . . . 0.0 110.456 174.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 57.6 mt -84.68 -40.76 16.99 Favored 'General case' 0 N--CA 1.452 -0.346 0 O-C-N 123.15 0.281 . . . . 0.0 110.369 176.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 p -70.68 -33.9 71.41 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 115.158 1.54 . . . . 0.0 115.158 -175.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -63.83 -21.98 66.69 Favored 'General case' 0 C--N 1.339 0.139 0 CA-C-N 118.036 0.38 . . . . 0.0 111.506 178.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.44 -31.2 24.73 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 122.093 0.157 . . . . 0.0 110.776 175.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 84.7 mt -77.64 -37.96 25.04 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.058 0 C-N-CA 122.408 0.283 . . . . 0.0 110.845 -178.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.1 mp -67.07 -15.53 63.78 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 118.03 0.377 . . . . 0.0 110.36 178.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.3 -21.12 25.94 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 122.566 0.347 . . . . 0.0 111.124 175.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 42.2 t . . . . . 0 C--N 1.339 0.14 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 -179.074 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 43.8 t90 . . . . . 0 N--CA 1.474 0.748 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -155.79 76.15 4.87 Favored Pre-proline 0 CA--C 1.532 0.286 0 C-N-CA 123.195 0.598 . . . . 0.0 111.275 178.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -71.45 -21.46 26.13 Favored 'Trans proline' 0 N--CA 1.457 -0.676 0 C-N-CA 123.849 3.033 . . . . 0.0 111.935 -178.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 21.5 p90 -162.58 -38.28 0.04 OUTLIER 'General case' 0 N--CA 1.461 0.092 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 176.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -150.63 -39.54 0.13 Allowed 'General case' 0 C--O 1.225 -0.209 0 N-CA-C 116.631 2.086 . . . . 0.0 116.631 176.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.74 21.41 1.37 Allowed 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -176.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.44 -6.05 55.32 Favored Glycine 0 CA--C 1.529 0.929 0 CA-C-O 119.373 -0.682 . . . . 0.0 113.772 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 93.9 t -67.87 -19.81 25.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-N 118.519 1.16 . . . . 0.0 111.761 -177.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -63.84 -8.79 11.94 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 118.976 0.807 . . . . 0.0 112.453 -178.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 50.4 pttt -66.09 -21.1 66.35 Favored 'General case' 0 CA--C 1.528 0.11 0 CA-C-N 118.456 0.571 . . . . 0.0 110.221 174.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 63.2 tp -98.34 -40.53 8.27 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 122.774 0.43 . . . . 0.0 110.086 175.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 p -67.42 -24.62 65.67 Favored 'General case' 0 C--N 1.338 0.084 0 N-CA-C 114.587 1.329 . . . . 0.0 114.587 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -70.49 -30.3 67.05 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 117.929 0.331 . . . . 0.0 110.654 176.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.45 -38.75 40.46 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 176.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 84.0 mt -67.21 -30.23 48.58 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 179.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 70.0 tp -63.39 -22.84 67.12 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 122.833 0.453 . . . . 0.0 111.233 179.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -89.77 -19.92 24.15 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 122.595 0.358 . . . . 0.0 111.181 177.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 74.0 t -81.02 -41.88 19.65 Favored 'Isoleucine or valine' 0 C--O 1.231 0.096 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 -178.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 55.9 ptt85 -89.84 159.76 16.83 Favored 'General case' 0 C--N 1.338 0.074 0 CA-C-O 121.023 0.44 . . . . 0.0 111.031 -179.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.7 162.4 29.53 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 123.405 0.682 . . . . 0.0 110.861 178.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.15 0 O-C-N 122.193 -0.317 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 47.5 t90 . . . . . 0 N--CA 1.472 0.661 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -155.73 75.1 5.1 Favored Pre-proline 0 CA--C 1.533 0.31 0 C-N-CA 123.365 0.666 . . . . 0.0 111.354 177.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -70.54 -21.77 29.38 Favored 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 123.64 2.893 . . . . 0.0 112.214 -178.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 22.7 p90 -161.29 -41.21 0.04 OUTLIER 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 176.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -148.91 -38.45 0.16 Allowed 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 116.27 1.952 . . . . 0.0 116.27 176.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.16 21.5 1.09 Allowed 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.47 -5.69 58.85 Favored Glycine 0 CA--C 1.529 0.962 0 CA-C-O 119.58 -0.567 . . . . 0.0 113.372 179.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 86.7 t -65.23 -19.84 26.41 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-N 118.207 1.003 . . . . 0.0 110.937 -179.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.68 -5.73 6.34 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.521 -0.737 . . . . 0.0 112.964 -178.061 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 50.9 pttt -72.31 -23.27 61.14 Favored 'General case' 0 C--N 1.339 0.143 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 173.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 85.2 mt -88.7 -43.01 11.62 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 123.208 0.603 . . . . 0.0 109.82 175.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 p -67.47 -27.65 67.2 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 114.461 1.282 . . . . 0.0 114.461 -176.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -67.08 -29.59 69.39 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 117.77 0.259 . . . . 0.0 110.651 177.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.71 -28.77 45.12 Favored 'General case' 0 N--CA 1.456 -0.169 0 O-C-N 122.402 -0.186 . . . . 0.0 110.754 177.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 95.2 mt -72.53 -34.15 47.24 Favored 'Isoleucine or valine' 0 C--N 1.339 0.141 0 O-C-N 122.364 -0.21 . . . . 0.0 110.471 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 97.9 mt -66.1 -19.49 65.86 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 118.074 0.397 . . . . 0.0 111.031 178.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.92 -28.5 32.78 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 117.762 0.256 . . . . 0.0 110.547 175.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 77.1 t -79.2 -31.4 14.52 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.9 mmt85 -79.61 -0.75 35.01 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 122.918 0.487 . . . . 0.0 112.113 177.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 57.95 176.63 0.06 Allowed 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.511 1.124 . . . . 0.0 112.903 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.161 0 O-C-N 121.902 -0.499 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . 0.496 ' CD1' ' HD3' ' A' ' 3' ' ' PRO . 23.1 t90 . . . . . 0 N--CA 1.469 0.522 0 CA-C-O 119.328 -0.368 . . . . 0.0 110.024 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 43.07 56.73 11.74 Favored Pre-proline 0 CA--C 1.534 0.361 0 N-CA-C 116.871 2.174 . . . . 0.0 116.871 172.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.496 ' HD3' ' CD1' ' A' ' 1' ' ' TRP . 62.9 Cg_endo -67.02 -20.68 50.44 Favored 'Trans proline' 0 N--CA 1.456 -0.693 0 C-N-CA 123.559 2.839 . . . . 0.0 112.2 -176.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 32.5 p90 -160.25 -37.65 0.05 Allowed 'General case' 0 CA--C 1.528 0.117 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 175.