data_6oky_residue ############################ # Computer software used # ############################ 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 6oky _Structure_validation_residue.Date_analyzed 2020-02-21 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 ' 3' ' ' VAL . . . . . . . . . . . . . 53.3 t . . . . . 0 CA--C 1.533 0.324 0 CA-C-O 120.402 0.144 . . . . 0.0 110.694 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -67.26 -28.2 67.83 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 120.852 -0.339 . . . . 0.0 111.026 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -70.41 -24.89 63.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.721 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.42 ' O ' ' OG1' ' A' ' 7' ' ' THR . 84.9 mt -94.56 -3.94 48.83 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.522 179.611 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 6' ' ' LEU . 6.2 p 57.47 15.58 2.81 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.542 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.44 -23.26 67.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.646 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 55.4 p30 -84.21 3.69 34.06 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.88 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.14 -37.68 83.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.643 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -64.29 -35.51 81.08 Favored 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 120.916 -0.314 . . . . 0.0 110.526 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.7 mt -63.97 -35.23 80.0 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.737 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -62.8 -37.35 86.37 Favored 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.822 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -61.57 -38.4 87.38 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.442 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.7 mt -63.64 -35.44 80.52 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 121.065 -0.254 . . . . 0.0 110.428 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.68 -36.48 80.98 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.649 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -61.83 -36.63 81.75 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.46 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -63.22 -35.7 81.19 Favored 'General case' 0 CA--C 1.528 0.106 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.627 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -65.7 144.13 57.1 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.875 0.369 . . . . 0.0 110.472 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.603 ' ND1' ' N ' ' A' ' 21' ' ' GLU . 62.9 t-80 -159.37 174.26 15.0 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.07 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.603 ' N ' ' ND1' ' A' ' 20' ' ' HIS . 97.4 mt-10 -62.75 -36.86 84.42 Favored 'General case' 0 C--N 1.34 0.159 0 C-N-CA 120.266 -0.574 . . . . 0.0 110.036 179.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.18 -37.66 88.09 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.14 179.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.24 -37.34 82.72 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 120.681 -0.407 . . . . 0.0 110.675 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -63.81 -37.0 85.75 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.595 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.3 mt -80.95 -16.88 52.28 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.744 0.307 . . . . 0.0 110.371 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.42 -38.28 89.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.568 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.444 ' O ' ' OG ' ' A' ' 30' ' ' SER . 59.2 ttt85 -61.67 -38.05 86.33 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.61 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.51 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 3.2 mm? -63.51 -37.17 86.27 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.508 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -85.67 -15.45 42.32 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 121.016 -0.274 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.444 ' OG ' ' O ' ' A' ' 27' ' ' ARG . 87.2 p -66.32 -20.81 66.19 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.579 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.419 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 88.5 tt0 -62.14 -39.2 91.77 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.432 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -81.5 -20.62 39.74 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.738 0.304 . . . . 0.0 110.819 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -91.44 -4.13 55.93 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.402 -179.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' A' ' 31' ' ' GLU . 55.1 p30 -80.93 1.08 32.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.021 -179.582 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -98.95 4.2 47.24 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.905 0.383 . . . . 0.0 110.278 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -62.37 -36.66 82.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.578 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.1 ttmm -61.64 -38.57 88.15 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.419 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.8 mmmt -62.38 -36.67 83.0 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.552 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -65.23 -29.37 70.16 Favored 'General case' 0 C--N 1.333 -0.131 0 C-N-CA 120.931 -0.308 . . . . 0.0 110.484 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.95 -24.77 68.04 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.362 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.17 -37.79 86.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.576 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 59.9 ttp180 -61.37 -38.08 85.71 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.638 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -67.61 -23.32 65.36 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.688 0.28 . . . . 0.0 111.154 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.61 -23.44 66.03 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.772 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.7 mt -66.11 -28.72 69.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.378 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 . . . . . 0 C--N 1.332 -0.188 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.608 -179.948 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.572 ' C ' ' H ' ' A' ' 5' ' ' LYS . 9.8 p . . . . . 0 N--CA 1.463 0.207 0 CA-C-O 120.722 0.296 . . . . 0.0 110.533 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 76.8 tt0 60.46 -5.7 0.1 Allowed 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.081 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.572 ' H ' ' C ' ' A' ' 3' ' ' VAL . 73.1 mmtt 56.33 36.41 27.46 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.1 tp -62.93 -39.09 93.51 Favored 'General case' 0 N--CA 1.463 0.195 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.447 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.5 m 51.42 55.38 9.52 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.821 0.343 . . . . 0.0 110.543 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.07 -26.23 68.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.427 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.426 ' OD1' ' O ' ' A' ' 9' ' ' ASP . 67.3 t0 -61.74 -36.66 81.64 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.674 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.59 -37.01 79.94 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 120.821 -0.351 . . . . 0.0 110.641 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.22 -38.5 89.42 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.402 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.4 mt -64.93 -34.98 79.71 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.503 179.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -66.01 -28.31 68.78 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.679 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -62.06 -36.55 81.97 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.712 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.506 ' CD2' ' N ' ' A' ' 15' ' ' LEU . 3.2 mm? -63.19 -36.12 82.57 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.23 179.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -65.79 -22.04 66.54 Favored 'General case' 0 C--N 1.333 -0.131 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 54.65 40.07 31.65 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.793 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.519 ' OE1' ' NE2' ' A' ' 20' ' ' HIS . 98.0 mt-10 -62.3 -36.45 82.15 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.622 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 55.37 51.67 12.6 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.046 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.519 ' NE2' ' OE1' ' A' ' 18' ' ' GLU . 92.2 m-70 -66.46 -26.1 67.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.393 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -62.86 -36.88 84.73 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.818 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.426 ' O ' ' OE1' ' A' ' 26' ' ' GLU . 98.6 mt-10 -63.55 -36.85 85.16 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.001 179.521 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.38 -36.06 79.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.655 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -64.77 -28.66 69.73 Favored 'General case' 0 N--CA 1.462 0.166 0 C-N-CA 121.117 -0.233 . . . . 0.0 111.135 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.1 tp -60.68 -39.76 89.64 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.505 -179.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.426 ' OE1' ' O ' ' A' ' 22' ' ' GLU . 60.0 mp0 -64.03 -35.35 80.45 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.274 179.503 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -63.52 -35.71 81.38 Favored 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.797 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.2 tp -60.9 -39.61 89.97 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.634 -0.427 . . . . 0.0 110.464 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.0 mtmm -63.15 -36.31 83.19 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.28 179.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 74.5 m -61.71 -36.53 81.19 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.663 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -61.55 -37.61 84.43 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.119 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.19 -21.06 64.8 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.72 0.295 . . . . 0.0 110.761 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.11 -32.55 71.1 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.57 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -61.0 -36.95 80.82 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.472 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 74.5 m80 -65.57 -34.77 79.02 Favored 'General case' 0 C--N 1.333 -0.113 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.299 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -63.14 -26.06 68.64 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.712 0.291 . . . . 0.0 110.524 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -60.57 -38.47 84.68 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.505 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -62.5 -36.17 81.68 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.254 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -62.46 -27.89 69.43 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.771 0.319 . . . . 0.0 110.672 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.98 -18.28 32.56 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.118 -179.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -58.08 -20.23 38.09 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.206 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -62.95 -35.81 81.37 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.59 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -65.79 -22.18 66.55 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.744 0.307 . . . . 0.0 110.969 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.73 -23.62 65.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.63 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.5 tp -62.0 -38.95 90.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.332 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 . . . . . 0 C--O 1.233 0.193 0 C-N-CA 120.952 -0.299 . . . . 0.0 110.625 179.992 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 53.4 t . . . . . 0 CA--C 1.532 0.266 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.83 -36.65 83.89 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.711 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -68.59 -23.41 64.47 Favored 'General case' 0 C--O 1.232 0.165 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.9 tp 44.23 28.07 0.26 Allowed 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.411 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.481 ' CG2' ' OD1' ' A' ' 9' ' ' ASP . 95.9 m -115.35 126.79 54.86 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.416 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -112.86 -3.15 14.19 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.183 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.481 ' OD1' ' CG2' ' A' ' 7' ' ' THR . 55.0 p30 -86.09 4.14 39.45 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.809 0.338 . . . . 0.0 110.808 -179.578 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.39 -25.54 67.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.594 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -63.57 -36.4 83.66 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.672 -179.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.1 mt -63.39 -38.21 90.25 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.626 -178.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.435 ' OE1' ' O ' ' A' ' 9' ' ' ASP . 25.4 mp0 -64.02 -37.25 86.74 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.42 -179.69 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.462 ' NH2' ' CD ' ' A' ' 26' ' ' GLU . 78.0 mtm180 -62.56 -36.47 82.77 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 120.449 -0.5 . . . . 0.0 110.625 -179.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.6 tp -62.01 -38.84 90.16 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 120.726 -0.389 . . . . 0.0 110.392 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -64.98 -26.14 68.16 Favored 'General case' 0 C--O 1.231 0.117 0 C-N-CA 120.834 -0.347 . . . . 0.0 110.611 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 54.43 39.58 31.13 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.41 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.98 -38.3 88.05 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.765 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 90.6 mtm180 -121.71 129.69 52.91 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.867 0.365 . . . . 0.0 110.624 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -69.58 -35.61 75.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.21 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 23.4 pm0 -67.05 -20.54 65.85 Favored 'General case' 0 C--O 1.232 0.136 0 C-N-CA 120.936 -0.305 . . . . 0.0 111.603 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.83 -38.34 87.8 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.445 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.47 -36.49 80.58 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.6 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -63.38 -36.0 82.25 Favored 'General case' 0 N--CA 1.462 0.167 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.811 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 90.2 mt -68.02 -25.13 65.23 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 120.971 -0.292 . . . . 0.0 110.629 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.462 ' CD ' ' NH2' ' A' ' 14' ' ' ARG . 88.5 tt0 -60.81 -37.85 83.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.775 -179.504 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.426 ' O ' ' OG ' ' A' ' 30' ' ' SER . 91.5 mtm180 -63.22 -36.77 84.76 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.697 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.512 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 3.2 mm? -63.19 -36.62 84.25 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.544 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.19 -38.77 87.73 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.661 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.426 ' OG ' ' O ' ' A' ' 27' ' ' ARG . 94.4 p -62.23 -30.22 70.94 Favored 'General case' 0 C--N 1.334 -0.068 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.633 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -62.84 -39.49 94.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.807 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.63 -36.67 81.41 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.059 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -95.32 22.33 6.99 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 111.604 0.224 . . . . 0.0 111.604 -179.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 53.6 p-10 -81.68 2.66 28.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.784 0.326 . . . . 0.0 110.467 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -98.09 6.29 47.73 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.98 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 56.0 p30 -85.88 3.13 43.14 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.342 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.11 -36.51 81.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.72 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -61.14 -38.26 85.79 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.353 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.43 -35.63 79.85 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.526 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.72 -26.69 68.21 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.481 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -62.13 -38.02 87.35 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 -62.17 -36.59 82.34 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.301 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -62.83 -36.82 84.45 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.621 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.39 -21.61 60.16 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.2 -178.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.4 mt -65.28 -29.7 70.49 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.27 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 . . . . . 0 CA--C 1.531 0.225 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.235 179.941 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.4 m . . . . . 0 N--CA 1.468 0.45 0 CA-C-O 120.812 0.339 . . . . 0.0 110.49 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -65.84 -28.97 69.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.618 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.19 -37.12 84.06 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.699 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.466 ' N ' ' CD1' ' A' ' 6' ' ' LEU . 7.9 mp -63.11 -36.94 85.26 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.754 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 73.2 p -84.89 -9.06 58.49 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.745 0.307 . . . . 0.0 110.724 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.94 -25.75 68.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.426 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -62.95 -29.36 70.74 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.534 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.61 -27.63 68.79 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.487 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.37 -36.65 82.92 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.671 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.7 mt -67.89 -28.66 67.7 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 120.924 -0.311 . . . . 0.0 110.349 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.1 tp-100 -61.79 -36.34 80.8 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.456 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 42.6 ttm105 -60.74 -37.8 82.99 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.529 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.502 ' CD2' ' N ' ' A' ' 15' ' ' LEU . 3.3 mm? -62.63 -36.87 84.17 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 120.594 -0.443 . . . . 0.0 110.306 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -61.86 -38.95 90.18 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.431 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -79.37 -12.68 59.91 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.821 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.37 -36.84 85.04 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.411 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 56.23 38.05 29.43 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.93 0.395 . . . . 0.0 110.325 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -61.9 -38.61 89.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.832 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -62.17 -37.65 86.06 Favored 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.856 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.03 -36.01 83.01 Favored 'General case' 0 N--CA 1.462 0.145 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.145 179.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.63 -26.16 67.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.498 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -62.11 -37.16 84.05 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.499 ' CD2' ' N ' ' A' ' 25' ' ' LEU . 3.2 mm? -61.98 -36.99 83.12 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.254 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.58 -36.34 83.48 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.009 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -68.4 -18.3 64.42 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -179.