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -168.22 -31.89 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 105.434 -2.062 . . . . 0.0 105.434 -179.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 52.9 -155.48 0.19 Allowed 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 118.36 0.527 . . . . 0.0 111.405 179.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.28 9.62 4.11 Favored Glycine 0 CA--C 1.53 1.021 0 CA-C-O 119.509 -0.606 . . . . 0.0 113.815 -177.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 98.9 t -60.61 -16.7 13.61 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 CA-C-N 118.552 1.176 . . . . 0.0 110.654 -179.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -62.82 -13.4 33.05 Favored 'General case' 0 C--N 1.34 0.164 0 O-C-N 121.895 -0.503 . . . . 0.0 111.49 179.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 49.9 pttt -68.07 -27.1 66.21 Favored 'General case' 0 C--N 1.342 0.245 0 CA-C-N 118.493 0.588 . . . . 0.0 110.389 178.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 65.2 tp -84.08 -39.24 19.8 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 176.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.7 p -66.8 -27.49 67.61 Favored 'General case' 0 C--N 1.333 -0.138 0 N-CA-C 114.026 1.121 . . . . 0.0 114.026 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -63.27 -29.23 70.6 Favored 'General case' 0 C--N 1.34 0.155 0 CA-C-O 120.426 0.155 . . . . 0.0 110.621 177.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.94 -28.93 23.98 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 122.374 0.27 . . . . 0.0 110.95 177.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 84.6 mt -74.58 -36.23 40.48 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 CA-C-N 117.956 0.344 . . . . 0.0 110.747 -179.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.1 mp -67.53 -20.67 65.46 Favored 'General case' 0 CA--C 1.527 0.095 0 O-C-N 121.985 -0.447 . . . . 0.0 109.8 178.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.99 -30.08 44.14 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 118.005 0.366 . . . . 0.0 110.519 175.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.5 t -76.15 -32.17 22.38 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.155 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 177.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.9 mmm180 -81.59 3.22 25.93 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 122.938 0.495 . . . . 0.0 111.719 176.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 55.0 26.02 7.54 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.782 0.833 . . . . 0.0 112.666 179.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.173 0 O-C-N 121.833 -0.542 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 56.2 t90 . . . . . 0 N--CA 1.473 0.723 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.8 p30 -151.77 54.82 1.41 Allowed Pre-proline 0 CA--C 1.537 0.455 0 N-CA-C 114.806 1.41 . . . . 0.0 114.806 -177.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -67.97 -12.88 36.7 Favored 'Trans proline' 0 N--CA 1.46 -0.492 0 C-N-CA 123.614 2.876 . . . . 0.0 110.932 178.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 7.9 p90 -158.69 -167.56 2.17 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 101.609 -3.478 . . . . 0.0 101.609 173.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -44.16 -36.02 2.46 Favored 'General case' 0 C--O 1.226 -0.162 0 N-CA-C 117.146 2.276 . . . . 0.0 117.146 178.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 49.53 20.68 0.51 Allowed 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.75 -3.59 67.99 Favored Glycine 0 CA--C 1.529 0.963 0 CA-C-O 119.621 -0.544 . . . . 0.0 113.646 179.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.9 t -64.45 -23.82 34.25 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-N 118.372 1.086 . . . . 0.0 111.979 -177.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -65.94 -7.4 16.53 Favored 'General case' 0 C--N 1.339 0.122 0 CA-C-N 119.19 0.905 . . . . 0.0 112.298 -177.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 49.5 pttt -68.5 -22.76 64.52 Favored 'General case' 0 N--CA 1.457 -0.116 0 CA-C-N 118.942 0.792 . . . . 0.0 109.546 174.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 88.8 mt -88.97 -43.37 11.19 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.263 0.625 . . . . 0.0 109.444 174.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 p -69.99 -30.68 68.07 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 114.871 1.434 . . . . 0.0 114.871 -175.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -64.86 -23.96 67.39 Favored 'General case' 0 C--N 1.34 0.181 0 CA-C-N 118.123 0.42 . . . . 0.0 110.618 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -82.56 -29.11 30.53 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 117.589 0.177 . . . . 0.0 110.679 176.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 96.0 mt -73.48 -35.33 45.14 Favored 'Isoleucine or valine' 0 C--N 1.339 0.12 0 O-C-N 122.319 -0.238 . . . . 0.0 110.661 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.0 mp -67.14 -17.18 64.74 Favored 'General case' 0 CA--C 1.529 0.161 0 O-C-N 122.097 -0.377 . . . . 0.0 110.51 178.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.08 -20.74 28.3 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 118.039 0.381 . . . . 0.0 110.957 175.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.0 t -85.77 -28.6 6.23 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 50.5 mtp180 -70.4 155.78 40.22 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-O 120.921 0.391 . . . . 0.0 111.347 177.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.25 -3.27 35.61 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.286 0.634 . . . . 0.0 112.024 -179.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 -0.017 0 O-C-N 121.764 -0.585 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 64.9 t90 . . . . . 0 N--CA 1.472 0.654 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -159.6 72.43 3.29 Favored Pre-proline 0 CA--C 1.533 0.322 0 C-N-CA 122.823 0.449 . . . . 0.0 110.319 175.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -72.32 -25.33 18.63 Favored 'Trans proline' 0 N--CA 1.452 -0.92 0 C-N-CA 123.629 2.886 . . . . 0.0 112.46 -177.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -162.48 -45.7 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 116.515 2.042 . . . . 0.0 116.515 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . 0.299 33.4 m-85 -145.87 32.89 1.02 Allowed 'General case' 0 C--O 1.23 0.06 0 N-CA-C 116.532 2.049 . . . . 0.0 116.532 -175.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.41 -9.23 31.74 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -177.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.3 1.26 0.03 OUTLIER Glycine 0 CA--C 1.529 0.933 0 O-C-N 122.144 -0.348 . . . . 0.0 113.078 179.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.0 t -64.64 -16.51 19.71 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.126 0 N-CA-C 114.225 1.195 . . . . 0.0 114.225 -177.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -64.16 -12.56 41.19 Favored 'General case' 0 C--O 1.232 0.136 0 O-C-N 121.454 -0.779 . . . . 0.0 112.064 -176.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 52.8 pttt -67.39 -23.29 65.56 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 118.342 0.519 . . . . 0.0 109.763 176.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 71.9 mt -89.08 -43.97 10.69 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 174.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.4 p -69.31 -27.84 65.74 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 114.846 1.424 . . . . 0.0 114.846 -176.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -62.29 -30.68 71.31 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 117.999 0.363 . . . . 0.0 110.553 179.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.7 -27.5 45.0 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 122.279 0.231 . . . . 0.0 110.729 176.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 88.7 mt -76.72 -36.26 26.54 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.089 0 CA-C-N 117.698 0.226 . . . . 0.0 110.822 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -67.43 -17.06 64.56 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 121.936 -0.477 . . . . 0.0 110.417 177.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.43 -22.62 32.6 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 117.804 0.274 . . . . 0.0 110.757 175.