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 91.6 mt -63.98 -28.9 70.13 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 120.889 -0.324 . . . . 0.0 111.678 -179.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 63.2 pttt -55.23 -29.93 58.99 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 120.393 -0.523 . . . . 0.0 110.706 -178.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 73.7 m -61.67 -37.41 83.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.52 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -62.83 -37.02 85.16 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.127 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.57 -20.46 63.32 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.888 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.8 -33.96 72.42 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.382 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.79 -36.42 81.05 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.847 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -88.4 -8.48 54.95 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.687 0.279 . . . . 0.0 110.853 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -74.44 -13.16 60.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.442 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.2 pttm -60.52 -26.82 67.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -62.3 -36.89 83.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.403 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.5 -33.8 76.38 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 121.095 -0.242 . . . . 0.0 110.677 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.55 -25.66 66.33 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 120.954 -0.298 . . . . 0.0 110.966 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.03 -36.37 81.35 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.492 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -61.68 -37.92 85.87 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.512 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -66.62 -22.89 66.12 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.033 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.25 -23.36 65.59 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.679 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.6 tp -61.8 -39.23 91.02 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.486 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 CA--C 1.529 0.163 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.545 -179.948 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 53.7 t . . . . . 0 CA--C 1.531 0.231 0 CA-C-O 120.662 0.268 . . . . 0.0 110.302 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -59.97 -35.32 74.73 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.845 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -60.75 -37.57 82.25 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 120.952 -0.299 . . . . 0.0 111.296 -179.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.6 mp -62.94 -37.11 85.72 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.72 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 76.6 p -81.87 -11.39 58.95 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.803 0.335 . . . . 0.0 110.645 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 53.03 26.97 5.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.526 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -62.56 -35.28 78.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.555 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.93 -28.55 69.02 Favored 'General case' 0 C--O 1.232 0.178 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.662 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -68.03 -27.94 66.96 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.367 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.7 mt -63.18 -38.38 90.93 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.038 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -65.0 -36.53 84.7 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.809 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 77.4 mtp85 -62.29 -36.75 83.07 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.524 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.6 mt -63.29 -36.28 83.15 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.275 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -65.61 -24.57 67.09 Favored 'General case' 0 C--N 1.334 -0.084 0 CA-C-O 120.783 0.325 . . . . 0.0 110.564 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 32.6 m120 55.57 38.7 30.54 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.417 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.19 -37.91 87.11 Favored 'General case' 0 N--CA 1.463 0.187 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.488 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 66.45 96.53 0.05 Allowed 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.3 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -88.98 -3.97 58.57 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.422 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -64.65 -36.91 85.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.505 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -65.88 -34.89 79.18 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.868 0.366 . . . . 0.0 110.242 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.12 -26.87 67.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.706 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -62.95 -36.55 83.83 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.421 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.3 tp -62.2 -38.9 90.9 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.91 -37.98 86.65 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.259 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.433 ' O ' ' OG ' ' A' ' 30' ' ' SER . 72.0 ttp85 -61.48 -37.67 84.49 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.15 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.3 tp -62.05 -38.68 89.67 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.262 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -61.38 -38.94 88.84 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.623 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.433 ' OG ' ' O ' ' A' ' 27' ' ' ARG . 95.6 p -62.95 -30.33 71.49 Favored 'General case' 0 C--O 1.231 0.092 0 C-N-CA 120.801 -0.359 . . . . 0.0 110.529 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -62.66 -39.63 94.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.756 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.78 -36.9 82.42 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.894 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -96.37 23.04 7.09 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 120.632 0.254 . . . . 0.0 111.223 -179.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.503 ' OD1' ' CE1' ' A' ' 35' ' ' HIS . 66.1 t0 -68.92 129.43 39.91 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.835 0.35 . . . . 0.0 110.528 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.503 ' CE1' ' OD1' ' A' ' 34' ' ' ASP . 25.0 m80 65.41 4.12 2.59 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.189 -179.418 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -89.92 -10.86 43.57 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.039 0.447 . . . . 0.0 109.883 179.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -62.46 -36.52 82.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.493 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -62.21 -36.48 82.06 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.501 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.96 -38.08 87.16 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.392 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.93 -37.18 81.41 Favored 'General case' 0 N--CA 1.462 0.175 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.317 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -63.55 -35.71 81.39 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.47 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -62.52 -36.91 84.07 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.558 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.518 ' NZ ' ' OE1' ' A' ' 46' ' ' GLU . 58.8 tptt -62.28 -37.27 84.88 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.433 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.12 -20.01 49.71 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.775 0.321 . . . . 0.0 111.043 -178.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.3 tp -61.17 -39.01 88.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.432 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.518 ' OE1' ' NZ ' ' A' ' 43' ' ' LYS . 98.9 mt-10 . . . . . 0 CA--C 1.529 0.146 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.413 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 53.3 t . . . . . 0 CA--C 1.531 0.233 0 N-CA-C 110.575 -0.157 . . . . 0.0 110.575 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -62.24 -38.88 90.93 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.409 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -66.34 -28.76 68.92 Favored 'General case' 0 C--N 1.333 -0.125 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.638 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.4 tp -62.43 -39.1 92.22 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.708 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 75.7 p -82.57 -12.18 57.91 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.797 0.332 . . . . 0.0 110.614 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 46.67 28.11 0.75 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.48 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -64.14 -27.06 68.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.536 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.44 -28.31 69.18 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.647 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.39 -36.68 83.07 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.694 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.1 mt -63.96 -36.27 83.42 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.362 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.519 ' NE2' ' OE2' ' A' ' 22' ' ' GLU . 53.5 tt0 -62.32 -36.44 82.17 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.47 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.08 -34.92 77.19 Favored 'General case' 0 C--N 1.333 -0.143 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.569 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.4 tp -59.9 -38.14 81.43 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -60.6 -36.07 77.67 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 62.5 t30 60.3 40.2 18.01 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 178.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -141.78 154.5 45.28 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 96.2 mtt-85 58.06 57.05 4.25 Favored 'General case' 0 C--N 1.349 0.584 0 CA-C-N 118.435 0.561 . . . . 0.0 111.538 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -88.37 -1.71 58.19 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.529 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.7 -38.3 89.86 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.453 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.519 ' OE2' ' NE2' ' A' ' 13' ' ' GLN . 