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.7 t -85.51 -30.99 6.58 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 179.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -71.69 162.5 29.35 Favored 'General case' 0 C--O 1.231 0.13 0 C-N-CA 122.547 0.339 . . . . 0.0 111.002 177.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -154.35 163.33 40.33 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.129 0.571 . . . . 0.0 110.519 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.231 0 O-C-N 122.148 -0.345 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . 0.504 ' CZ3' ' HB1' ' A' ' 6' ' ' ALA . 64.0 t90 . . . . . 0 N--CA 1.476 0.844 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 15.3 p30 -152.38 54.57 1.29 Allowed Pre-proline 0 CA--C 1.535 0.394 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 -179.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -70.53 -9.67 26.33 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 123.573 2.849 . . . . 0.0 112.41 -176.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.434 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 2.1 p90 -163.67 -158.82 0.47 Allowed 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 103.407 -2.812 . . . . 0.0 103.407 -179.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.434 ' N ' ' CG ' ' A' ' 4' ' ' TYR 0.269 41.0 m-85 -60.49 38.2 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 117.88 2.548 . . . . 0.0 117.88 173.74 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.504 ' HB1' ' CZ3' ' A' ' 1' ' ' TRP . . . -61.68 -17.12 54.3 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.715 0.806 . . . . 0.0 112.152 179.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.07 3.84 0.03 OUTLIER Glycine 0 CA--C 1.529 0.925 0 C-N-CA 123.738 0.685 . . . . 0.0 112.173 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.6 t -63.68 -17.68 20.71 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.131 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 -176.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 35.5 mtmm -64.04 -14.36 53.75 Favored 'General case' 0 C--N 1.34 0.189 0 CA-C-N 119.062 0.846 . . . . 0.0 111.057 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.6 tmmm? -63.93 -25.91 68.36 Favored 'General case' 0 CA--C 1.527 0.068 0 C-N-CA 122.973 0.509 . . . . 0.0 110.253 174.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 93.4 mt -88.21 -45.14 10.33 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 173.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.4 p -67.86 -27.91 67.09 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 115.104 1.52 . . . . 0.0 115.104 -175.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -63.33 -30.0 71.21 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 118.04 0.382 . . . . 0.0 110.685 178.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -82.49 -31.1 29.48 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 122.156 0.182 . . . . 0.0 111.086 177.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 91.5 mt -75.61 -37.26 36.29 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.038 0 O-C-N 122.286 -0.259 . . . . 0.0 110.996 -178.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.2 mt -66.84 -16.97 64.65 Favored 'General case' 0 CA--C 1.528 0.127 0 O-C-N 122.042 -0.412 . . . . 0.0 110.865 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.68 -28.44 30.62 Favored 'General case' 0 N--CA 1.452 -0.326 0 O-C-N 122.202 -0.311 . . . . 0.0 110.365 174.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 57.9 t -80.33 -32.73 13.62 Favored 'Isoleucine or valine' 0 C--N 1.339 0.15 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -78.69 -0.74 31.3 Favored 'General case' 0 C--N 1.34 0.169 0 C-N-CA 123.141 0.576 . . . . 0.0 111.765 177.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 58.02 177.11 0.06 Allowed 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.532 1.133 . . . . 0.0 112.741 -179.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.085 0 O-C-N 121.891 -0.505 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 44.5 t90 . . . . . 0 N--CA 1.474 0.76 0 CA-C-O 120.45 0.167 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -124.25 50.73 3.9 Favored Pre-proline 0 CA--C 1.538 0.481 0 N-CA-C 114.979 1.474 . . . . 0.0 114.979 -176.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -66.3 -23.12 52.21 Favored 'Trans proline' 0 N--CA 1.457 -0.674 0 C-N-CA 123.175 2.584 . . . . 0.0 111.208 -179.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 24.1 p90 -164.46 -168.48 1.53 Allowed 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 102.305 -3.22 . . . . 0.0 102.305 175.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.412 ' CD1' ' HG3' ' A' ' 9' ' ' LYS . 25.1 m-85 -43.74 -35.16 1.74 Allowed 'General case' 0 C--O 1.227 -0.096 0 N-CA-C 117.307 2.336 . . . . 0.0 117.307 178.319 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 50.29 20.02 0.6 Allowed 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 177.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.82 1.75 65.37 Favored Glycine 0 CA--C 1.531 1.033 0 CA-C-O 119.55 -0.583 . . . . 0.0 114.017 179.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 93.0 t -65.7 -16.0 19.68 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.131 0 CA-C-N 118.243 1.022 . . . . 0.0 111.53 -178.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.412 ' HG3' ' CD1' ' A' ' 5' ' ' PHE . 59.1 mtpt -61.19 -14.74 27.57 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 119.26 0.936 . . . . 0.0 112.283 -177.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.4 pttt -65.76 -22.96 66.63 Favored 'General case' 0 C--N 1.338 0.102 0 CA-C-N 118.671 0.669 . . . . 0.0 110.254 176.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 78.3 mt -88.78 -40.43 13.2 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 122.805 0.442 . . . . 0.0 109.962 174.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 p -69.15 -31.36 69.96 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 114.938 1.459 . . . . 0.0 114.938 -175.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -63.6 -26.56 68.74 Favored 'General case' 0 CA--C 1.526 0.049 0 CA-C-N 118.126 0.421 . . . . 0.0 111.343 177.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.85 -23.36 31.38 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 121.984 0.114 . . . . 0.0 111.265 176.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 60.1 mt -81.41 -38.19 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 CA-C-O 119.387 -0.34 . . . . 0.0 110.804 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.5 mp -66.92 -18.66 65.49 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 118.024 0.375 . . . . 0.0 110.391 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.45 -20.79 42.99 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 122.337 0.255 . . . . 0.0 110.729 175.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 62.1 t -99.26 -77.43 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 C-N-CA 123.007 0.523 . . . . 0.0 110.653 -178.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 49.8 mtm105 53.28 -179.74 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.748 1.219 . . . . 0.0 113.605 -177.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -155.08 164.86 38.27 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.091 0.556 . . . . 0.0 110.461 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.207 0 O-C-N 122.25 -0.281 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 59.5 t90 . . . . . 0 N--CA 1.474 0.751 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -158.2 74.62 3.83 Favored Pre-proline 0 CA--C 1.531 0.225 0 C-N-CA 123.416 0.686 . . . . 0.0 111.328 176.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -73.99 -25.83 13.68 Favored 'Trans proline' 0 N--CA 1.453 -0.887 0 C-N-CA 123.679 2.92 . . . . 0.0 112.278 -176.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -163.33 -44.65 0.03 OUTLIER 'General case' 0 N--CA 1.461 0.094 0 N-CA-C 116.747 2.129 . . . . 0.0 116.747 -178.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . 0.295 29.9 m-85 -147.37 36.06 0.89 Allowed 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 116.399 2.0 . . . . 0.0 116.399 -175.365 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.12 72.21 1.18 Allowed 'General case' 0 N--CA 1.454 -0.275 0 O-C-N 122.175 -0.328 . . . . 0.0 110.906 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.23 -0.31 89.78 Favored Glycine 0 CA--C 1.528 0.847 0 O-C-N 122.337 -0.227 . . . . 0.0 113.17 177.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.2 t -70.32 -12.51 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.095 0 N-CA-C 114.212 1.19 . . . . 0.0 114.212 -177.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -63.59 -10.73 19.92 Favored 'General case' 0 CA--C 1.53 0.18 0 O-C-N 121.521 -0.737 . . . . 0.0 110.609 177.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -61.77 -32.45 72.71 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 123.487 0.715 . . . . 0.0 110.544 174.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -85.65 -39.45 17.27 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 177.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 p -73.05 -27.2 61.6 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 115.002 1.482 . . . . 0.0 115.002 -177.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -64.27 -30.64 71.68 Favored 'General case' 0 N--CA 1.457 -0.117 0 O-C-N 122.002 -0.437 . . . . 0.0 110.067 178.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.29 -29.53 47.92 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 119.828 -0.129 . . . . 0.0 110.843 177.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 95.7 mt -76.96 -36.31 25.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 CA-C-N 118.023 0.374 . . . . 0.0 110.772 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 87.2 mt -66.21 -20.44 66.13 Favored 'General case' 0 N--CA 1.455 -0.219 0 O-C-N 122.096 -0.377 . . . . 0.0 110.648 179.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.62 -30.99 41.59 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 117.87 0.304 . . . . 0.0 110.663 174.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 63.7 t -77.41 -32.57 18.79 Favored 'Isoleucine or valine' 0 C--N 1.339 0.137 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 178.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -78.98 2.83 19.01 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 122.901 0.481 . . . . 0.0 111.889 176.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 55.57 24.56 7.06 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.629 0.771 . . . . 0.0 112.849 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.132 0 O-C-N 121.888 -0.508 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 57.5 t90 . . . . . 0 N--CA 1.475 0.795 0 CA-C-O 120.562 0.22 . . . . 0.0 111.479 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 15.3 p30 -149.83 55.83 2.04 Favored Pre-proline 0 CA--C 1.536 0.408 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 -177.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -66.6 -18.25 53.73 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 123.751 2.967 . . . . 0.0 112.843 -174.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 31.6 p90 -157.25 -37.21 0.07 Allowed 'General case' 0 C--O 1.231 0.116 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 176.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -166.79 -33.79 0.03 OUTLIER 'General case' 0 N--CA 1.457 -0.12 0 N-CA-C 105.322 -2.103 . . . . 0.0 105.322 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.53 -153.08 0.2 Allowed 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 122.559 0.344 . . . . 0.0 111.276 179.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.01 9.15 5.51 Favored Glycine 0 CA--C 1.53 0.995 0 CA-C-O 119.161 -0.799 . . . . 0.0 113.784 -176.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.7 t -60.42 -16.36 12.46 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.158 0 CA-C-N 118.681 1.241 . . . . 0.0 110.613 -179.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -62.23 -13.05 23.97 Favored 'General case' 0 CA--C 1.531 0.25 0 O-C-N 121.612 -0.68 . . . . 0.0 111.731 178.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 50.0 pttt -69.02 -25.69 64.62 Favored 'General case' 0 C--N 1.338 0.108 0 CA-C-N 118.444 0.565 . . . . 0.0 110.342 178.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 65.0 tp -85.48 -39.43 17.48 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 176.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 p -65.89 -28.33 68.87 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 114.274 1.212 . . . . 0.0 114.274 179.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 58.6 tptt -63.57 -28.19 69.76 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 122.192 0.197 . . . . 0.0 110.531 176.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.47 -29.86 22.47 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 122.198 0.199 . . . . 0.0 111.05 177.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 82.3 mt -73.65 -36.98 48.49 Favored 'Isoleucine or valine' 0 C--N 1.339 0.137 0 O-C-N 122.25 -0.281 . . . . 0.0 111.213 -179.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.2 mp -67.83 -15.19 63.51 Favored 'General case' 0 CA--C 1.531 0.23 0 O-C-N 122.083 -0.386 . . . . 0.0 110.478 178.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.72 -21.73 28.13 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 118.022 0.374 . . . . 0.0 110.746 174.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 57.2 t -86.35 -33.75 7.51 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.143 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.2 mmm180 -73.29 164.04 27.24 Favored 'General case' 0 C--N 1.34 0.195 0 C-N-CA 122.579 0.352 . . . . 0.0 110.734 177.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -154.58 163.21 40.56 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.112 0.565 . . . . 0.0 110.408 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.117 0 O-C-N 122.408 -0.182 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 53.5 t90 . . . . . 0 N--CA 1.473 0.697 0 N-CA-C 111.524 0.194 . . . . 0.0 111.524 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -125.26 52.43 6.53 Favored Pre-proline 0 CA--C 1.533 0.302 0 N-CA-C 115.197 1.554 . . . . 0.0 115.197 -177.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -65.93 -23.22 54.74 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 123.127 2.551 . . . . 0.0 111.51 -178.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.405 ' CD2' ' N ' ' A' ' 5' ' ' PHE . 23.6 p90 -164.95 -151.57 0.15 Allowed 'General case' 0 C--O 1.234 0.247 0 N-CA-C 103.851 -2.648 . . . . 0.0 103.851 175.181 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.405 ' N ' ' CD2' ' A' ' 4' ' ' TYR . 1.3 t80 -54.03 -27.77 34.17 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 107.122 -1.436 . . . . 0.0 107.122 179.381 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 49.24 -147.48 0.3 Allowed 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.253 0.621 . . . . 0.0 111.101 177.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.01 5.48 18.3 Favored Glycine 0 CA--C 1.528 0.9 0 CA-C-O 119.565 -0.575 . . . . 0.0 113.697 -178.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.9 t -65.34 -14.55 16.97 Favored 'Isoleucine or valine' 0 C--O 1.23 0.064 0 CA-C-N 118.893 1.346 . . . . 0.0 112.145 -179.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -62.87 -11.83 20.87 Favored 'General case' 0 C--O 1.226 -0.161 0 O-C-N 122.003 -0.436 . . . . 0.0 110.476 174.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -62.6 -31.62 72.49 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 123.998 0.919 . . . . 0.0 110.618 175.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -84.25 -38.03 21.0 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 177.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.4 p -74.9 -29.92 61.13 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 115.414 1.635 . . . . 0.0 115.414 -175.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -65.33 -24.11 67.18 Favored 'General case' 0 C--N 1.339 0.114 0 CA-C-N 118.481 0.582 . . . . 0.0 110.676 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.62 -31.44 32.42 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 122.188 0.195 . . . . 0.0 110.823 176.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 95.2 mt -75.85 -35.74 30.98 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.128 0 O-C-N 122.256 -0.277 . . . . 0.0 110.616 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.8 mt -67.2 -14.84 63.29 Favored 'General case' 0 N--CA 1.453 -0.292 0 O-C-N 121.937 -0.477 . . . . 0.0 111.136 178.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.84 -21.95 26.09 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 122.204 0.202 . . . . 0.0 110.788 174.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 63.1 t -88.32 -32.77 6.1 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.4 mmt85 -74.82 162.76 28.36 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 122.734 0.413 . . . . 