23.4 pt-20 -61.88 -19.95 63.2 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.673 -179.645 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.2 -37.37 82.75 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.713 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.02 -37.33 87.02 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.357 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.499 ' CD1' ' N ' ' A' ' 25' ' ' LEU . 7.6 mp -64.14 -36.15 83.09 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 121.032 -0.267 . . . . 0.0 110.389 179.584 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.08 -38.16 87.76 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.469 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 89.3 mmt-85 -82.43 -17.43 45.42 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 59.8 tp -63.19 -40.32 97.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.419 -179.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -67.63 -22.73 65.32 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 120.546 -0.462 . . . . 0.0 111.259 -179.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 74.3 m -61.76 -37.73 85.38 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.735 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.91 -38.05 89.42 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.3 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.1 -22.48 66.95 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.879 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.41 -31.67 70.61 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.589 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.07 -36.65 80.18 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.621 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -61.12 -39.64 90.78 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 120.691 -0.403 . . . . 0.0 110.698 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.76 -37.17 83.28 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.571 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.21 -36.4 83.5 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.619 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.5 mmtp -65.48 -25.28 67.42 Favored 'General case' 0 C--N 1.334 -0.108 0 C-N-CA 120.978 -0.289 . . . . 0.0 110.453 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -62.17 -28.38 69.62 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.547 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.49 -18.12 37.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.056 -179.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -58.01 -19.58 32.15 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.247 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 71.6 ttp85 -61.23 -37.8 84.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.387 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -66.86 -22.75 65.98 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.633 0.254 . . . . 0.0 110.977 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.21 -23.58 65.72 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.685 -179.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.7 mt -69.55 -21.01 63.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.749 0.309 . . . . 0.0 110.321 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.977 -179.656 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.2 m . . . . . 0 N--CA 1.468 0.447 0 CA-C-O 120.791 0.329 . . . . 0.0 110.677 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.13 -36.65 84.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.781 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt 54.43 37.4 27.62 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.371 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.0 tp -62.84 -39.18 93.59 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 120.946 -0.302 . . . . 0.0 110.61 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.429 ' CG2' ' OD1' ' A' ' 9' ' ' ASP . 8.8 t -152.53 150.01 29.12 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-O 120.718 0.294 . . . . 0.0 110.853 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -82.45 -14.29 55.35 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.429 ' OD1' ' CG2' ' A' ' 7' ' ' THR . 57.0 p30 -89.07 7.04 36.99 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.528 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.99 -36.78 80.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.542 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.4 -36.14 81.4 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.611 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.9 mt -63.72 -36.12 82.82 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.511 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -63.49 -37.07 85.87 Favored 'General case' 0 N--CA 1.462 0.148 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.555 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.524 ' NH1' ' OE2' ' A' ' 26' ' ' GLU . 63.3 ttm-85 -61.46 -37.95 85.46 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 61.6 tp -62.6 -38.37 89.91 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.129 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -61.06 -37.12 81.5 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 116.73 -0.214 . . . . 0.0 110.657 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 41.8 t-20 -79.23 68.84 5.31 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.504 -179.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -64.3 -19.41 65.4 Favored 'General case' 0 C--N 1.34 0.171 0 CA-C-O 120.73 0.3 . . . . 0.0 110.911 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 91.6 mtm180 -58.7 141.3 53.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.01 0.433 . . . . 0.0 110.88 -179.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 56.1 p-80 -72.09 -8.76 56.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.897 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.15 -37.72 80.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.478 -179.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -61.92 -38.48 88.57 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.217 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.41 -37.36 83.2 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.668 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -64.02 -36.61 84.55 Favored 'General case' 0 N--CA 1.462 0.151 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.593 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.1 tp -62.19 -38.71 90.15 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.375 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.524 ' OE2' ' NH1' ' A' ' 14' ' ' ARG . 95.2 mt-10 -86.26 -16.92 36.11 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 120.837 0.351 . . . . 0.0 110.289 179.384 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.421 ' O ' ' OG ' ' A' ' 30' ' ' SER . 63.3 ttm-85 -61.51 -37.74 84.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.423 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.4 tp -62.32 -38.98 91.56 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 120.634 -0.427 . . . . 0.0 110.453 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -63.1 -36.78 84.75 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.957 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.421 ' OG ' ' O ' ' A' ' 27' ' ' ARG . 98.0 p -63.53 -21.66 66.45 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.783 0.325 . . . . 0.0 110.72 -179.745 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.48 -38.13 86.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.252 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.67 -36.39 80.72 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 121.07 -0.252 . . . . 0.0 111.065 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -94.35 21.49 7.01 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -179.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.513 ' OD1' ' ND1' ' A' ' 35' ' ' HIS . 53.3 p-10 -83.23 5.2 23.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.186 0.517 . . . . 0.0 109.899 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.513 ' ND1' ' OD1' ' A' ' 34' ' ' ASP . 80.3 m80 -98.43 23.5 8.41 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 178.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 62.04 36.26 15.51 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.973 -179.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -63.36 -38.65 91.97 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.083 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -62.71 -37.0 84.78 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 120.894 -0.323 . . . . 0.0 110.67 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.6 -36.1 81.67 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.639 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.04 -25.88 67.93 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.491 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.15 -38.07 87.6 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.436 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.91 -36.28 82.85 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.645 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -70.77 -20.11 62.64 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.689 0.28 . . . . 0.0 110.446 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.74 -24.4 66.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.491 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.6 tp -61.97 -38.81 89.95 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.356 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 . . . . . 0 CA--C 1.53 0.19 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.429 179.915 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.2 p . . . . . 0 N--CA 1.464 0.235 0 CA-C-O 120.634 0.254 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.436 ' O ' ' O ' ' A' ' 7' ' ' THR . 98.5 mt-10 -62.52 -36.16 81.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.691 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.1 -38.15 85.29 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.495 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.511 ' CD2' ' N ' ' A' ' 6' ' ' LEU . 3.2 mm? -63.01 -36.49 83.73 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.763 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.436 ' O ' ' O ' ' A' ' 4' ' ' GLU . 99.6 m -106.07 125.07 50.55 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 120.856 0.36 . . . . 0.0 110.816 -179.685 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -82.32 -19.23 39.8 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.952 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -64.43 -26.69 68.56 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.462 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.77 -26.91 68.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.421 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.48 -36.66 83.19 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.64 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.2 mt -64.11 -35.88 82.2 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.415 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -63.72 -36.47 83.97 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.504 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.07 -36.75 82.6 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.625 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.6 mt -63.19 -36.37 83.42 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.422 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -65.15 -26.6 68.25 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 120.955 -0.298 . . . . 