0.0 110.757 177.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -154.9 163.85 39.7 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 123.004 0.522 . . . . 0.0 110.459 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.114 0 O-C-N 122.149 -0.344 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . 0.529 ' CZ3' ' HB1' ' A' ' 6' ' ' ALA . 58.7 t90 . . . . . 0 N--CA 1.471 0.58 0 N-CA-C 111.511 0.189 . . . . 0.0 111.511 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.3 p30 -147.99 52.25 1.22 Allowed Pre-proline 0 CA--C 1.535 0.367 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 -178.049 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -65.53 -18.24 59.0 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 123.861 3.041 . . . . 0.0 112.199 -177.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 51.0 p90 -161.62 -157.2 0.48 Allowed 'General case' 0 C--O 1.231 0.118 0 N-CA-C 105.409 -2.071 . . . . 0.0 105.409 177.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . 0.285 42.8 m-85 -58.19 33.07 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 118.213 2.671 . . . . 0.0 118.213 173.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.529 ' HB1' ' CZ3' ' A' ' 1' ' ' TRP . . . -61.08 -16.26 42.02 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.75 0.82 . . . . 0.0 111.833 178.309 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.85 5.97 0.03 OUTLIER Glycine 0 CA--C 1.53 0.978 0 CA-C-O 120.093 -0.282 . . . . 0.0 112.779 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.6 t -64.44 -13.17 13.73 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 -176.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -63.35 -13.05 35.07 Favored 'General case' 0 C--O 1.231 0.128 0 O-C-N 121.48 -0.762 . . . . 0.0 111.773 -177.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.3 pttt -68.16 -22.77 64.83 Favored 'General case' 0 C--N 1.339 0.117 0 CA-C-N 118.029 0.377 . . . . 0.0 110.47 176.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 63.7 tp -90.15 -40.56 12.15 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 175.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.4 p -66.95 -26.93 67.07 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 114.467 1.284 . . . . 0.0 114.467 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -62.84 -29.05 70.44 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 117.859 0.299 . . . . 0.0 110.565 176.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.27 -31.1 23.28 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 122.453 0.301 . . . . 0.0 111.022 176.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 92.6 mt -73.82 -37.4 48.36 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.053 0 CA-C-N 118.029 0.377 . . . . 0.0 111.203 -178.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.5 mp -67.29 -14.55 63.02 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 118.05 0.386 . . . . 0.0 110.65 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.53 -22.45 28.13 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 117.949 0.341 . . . . 0.0 110.858 174.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 69.6 t -86.0 -29.35 6.15 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 72.3 mmt-85 -69.61 157.71 36.7 Favored 'General case' 0 C--O 1.23 0.071 0 CA-C-O 120.784 0.326 . . . . 0.0 110.824 177.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.1 -3.53 42.83 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.105 0.562 . . . . 0.0 111.954 -178.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.089 0 O-C-N 121.805 -0.559 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 55.5 t90 . . . . . 0 N--CA 1.472 0.664 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -156.16 74.79 4.9 Favored Pre-proline 0 CA--C 1.531 0.22 0 C-N-CA 123.06 0.544 . . . . 0.0 110.727 176.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -69.71 -16.85 37.96 Favored 'Trans proline' 0 N--CA 1.454 -0.807 0 C-N-CA 123.605 2.87 . . . . 0.0 112.788 -177.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 22.3 p90 -158.79 -44.65 0.06 Allowed 'General case' 0 C--O 1.231 0.129 0 N-CA-C 116.331 1.974 . . . . 0.0 116.331 177.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -169.12 35.52 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 -172.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.08 109.98 0.67 Allowed 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 121.079 0.466 . . . . 0.0 111.522 -172.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.72 5.17 36.69 Favored Glycine 0 CA--C 1.527 0.827 0 CA-C-O 119.195 -0.78 . . . . 0.0 113.979 176.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 25.9 t -68.4 -13.49 17.15 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-N 118.771 1.286 . . . . 0.0 111.494 -179.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -62.11 -16.35 51.79 Favored 'General case' 0 C--N 1.341 0.225 0 O-C-N 121.93 -0.481 . . . . 0.0 110.719 176.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.408 ' HE2' ' HB3' ' A' ' 10' ' ' LYS . 3.9 tmmm? -67.16 -28.33 68.03 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 122.652 0.381 . . . . 0.0 110.373 176.033 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 70.0 tp -82.65 -37.76 24.45 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 175.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.6 p -65.52 -29.57 70.23 Favored 'General case' 0 CA--C 1.52 -0.196 0 N-CA-C 114.206 1.188 . . . . 0.0 114.206 178.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -62.41 -28.48 69.82 Favored 'General case' 0 C--O 1.23 0.065 0 O-C-N 122.189 -0.319 . . . . 0.0 110.3 178.019 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.99 -30.0 21.57 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 122.438 0.295 . . . . 0.0 111.576 176.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 85.0 mt -76.98 -38.59 28.43 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.104 0 O-C-N 122.058 -0.401 . . . . 0.0 111.344 -178.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.5 mp -67.79 -20.31 65.19 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.38 -21.45 53.2 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 117.807 0.276 . . . . 0.0 110.737 175.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.0 t -91.83 -32.73 5.27 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 178.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 -80.58 -19.07 46.4 Favored 'General case' 0 CA--C 1.522 -0.122 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 -179.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -162.45 13.31 0.07 Allowed 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 112.673 0.619 . . . . 0.0 112.673 -175.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.068 0 O-C-N 121.65 -0.656 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 49.6 t90 . . . . . 0 N--CA 1.471 0.618 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -153.15 72.95 7.0 Favored Pre-proline 0 CA--C 1.537 0.443 0 C-N-CA 123.017 0.527 . . . . 0.0 111.56 179.205 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -70.82 -18.87 31.7 Favored 'Trans proline' 0 N--CA 1.454 -0.81 0 C-N-CA 123.924 3.083 . . . . 0.0 112.417 -178.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 26.6 p90 -160.58 -36.18 0.05 Allowed 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 114.806 1.41 . . . . 0.0 114.806 177.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -167.16 -32.48 0.02 OUTLIER 'General case' 0 C--N 1.341 0.196 0 N-CA-C 105.296 -2.113 . . . . 0.0 105.296 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.18 -152.23 0.21 Allowed 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 118.136 0.425 . . . . 0.0 111.908 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.37 8.74 8.74 Favored Glycine 0 CA--C 1.527 0.801 0 CA-C-O 119.127 -0.818 . . . . 0.0 113.584 -177.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 92.9 t -59.84 -17.29 13.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-N 118.869 1.334 . . . . 0.0 110.835 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 37.4 mtmm -63.21 -12.92 32.05 Favored 'General case' 0 CA--C 1.531 0.234 0 O-C-N 121.703 -0.623 . . . . 0.0 111.573 179.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 49.5 pttt -68.22 -25.13 65.06 Favored 'General case' 0 C--N 1.34 0.157 0 CA-C-N 118.253 0.479 . . . . 0.0 109.848 177.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 78.4 mt -84.38 -42.79 15.35 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 175.