0.0 110.584 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 54.49 39.41 31.06 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.801 -0.359 . . . . 0.0 110.562 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 55.71 34.31 23.08 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.472 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 44.02 -124.09 0.9 Allowed 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.676 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.436 ' O ' ' OE1' ' A' ' 24' ' ' GLU . 58.8 m170 57.32 28.76 15.74 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.505 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -67.02 -38.51 86.06 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.783 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -66.87 -27.0 67.16 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.817 0.341 . . . . 0.0 110.878 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.04 -37.84 80.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.985 -179.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.436 ' OE1' ' O ' ' A' ' 20' ' ' HIS . 60.5 mp0 -63.76 -36.61 84.43 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.32 179.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.3 tp -62.97 -38.66 92.02 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 120.981 -0.287 . . . . 0.0 110.513 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.61 -38.28 87.05 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.653 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -63.6 -36.98 85.61 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.659 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.7 mt -85.02 -15.05 45.44 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.821 0.343 . . . . 0.0 110.256 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.53 -38.6 88.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.569 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 91.1 p -62.03 -33.28 74.08 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 120.947 -0.301 . . . . 0.0 110.639 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -62.57 -39.29 93.19 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.296 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -79.89 -18.58 50.26 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.747 0.308 . . . . 0.0 110.949 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.4 -15.33 50.21 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.07 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -91.75 110.14 21.47 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.102 -179.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.526 ' O ' ' CG ' ' A' ' 35' ' ' HIS . 85.4 t60 52.67 28.36 6.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.386 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -156.46 7.34 0.19 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.102 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -61.36 -31.73 71.63 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.234 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt -62.76 -36.87 84.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.833 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.525 ' OE1' ' NH1' ' A' ' 42' ' ' ARG . 80.4 mm-40 -67.46 -24.59 65.63 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.759 0.314 . . . . 0.0 110.631 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.41 -20.74 65.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.466 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.44 -35.87 78.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.805 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.525 ' NH1' ' OE1' ' A' ' 39' ' ' GLU . 88.6 mtm180 -62.13 -37.03 83.6 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.468 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -63.86 -36.08 82.76 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.5 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.55 -22.04 61.13 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.128 -178.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.1 mt -66.27 -28.38 68.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.354 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 . . . . . 0 C--N 1.331 -0.226 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.548 -179.9 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.6 m . . . . . 0 N--CA 1.468 0.459 0 CA-C-O 120.555 0.216 . . . . 0.0 111.302 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.401 ' HG3' ' H ' ' A' ' 6' ' ' LEU . 24.6 pt-20 -66.24 -20.54 66.15 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.82 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt 53.67 41.26 32.12 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.079 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.401 ' H ' ' HG3' ' A' ' 4' ' ' GLU . 94.8 mt -102.34 4.47 39.05 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 120.766 0.317 . . . . 0.0 110.398 179.454 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 98.2 m -112.42 126.35 55.2 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.729 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.43 -20.78 39.66 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.419 ' O ' ' OE1' ' A' ' 13' ' ' GLN . 97.8 m-20 -65.07 -27.3 68.68 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.581 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.88 -23.98 66.64 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.56 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.62 -38.3 89.68 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.302 -179.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.2 mt -63.36 -39.16 93.78 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 120.522 -0.471 . . . . 0.0 111.151 -179.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.419 ' OE1' ' O ' ' A' ' 9' ' ' ASP . 26.0 mp0 -65.48 -36.94 85.37 Favored 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 120.694 -0.403 . . . . 0.0 110.952 179.674 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.37 -36.66 82.96 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.514 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.8 mt -64.21 -33.41 75.73 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.271 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -60.13 -38.54 83.38 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 121.024 -0.27 . . . . 0.0 110.739 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 63.4 t30 55.94 40.08 30.5 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 120.754 -0.379 . . . . 0.0 110.709 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 54.6 33.08 18.36 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 120.944 -0.303 . . . . 0.0 110.76 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 46.57 77.68 0.08 Allowed 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.586 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 34.1 p80 -66.75 -18.14 65.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.332 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -62.9 -38.1 89.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.139 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.4 -37.6 86.43 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.444 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.97 -29.82 69.9 Favored 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.406 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.88 -38.16 87.27 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.278 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 85.6 mt -64.01 -36.12 82.95 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.347 179.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -62.24 -37.31 84.9 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.634 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.437 ' O ' ' OG ' ' A' ' 30' ' ' SER . 43.5 ttm180 -61.12 -38.11 85.2 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.598 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.8 tp -62.61 -39.02 92.46 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.336 179.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.99 -38.7 89.57 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.699 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.437 ' OG ' ' O ' ' A' ' 27' ' ' ARG . 93.5 p -61.89 -33.78 74.83 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.808 0.337 . . . . 0.0 110.62 -179.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.77 -37.75 87.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.363 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.18 -21.24 66.08 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.898 -179.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.0 -34.26 73.09 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.448 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -83.87 71.3 10.48 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.862 0.363 . . . . 0.0 110.027 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 63.9 t-80 -155.09 -21.0 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.171 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 55.6 p30 -82.47 0.23 43.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.59 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -63.97 -24.88 67.89 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.602 -179.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -58.99 -17.34 24.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.108 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -59.67 -21.26 60.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.432 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.0 -26.55 68.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.379 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.7 -36.25 82.35 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.635 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -62.46 -37.08 84.53 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 120.909 -0.317 . . . . 0.0 110.649 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -68.67 -23.96 64.46 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.709 0.29 . . . . 0.0 111.017 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.11 -22.65 65.99 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.615 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.7 mt -70.55 -20.39 62.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.513 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.078 -179.406 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.8 p . . . . . 0 N--CA 1.464 0.246 0 CA-C-O 120.868 0.366 . . . . 0.0 110.524 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.37 -38.05 88.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.766 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -62.07 -37.0 83.37 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.813 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.477 ' N ' ' CD1' ' A' ' 6' ' ' LEU . 8.0 mp -63.05 -35.91 81.8 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.731 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.428 ' OG1' ' OD1' ' A' ' 9' ' ' ASP . 70.4 p -78.89 163.32 25.38 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.949 0.404 . . . . 0.0 110.785 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -85.08 -2.68 58.27 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.117 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.428 ' OD1' ' OG1' ' A' ' 7' ' ' THR . 55.4 p30 -80.1 0.35 32.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.805 0.336 . . . . 0.0 110.54 -179.667 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.61 -25.45 68.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.463 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -64.54 -25.8 68.14 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.256 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.4 mt -63.84 -36.86 85.29 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.323 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -65.5 -35.55 81.21 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.506 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 26.0 mmt85 -65.05 -24.58 67.51 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 -179.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.7 tp -61.83 -39.77 92.98 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.239 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.426 ' O ' ' OE1' ' A' ' 22' ' ' GLU . 73.1 mmtt -73.46 -21.8 60.35 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -108.5 18.98 20.34 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.292 -179.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -61.22 -22.51 64.85 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.044 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 38.2 mmt180 -72.99 138.58 46.11 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.084 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -61.94 -41.15 97.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.062 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.4 -38.31 90.65 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.551 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.426 ' OE1' ' O ' ' A' ' 16' ' ' LYS . 95.7 mt-10 -64.27 -36.62 84.69 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.791 0.329 . . . . 0.0 110.371 179.743 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.2 -37.14 81.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.639 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -64.25 -35.84 82.13 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.733 179.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.0 mt -82.54 -15.39 52.52 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.824 0.345 . . . . 0.0 110.628 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -60.97 -37.46 82.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 -57.38 -23.87 51.83 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.571 -179.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.3 tp -62.56 -39.12 92.64 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.711 -0.395 . . . . 0.0 110.381 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -63.26 -36.67 84.44 Favored 'General case' 0 N--CA 1.462 0.166 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.555 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 75.2 m -61.83 -36.85 82.37 Favored 'General case' 0 C--N 1.333 -0.152 0 C-N-CA 121.005 -0.278 . . . . 0.0 110.748 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.06 -37.91 86.79 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.463 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.43 -22.35 66.83 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.645 0.259 . . . . 0.0 110.903 -179.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.2 -33.09 71.74 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.816 -0.353 . . . . 0.0 110.501 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 35' ' ' HIS . 65.8 t0 -64.94 137.02 57.48 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.428 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.522 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 22.1 m80 67.12 1.06 2.24 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.144 -179.224 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.419 ' H ' ' C ' ' A' ' 34' ' ' ASP . 56.6 t0 -70.06 -33.79 72.37 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 178.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -68.5 -22.94 64.51 Favored 'General case' 0 N--CA 1.461 0.088 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.456 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp -66.08 -24.44 66.71 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.248 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.02 -35.12 79.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.705 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.16 -24.58 67.26 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 121.031 -0.268 . . . . 0.0 110.862 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -64.97 -25.61 67.94 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.516 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -62.78 -36.28 82.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.673 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 56.9 mtmt -66.94 -22.31 65.94 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.671 0.272 . . . . 0.0 110.922 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.76 -23.7 65.18 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.636 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.8 tp -62.0 -38.87 90.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.48 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 . . . . . 0 CA--C 1.53 0.193 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.49 179.849 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.8 p . . . . . 0 CA--C 1.529 0.146 0 CA-C-O 120.832 0.349 . . . . 0.0 110.571 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -63.67 -36.29 83.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.734 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.3 mmmt -65.23 -27.13 68.45 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.512 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.4 tp -62.44 -39.13 92.34 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.647 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 77.5 p -80.76 163.33 23.58 Favored 'General case' 0 N--CA 1.461 0.107 0 CA-C-O 120.926 0.393 . . . . 0.0 110.808 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.48 -12.38 60.03 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.459 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.27 -35.5 77.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.708 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.06 -26.04 67.36 Favored 'General case' 0 N--CA 1.463 0.195 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.645 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.92 -38.87 90.04 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.671 -0.412 . . . . 0.0 110.227 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.5 mt -65.25 -35.07 79.92 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.254 179.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -63.53 -36.24 83.14 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.655 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -60.32 -38.05 82.52 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.655 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 91.9 mt -62.78 -37.67 87.56 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.296 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -63.74 -36.48 84.0 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 120.971 -0.292 . . . . 0.0 110.291 179.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 60.7 t30 57.4 35.86 26.45 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.087 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.534 ' O ' ' CD2' ' A' ' 20' ' ' HIS . 97.4 mt-10 -93.49 -3.72 52.47 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.854 0.359 . . . . 0.0 110.401 179.139 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -64.1 -39.7 94.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.697 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.534 ' CD2' ' O ' ' A' ' 18' ' ' GLU . 87.5 m-70 61.64 12.14 4.37 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.989 -179.597 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -67.12 -37.27 83.59 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.355 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.94 -36.9 84.97 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.798 0.332 . . . . 0.0 110.413 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.1 -37.59 83.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.707 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.16 -36.67 84.81 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.653 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.3 tp -62.07 -36.39 81.51 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.578 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.5 tm-20 -58.88 -34.76 72.01 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.956 -0.298 . . . . 0.0 111.005 -179.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.424 ' O ' ' OG ' ' A' ' 30' ' ' SER . 83.4 mtt85 -61.92 -37.53 85.0 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.762 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.512 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 3.0 mm? -64.82 -34.6 78.75 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.459 179.524 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.4 ttmm -60.26 -36.76 78.54 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.66 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.424 ' OG ' ' O ' ' A' ' 27' ' ' ARG . 94.4 p -61.65 -23.31 65.97 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.686 -179.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.85 -36.74 84.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.284 179.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.55 -20.36 63.17 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.908 -179.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.78 -33.81 72.19 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.486 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.429 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 67.6 t0 -61.17 -37.2 82.06 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.41 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 64.0 t-80 -61.99 -37.67 85.72 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.469 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.429 ' O ' ' OD1' ' A' ' 36' ' ' ASP . 67.5 t0 -61.43 -37.06 82.14 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 120.829 -0.349 . . . . 0.0 110.554 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -62.08 -36.46 81.74 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 120.899 -0.32 . . . . 0.0 110.62 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -61.15 -38.45 86.47 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.454 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.15 -37.9 86.93 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.441 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.11 -36.88 80.88 Favored 'General case' 0 N--CA 1.463 0.187 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.444 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.78 -36.17 82.25 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.501 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 79.0 ttt-85 -61.26 -37.96 84.97 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.567 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -67.9 -23.35 65.09 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.693 0.282 . . . . 