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 p -69.67 -29.28 66.7 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 114.406 1.261 . . . . 0.0 114.406 -175.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -61.28 -29.82 70.1 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 117.628 0.195 . . . . 0.0 110.571 179.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.32 -28.34 34.6 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 122.081 0.153 . . . . 0.0 110.895 177.149 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 86.0 mt -72.4 -34.61 49.29 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.084 0 CA-C-N 117.786 0.266 . . . . 0.0 110.747 -178.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.1 mp -66.81 -23.4 66.04 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 118.087 0.403 . . . . 0.0 110.057 177.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.66 -27.62 45.25 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 117.742 0.247 . . . . 0.0 110.588 177.209 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.9 t -74.88 -30.96 24.79 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 178.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.0 mtm180 -82.55 6.36 17.84 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 122.536 0.334 . . . . 0.0 111.883 176.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 55.13 24.0 5.81 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.805 0.842 . . . . 0.0 112.817 179.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.074 0 O-C-N 121.721 -0.612 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 61.3 t90 . . . . . 0 N--CA 1.472 0.659 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -157.22 69.85 4.41 Favored Pre-proline 0 CA--C 1.535 0.391 0 C-N-CA 122.684 0.393 . . . . 0.0 111.765 177.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -69.81 -36.6 10.38 Favored 'Trans proline' 0 N--CA 1.456 -0.695 0 C-N-CA 122.893 2.395 . . . . 0.0 110.734 179.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 10.7 p90 -171.86 145.18 1.86 Allowed 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 103.194 -2.891 . . . . 0.0 103.194 176.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . 0.378 37.9 m-85 40.81 23.51 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 119.039 2.977 . . . . 0.0 119.039 171.665 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.21 -8.97 57.14 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 121.633 -0.667 . . . . 0.0 111.746 -176.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.66 3.07 0.03 OUTLIER Glycine 0 CA--C 1.529 0.952 0 C-N-CA 123.198 0.428 . . . . 0.0 112.271 179.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.2 t -67.42 -10.92 13.16 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.122 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 -176.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -62.16 -12.01 17.46 Favored 'General case' 0 CA--C 1.529 0.137 0 O-C-N 121.609 -0.682 . . . . 0.0 110.891 177.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -62.49 -31.63 72.41 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.704 0.802 . . . . 0.0 110.275 174.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -86.04 -39.81 16.42 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 122.937 0.495 . . . . 0.0 109.699 176.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 p -71.77 -27.82 63.22 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 115.053 1.501 . . . . 0.0 115.053 -177.143 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 58.1 tptt -62.91 -31.99 73.18 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 118.03 0.377 . . . . 0.0 110.312 178.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.56 -27.69 51.59 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 122.102 0.161 . . . . 0.0 111.295 176.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 86.2 mt -79.25 -38.76 20.42 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 O-C-N 122.155 -0.341 . . . . 0.0 111.054 -178.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.2 mp -67.28 -20.14 65.59 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.894 -0.504 . . . . 0.0 109.902 178.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.75 -31.89 57.38 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 117.816 0.28 . . . . 0.0 110.332 175.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 51.7 t -75.03 -30.81 23.94 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.106 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 177.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 78.7 mtp85 -78.16 3.13 15.96 Favored 'General case' 0 C--N 1.338 0.085 0 C-N-CA 123.233 0.613 . . . . 0.0 112.283 176.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 55.14 25.86 7.63 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.842 0.857 . . . . 0.0 112.753 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.18 0 O-C-N 121.998 -0.439 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . 0.507 ' CZ3' ' HB1' ' A' ' 6' ' ' ALA . 63.5 t90 . . . . . 0 N--CA 1.471 0.589 0 N-CA-C 111.436 0.161 . . . . 0.0 111.436 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -136.85 51.11 4.35 Favored Pre-proline 0 CA--C 1.536 0.438 0 N-CA-C 114.407 1.262 . . . . 0.0 114.407 -178.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -70.05 -12.09 31.68 Favored 'Trans proline' 0 N--CA 1.455 -0.787 0 C-N-CA 123.446 2.764 . . . . 0.0 112.39 -176.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.44 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 1.9 p90 -163.83 -158.8 0.47 Allowed 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 103.261 -2.866 . . . . 0.0 103.261 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.44 ' N ' ' CG ' ' A' ' 4' ' ' TYR 0.262 41.7 m-85 -60.74 36.16 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 117.734 2.494 . . . . 0.0 117.734 173.931 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.507 ' HB1' ' CZ3' ' A' ' 1' ' ' TRP . . . -59.79 -18.32 42.57 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.737 0.815 . . . . 0.0 111.906 179.003 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.92 6.46 0.03 OUTLIER Glycine 0 CA--C 1.529 0.954 0 C-N-CA 123.14 0.4 . . . . 0.0 112.128 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.6 t -64.16 -13.7 14.21 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.078 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 -176.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -62.38 -13.95 34.8 Favored 'General case' 0 CA--C 1.527 0.08 0 O-C-N 121.519 -0.738 . . . . 0.0 112.115 -176.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 52.3 pttt -67.83 -22.38 65.15 Favored 'General case' 0 C--N 1.339 0.136 0 CA-C-N 118.29 0.496 . . . . 0.0 110.518 176.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 64.6 tp -91.81 -39.17 11.91 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 175.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.4 p -67.63 -24.8 65.5 Favored 'General case' 0 CA--C 1.521 -0.153 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -65.64 -29.42 69.99 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 176.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.8 -31.44 23.89 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 122.279 0.232 . . . . 0.0 111.263 177.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 88.7 mt -73.13 -36.55 50.61 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.111 0 O-C-N 122.341 -0.224 . . . . 0.0 110.95 -179.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 76.4 mt -67.7 -15.27 63.55 Favored 'General case' 0 N--CA 1.454 -0.234 0 O-C-N 122.151 -0.343 . . . . 0.0 110.84 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.2 -22.79 26.75 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 117.933 0.333 . . . . 0.0 110.567 174.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.4 t -84.52 -29.57 6.99 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.063 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 179.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 78.4 mtp85 -71.85 156.43 39.31 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 122.756 0.423 . . . . 0.0 111.315 178.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.02 161.15 31.63 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.182 0.593 . . . . 0.0 110.891 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.141 0 CA-C-N 116.505 -0.316 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 60.3 t90 . . . . . 0 N--CA 1.473 0.691 0 CA-C-O 120.5 0.19 . . . . 0.0 111.394 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 16.0 p30 -154.49 58.98 2.26 Favored Pre-proline 0 CA--C 1.537 0.446 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -178.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -66.19 -20.79 55.99 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 123.609 2.872 . . . . 0.0 112.518 -174.005 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -157.66 -39.57 0.07 Allowed 'General case' 0 C--O 1.231 0.11 0 N-CA-C 114.193 1.183 . . . . 0.0 114.193 176.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -147.7 -55.18 0.22 Allowed 'General case' 0 C--O 1.225 -0.229 0 N-CA-C 116.024 1.861 . . . . 0.0 116.024 177.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.39 21.12 1.11 Allowed 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 178.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.93 -1.74 55.31 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 121.792 -0.568 . . . . 0.0 113.621 179.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 99.9 t -67.21 -7.66 6.65 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-N 118.227 1.013 . . . . 0.0 111.293 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -59.4 -15.96 20.1 Favored 'General case' 0 C--N 1.343 0.285 0 O-C-N 121.114 -0.991 . . . . 0.0 110.614 175.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -60.14 -28.35 67.83 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 123.631 0.772 . . . . 0.0 110.655 175.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 66.4 tp -91.37 -36.79 13.62 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 176.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.4 p -67.42 -32.99 74.25 Favored 'General case' 0 C--O 1.227 -0.08 0 N-CA-C 114.63 1.345 . . . . 0.0 114.63 -179.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -66.9 -23.51 66.0 Favored 'General case' 0 C--N 1.339 0.139 0 CA-C-N 118.272 0.487 . . . . 0.0 111.102 176.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.27 -33.12 24.07 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 110.611 -0.144 . . . . 0.0 110.611 175.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 76.2 mt -73.52 -35.44 45.13 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 O-C-N 122.476 -0.14 . . . . 0.0 110.886 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 74.7 mt -67.12 -15.16 63.54 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 122.192 -0.317 . . . . 0.0 111.022 179.044 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.61 -22.82 24.53 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 122.341 0.256 . . . . 0.0 110.731 175.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 64.7 t -84.02 -28.46 7.27 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.142 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 78.5 mtp85 -71.86 157.36 38.01 Favored 'General case' 0 C--O 1.23 0.069 0 C-N-CA 122.723 0.409 . . . . 0.0 110.994 177.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.48 -3.84 39.41 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.184 0.594 . . . . 0.0 112.158 -179.123 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 -0.022 0 O-C-N 121.942 -0.474 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . 0.46 ' CZ3' ' HB1' ' A' ' 6' ' ' ALA . 38.6 t90 . . . . . 0 N--CA 1.474 0.728 0 CA-C-O 120.311 0.1 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -149.34 60.2 4.47 Favored Pre-proline 0 CA--C 1.537 0.463 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 -177.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_endo -71.31 -23.97 23.49 Favored 'Trans proline' 0 N--CA 1.457 -0.618 0 C-N-CA 123.138 2.559 . . . . 0.0 111.062 176.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 21.8 p90 -165.48 -173.38 2.77 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 102.257 -3.238 . . . . 0.0 102.257 176.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -40.45 -32.86 0.22 Allowed 'General case' 0 C--O 1.224 -0.264 0 N-CA-C 117.958 2.577 . . . . 0.0 117.958 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.46 ' HB1' ' CZ3' ' A' ' 1' ' ' TRP . . . 52.36 18.87 0.99 Allowed 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -178.562 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.49 -5.58 54.91 Favored Glycine 0 CA--C 1.532 1.103 0 CA-C-O 119.483 -0.62 . . . . 0.0 113.9 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.4 t -67.21 -22.8 29.56 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-N 118.502 1.151 . . . . 0.0 112.313 -177.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -64.61 -8.02 12.68 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 118.982 0.81 . . . . 0.0 112.501 -177.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 48.8 pttt -68.94 -22.14 64.16 Favored 'General case' 0 C--O 1.226 -0.139 0 CA-C-N 118.643 0.656 . . . . 0.0 110.057 175.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 63.9 tp -91.41 -40.38 11.46 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 174.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.4 p -65.63 -33.5 76.05 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 114.403 1.26 . . . . 0.0 114.403 -178.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.28 -19.02 65.7 Favored 'General case' 0 N--CA 1.457 -0.094 0 CA-C-N 118.282 0.492 . . . . 0.0 110.697 178.43 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.95 -24.24 18.46 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 122.374 0.27 . . . . 0.0 110.579 174.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 58.9 mt -73.58 -35.84 45.85 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 O-C-N 122.123 -0.361 . . . . 0.0 110.682 178.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.02 -18.02 64.94 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 118.273 0.488 . . . . 0.0 110.36 178.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.83 -10.74 41.61 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 111.884 0.328 . . . . 0.0 111.884 177.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.45 HG12 ' H ' ' A' ' 20' ' ' ALA . 82.4 t -121.21 -57.86 2.9 Favored 'Isoleucine or valine' 0 C--O 1.232 0.153 0 N-CA-C 112.111 0.412 . . . . 0.0 112.111 -174.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 42.5 mtp180 47.39 30.59 1.6 Allowed 'General case' 0 C--N 1.341 0.207 0 C-N-CA 124.8 1.24 . . . . 0.0 114.018 -179.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.45 ' H ' HG12 ' A' ' 18' ' ' VAL . . . 53.95 22.33 3.32 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.489 1.115 . . . . 0.0 112.865 -179.379 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.113 0 O-C-N 121.753 -0.592 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 54.8 t90 . . . . . 0 N--CA 1.474 0.728 0 N-CA-C 111.583 0.216 . . . . 0.0 111.583 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 15.4 p30 -150.94 56.64 2.12 Favored Pre-proline 0 CA--C 1.534 0.351 0 N-CA-C 114.136 1.161 . . . . 0.0 114.136 -177.394 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -66.41 -18.07 54.48 Favored 'Trans proline' 0 N--CA 1.455 -0.77 0 C-N-CA 123.685 2.923 . . . . 0.0 112.84 -174.057 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 33.2 p90 -157.03 -36.86 0.08 Allowed 'General case' 0 C--O 1.231 0.092 0 N-CA-C 114.244 1.202 . . . . 0.0 114.244 176.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -167.33 -35.66 0.02 OUTLIER 'General case' 0 C--N 1.34 0.187 0 N-CA-C 105.039 -2.208 . . . . 0.0 105.039 179.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 52.25 -153.61 0.21 Allowed 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 118.2 0.454 . . . . 0.0 111.376 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.61 10.09 5.48 Favored Glycine 0 CA--C 1.528 0.903 0 CA-C-O 119.404 -0.664 . . . . 0.0 114.043 -177.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 82.9 t -59.88 -17.18 12.93 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 CA-C-N 118.662 1.231 . . . . 0.0 110.738 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -62.73 -13.8 37.0 Favored 'General case' 0 CA--C 1.53 0.194 0 O-C-N 121.682 -0.636 . . . . 0.0 111.683 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 49.9 pttt -67.46 -24.46 65.62 Favored 'General case' 0 CA--C 1.528 0.106 0 CA-C-N 118.491 0.587 . . . . 0.0 110.014 177.362 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.9 mt -85.53 -42.6 14.26 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 122.992 0.517 . . . . 