0.0 111.13 -179.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.17 -25.89 67.33 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.738 -179.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.4 mt -72.73 -17.97 61.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.719 0.295 . . . . 0.0 110.413 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.722 -179.594 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 30.7 m . . . . . 0 N--CA 1.472 0.648 0 N-CA-C 111.511 0.189 . . . . 0.0 111.511 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.448 ' O ' ' O ' ' A' ' 7' ' ' THR . 96.8 mt-10 -62.73 -36.63 83.6 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.904 -0.319 . . . . 0.0 110.85 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.422 ' O ' ' OD2' ' A' ' 9' ' ' ASP . 68.8 mttm -70.42 -20.22 62.93 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 121.11 -0.236 . . . . 0.0 110.999 -179.684 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 83.9 mt -93.44 1.5 56.82 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.287 -179.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.448 ' O ' ' O ' ' A' ' 4' ' ' GLU . 13.2 t -151.91 158.79 43.66 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.893 0.378 . . . . 0.0 110.806 179.795 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 55.8 31.31 17.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.483 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.422 ' OD2' ' O ' ' A' ' 5' ' ' LYS . 96.9 m-20 -75.15 -10.05 59.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.559 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.13 -26.72 67.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.127 -179.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -62.95 -26.82 69.0 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.978 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.3 mt -64.41 -35.7 81.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.373 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -66.42 -29.83 70.06 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 121.011 -0.275 . . . . 0.0 110.731 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -60.42 -38.68 84.84 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.783 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.1 mt -63.58 -36.64 84.47 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.522 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -62.75 -36.54 83.38 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.73 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 32.5 m120 -67.05 -25.9 66.49 Favored 'General case' 0 C--N 1.333 -0.129 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.71 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 54.95 38.38 30.36 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.803 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 73.1 mtp85 56.03 44.93 24.64 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.806 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 64.1 t-80 -63.84 -26.29 68.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.984 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -58.14 -31.82 67.57 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.774 -178.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -54.52 -19.81 6.56 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 120.365 -0.534 . . . . 0.0 110.616 -178.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.81 -24.93 68.0 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.399 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.56 -35.77 81.6 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.751 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.1 tp -61.3 -38.77 88.01 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.579 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.95 -37.97 86.75 Favored 'General case' 0 N--CA 1.463 0.207 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.621 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.426 ' O ' ' OG ' ' A' ' 30' ' ' SER . 78.9 ttt-85 -61.28 -37.63 83.86 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.598 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.3 tp -62.17 -39.1 91.53 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.65 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -62.87 -37.15 85.74 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.038 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.426 ' OG ' ' O ' ' A' ' 27' ' ' ARG . 98.4 p -63.43 -22.79 67.09 Favored 'General case' 0 C--N 1.333 -0.118 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.716 -179.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.65 -38.9 92.12 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.529 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.34 -37.88 87.36 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 121.157 -0.217 . . . . 0.0 111.385 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -96.92 21.8 9.18 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 120.774 0.321 . . . . 0.0 111.336 -179.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -86.36 107.88 18.2 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.448 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.525 ' O ' ' ND1' ' A' ' 35' ' ' HIS . 59.3 t-80 55.04 31.96 17.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.963 -179.719 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 53.82 35.28 21.16 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.163 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -62.59 -39.64 94.37 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.077 -179.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -61.38 -38.77 88.25 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.597 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.39 -36.6 82.81 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 120.95 -0.3 . . . . 0.0 110.996 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.99 -37.46 82.55 Favored 'General case' 0 N--CA 1.463 0.187 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.636 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.58 -35.8 81.7 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.688 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.12 -36.49 81.91 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 121.032 -0.267 . . . . 0.0 110.952 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -66.3 -22.58 66.29 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.714 0.293 . . . . 0.0 111.064 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.77 -23.83 65.29 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.423 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 98.2 mt -64.51 -33.08 75.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.377 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 . . . . . 0 CA--C 1.53 0.208 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.746 -179.72 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.3 m . . . . . 0 N--CA 1.469 0.513 0 CA-C-O 120.781 0.324 . . . . 0.0 110.609 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -63.35 -36.6 84.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.717 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -67.02 -27.15 67.17 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.692 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 86.1 mt -97.16 -0.68 46.5 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.633 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 93.8 m -117.86 128.6 55.0 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.817 0.341 . . . . 0.0 110.475 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -115.77 26.31 10.1 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.732 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 55.0 p30 -82.52 2.39 33.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.852 0.358 . . . . 0.0 110.769 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.18 -27.71 69.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.377 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.61 -36.74 83.74 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.686 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.8 mt -64.2 -36.25 83.45 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.536 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -62.69 -37.44 86.46 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.777 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 78.9 ttt-85 -61.67 -38.49 87.97 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.703 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.6 mt -63.46 -36.93 85.38 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.61 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -72.57 -17.38 61.71 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.883 0.373 . . . . 0.0 110.31 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -61.44 -35.74 78.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.564 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.18 -36.49 82.06 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.812 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -92.4 113.78 26.15 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.532 ' CE1' ' OE2' ' A' ' 21' ' ' GLU . 56.0 p-80 -81.47 -15.96 53.43 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.221 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.532 ' OE2' ' CE1' ' A' ' 20' ' ' HIS . 57.2 mp0 -64.55 -35.83 82.23 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.599 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -61.8 -38.59 88.66 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.154 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.54 -37.13 82.66 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.549 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -63.65 -36.36 83.59 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.616 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 94.7 mt -84.83 -15.59 44.27 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.802 0.334 . . . . 0.0 110.39 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.38 -37.3 82.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.045 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -58.04 -22.2 48.91 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.585 -179.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.2 tp -62.3 -38.85 90.97 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.335 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -61.19 -38.26 85.89 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.352 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.4 t -60.99 -39.09 88.32 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 120.859 -0.337 . . . . 0.0 110.649 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.43 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 97.4 mt-10 -63.43 -34.89 78.73 Favored 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.783 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.537 ' O ' ' ND1' ' A' ' 35' ' ' HIS . . . -59.46 -22.95 62.