0.0 109.613 175.17 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.4 p -70.28 -27.77 64.68 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 114.595 1.331 . . . . 0.0 114.595 -176.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -64.05 -30.21 71.3 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 110.533 -0.173 . . . . 0.0 110.533 179.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.9 -28.52 39.83 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 122.207 0.203 . . . . 0.0 110.876 177.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 94.9 mt -74.85 -35.92 37.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 O-C-N 122.176 -0.328 . . . . 0.0 110.578 -179.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 91.3 mt -67.39 -15.02 63.44 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 122.287 -0.258 . . . . 0.0 111.067 179.173 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.61 -23.19 25.83 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 122.324 0.249 . . . . 0.0 110.364 175.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.1 t -85.6 -33.45 7.7 Favored 'Isoleucine or valine' 0 C--O 1.23 0.055 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 -179.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 56.5 mmm-85 -74.0 160.19 31.66 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 122.539 0.335 . . . . 0.0 110.553 177.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -154.42 165.22 37.07 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 122.94 0.496 . . . . 0.0 110.683 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.24 0 O-C-N 122.143 -0.348 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . 0.517 ' CZ3' ' HB1' ' A' ' 6' ' ' ALA . 56.5 t90 . . . . . 0 N--CA 1.474 0.733 0 CA-C-O 120.701 0.286 . . . . 0.0 111.259 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.8 p30 -146.98 53.97 1.85 Allowed Pre-proline 0 CA--C 1.535 0.387 0 N-CA-C 114.711 1.375 . . . . 0.0 114.711 -178.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -66.64 -17.57 52.87 Favored 'Trans proline' 0 N--CA 1.46 -0.49 0 C-N-CA 123.976 3.118 . . . . 0.0 112.137 -178.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 50.6 p90 -162.33 -158.0 0.5 Allowed 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 105.086 -2.19 . . . . 0.0 105.086 177.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . 0.289 38.7 m-85 -56.83 28.84 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 118.194 2.664 . . . . 0.0 118.194 173.372 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.517 ' HB1' ' CZ3' ' A' ' 1' ' ' TRP . . . -60.15 -14.94 19.74 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.335 1.054 . . . . 0.0 111.797 178.467 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.02 4.74 0.03 OUTLIER Glycine 0 CA--C 1.529 0.919 0 CA-C-O 119.951 -0.361 . . . . 0.0 112.989 178.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.5 t -65.97 -12.46 14.22 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 -176.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 36.2 mtmm -63.27 -13.58 39.84 Favored 'General case' 0 N--CA 1.462 0.144 0 O-C-N 121.392 -0.817 . . . . 0.0 111.856 -177.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 53.0 pttt -67.85 -23.21 65.12 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 118.22 0.464 . . . . 0.0 110.354 177.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 69.1 tp -89.8 -39.72 12.93 Favored 'General case' 0 N--CA 1.457 -0.124 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 175.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 p -68.19 -27.56 66.5 Favored 'General case' 0 CA--C 1.52 -0.182 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 -179.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 58.4 tptt -62.39 -29.89 70.81 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 177.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.9 -34.96 24.42 Favored 'General case' 0 N--CA 1.456 -0.172 0 O-C-N 122.428 -0.17 . . . . 0.0 110.937 176.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 88.0 mt -69.74 -34.25 60.0 Favored 'Isoleucine or valine' 0 C--O 1.231 0.114 0 CA-C-N 118.031 0.378 . . . . 0.0 111.438 -178.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.9 mp -69.1 -16.85 63.77 Favored 'General case' 0 CA--C 1.531 0.216 0 O-C-N 121.895 -0.503 . . . . 0.0 110.179 178.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.71 -17.36 30.09 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 118.078 0.399 . . . . 0.0 111.632 176.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 51.8 t -80.34 -14.09 12.98 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 68.3 mtm180 -63.66 156.38 27.02 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 122.958 0.503 . . . . 0.0 111.011 -179.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -154.77 163.99 39.46 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 122.938 0.495 . . . . 0.0 110.433 -179.258 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.093 0 O-C-N 122.142 -0.349 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . 0.469 ' CZ3' ' HB1' ' A' ' 6' ' ' ALA . 48.5 t90 . . . . . 0 N--CA 1.476 0.855 0 CA-C-O 120.972 0.415 . . . . 0.0 111.128 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -124.46 50.67 3.99 Favored Pre-proline 0 CA--C 1.536 0.441 0 N-CA-C 114.622 1.341 . . . . 0.0 114.622 -177.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -65.96 -22.58 55.4 Favored 'Trans proline' 0 N--CA 1.46 -0.46 0 C-N-CA 123.488 2.792 . . . . 0.0 112.316 -177.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.423 ' C ' ' H ' ' A' ' 6' ' ' ALA . 39.1 p90 -165.69 -158.22 0.35 Allowed 'General case' 0 C--O 1.232 0.136 0 N-CA-C 103.269 -2.864 . . . . 0.0 103.269 177.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . 0.303 35.7 m-85 -56.74 27.47 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 118.2 2.667 . . . . 0.0 118.2 172.283 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.469 ' HB1' ' CZ3' ' A' ' 1' ' ' TRP . . . -60.87 -14.19 20.46 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 124.372 1.069 . . . . 0.0 111.969 176.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.64 1.5 0.03 OUTLIER Glycine 0 CA--C 1.53 1.015 0 C-N-CA 122.99 0.328 . . . . 0.0 112.901 178.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.0 t -66.03 -11.09 12.11 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 N-CA-C 114.209 1.188 . . . . 0.0 114.209 -177.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -62.61 -14.6 44.77 Favored 'General case' 0 N--CA 1.461 0.117 0 O-C-N 121.276 -0.89 . . . . 0.0 110.4 176.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -60.1 -31.3 69.9 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.228 0.611 . . . . 0.0 110.456 174.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 57.6 mt -84.68 -40.76 16.99 Favored 'General case' 0 N--CA 1.452 -0.346 0 O-C-N 123.15 0.281 . . . . 0.0 110.369 176.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 p -70.68 -33.9 71.41 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 115.158 1.54 . . . . 0.0 115.158 -175.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -63.83 -21.98 66.69 Favored 'General case' 0 C--N 1.339 0.139 0 CA-C-N 118.036 0.38 . . . . 0.0 111.506 178.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.44 -31.2 24.73 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 122.093 0.157 . . . . 0.0 110.776 175.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 84.7 mt -77.64 -37.96 25.04 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.058 0 C-N-CA 122.408 0.283 . . . . 0.0 110.845 -178.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.1 mp -67.07 -15.53 63.78 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 118.03 0.377 . . . . 0.0 110.36 178.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.3 -21.12 25.94 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 122.566 0.347 . . . . 0.0 111.124 175.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 42.2 t -85.13 -32.35 7.31 Favored 'Isoleucine or valine' 0 C--N 1.339 0.14 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 -179.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.0 mtm180 -74.41 159.05 32.84 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 117.976 0.353 . . . . 0.0 110.725 178.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -154.5 164.8 38.13 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.296 0.638 . . . . 0.0 110.414 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.189 0 O-C-N 122.227 -0.296 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_