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.21 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.94 -24.06 67.58 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.44 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.43 ' OD1' ' O ' ' A' ' 31' ' ' GLU . 54.5 p30 -77.51 4.19 11.74 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.597 -179.537 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.537 ' ND1' ' O ' ' A' ' 32' ' ' ALA . 52.8 p-80 -62.58 -20.56 64.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.249 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.38 -36.39 80.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.459 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -61.15 -37.97 84.75 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.311 179.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.75 -36.76 81.94 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.552 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -61.92 -38.1 87.17 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.019 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.3 -36.17 79.38 Favored 'General case' 0 N--CA 1.462 0.138 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.506 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.16 -36.73 82.74 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.644 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -61.8 -38.21 87.26 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.436 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt -68.04 -22.71 64.95 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.637 0.256 . . . . 0.0 111.016 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.75 -25.89 66.81 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.856 -0.337 . . . . 0.0 110.705 -179.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.8 tp -62.16 -39.43 92.62 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.328 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 . . . . . 0 C--O 1.232 0.155 0 C-N-CA 121.027 -0.269 . . . . 0.0 110.872 179.875 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.471 ' C ' ' H ' ' A' ' 5' ' ' LYS . 35.0 m . . . . . 0 CA--C 1.545 0.76 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 76.5 -26.87 0.18 Allowed 'General case' 0 C--N 1.35 0.607 0 CA-C-N 118.482 0.583 . . . . 0.0 110.731 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.471 ' H ' ' C ' ' A' ' 3' ' ' VAL . 48.1 mmtm -102.2 2.49 37.28 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.376 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 85.9 mt -96.24 2.92 53.34 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.553 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.414 ' CG2' ' OD1' ' A' ' 9' ' ' ASP . 9.0 t -150.53 148.91 29.26 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.868 0.366 . . . . 0.0 110.824 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -89.43 -7.12 55.79 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.861 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.414 ' OD1' ' CG2' ' A' ' 7' ' ' THR . 55.6 p30 -84.88 4.75 31.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.565 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.35 -36.92 81.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.01 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -62.42 -27.69 69.27 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.957 -179.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.6 mt -67.28 -33.45 75.33 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.844 -0.343 . . . . 0.0 110.306 179.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -61.76 -36.48 81.14 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.77 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.445 ' O ' ' OD1' ' A' ' 17' ' ' ASN . 60.0 ttt85 -59.98 -38.3 82.14 Favored 'General case' 0 N--CA 1.463 0.209 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.382 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.6 mt -64.15 -36.01 82.66 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.521 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -62.99 -37.93 89.11 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -179.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.445 ' OD1' ' O ' ' A' ' 14' ' ' ARG . 55.0 p30 -98.84 14.32 29.32 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.64 0.257 . . . . 0.0 111.395 -179.174 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.52 -37.87 85.28 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.417 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 90.7 mtm180 -68.14 146.1 53.75 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.783 0.325 . . . . 0.0 110.342 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -134.24 148.2 50.8 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.022 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -64.52 -36.03 82.9 Favored 'General case' 0 C--N 1.345 0.397 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.634 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -64.29 -36.02 82.75 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.528 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.22 -23.65 67.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.16 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -64.0 -36.79 85.14 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.583 -179.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.7 pp -64.91 -24.31 67.49 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.461 -179.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.68 -37.13 82.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.281 -0.418 . . . . 0.0 109.928 179.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -62.08 -38.17 87.81 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.738 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.8 tp -62.02 -39.46 92.35 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.508 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -63.5 -36.82 85.02 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.538 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 75.4 m -62.18 -36.82 83.05 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 121.026 -0.27 . . . . 0.0 110.829 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -61.88 -37.91 86.34 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.435 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.4 -22.12 66.69 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.655 0.264 . . . . 0.0 110.899 -179.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.48 -31.95 70.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.661 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 54.76 40.33 31.87 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.473 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 77.2 m80 55.12 36.77 27.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.227 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 53.9 35.46 21.84 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.306 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -62.37 -39.61 93.72 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 120.904 -0.319 . . . . 0.0 111.016 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -62.42 -36.78 83.45 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.984 -179.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.68 -35.96 81.36 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.798 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.77 -27.55 68.82 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.791 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -66.04 -27.11 67.85 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.566 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 46.3 mmm-85 -62.71 -36.24 82.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.364 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -67.1 -22.43 65.82 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.643 0.259 . . . . 0.0 111.034 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.04 -23.74 65.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.6 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.8 mt -65.99 -29.56 69.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.349 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 . . . . . 0 CA--C 1.531 0.222 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.561 -179.916 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.1 t . . . . . 0 N--CA 1.465 0.314 0 CA-C-O 121.008 0.432 . . . . 0.0 110.356 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.69 -38.39 90.21 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.598 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.74 -36.89 84.48 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.615 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.517 ' CD2' ' N ' ' A' ' 6' ' ' LEU . 3.2 mm? -63.69 -36.72 84.77 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.6 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.0 m -61.74 137.91 58.28 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.13 5.03 4.75 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 -179.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 54.0 p-10 -82.21 3.53 26.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.657 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.32 -27.1 68.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.471 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.32 -36.46 82.24 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.481 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.3 mt -64.56 -35.13 79.99 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.317 179.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -65.86 -29.91 70.44 Favored 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 120.99 -0.284 . . . . 0.0 110.573 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -61.98 -36.79 82.52 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.743 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.3 mt -62.97 -36.67 84.25 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.43 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -63.08 -36.29 83.08 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 121.18 -0.208 . . . . 0.0 110.721 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -99.31 16.03 24.32 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 111.577 0.214 . . . . 0.0 111.577 -178.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -59.52 -18.73 42.75 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.449 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -62.12 -22.18 65.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.47 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -61.21 -38.96 88.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.574 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.81 -37.91 86.16 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.459 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.93 -37.98 86.74 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.495 179.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.59 -26.81 68.79 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.514 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.17 -37.99 87.37 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.428 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.461 ' CD1' ' N ' ' A' ' 25' ' ' LEU . 7.9 mp -62.17 -36.71 82.7 Favored 'General case' 0 C--O 1.232 0.145 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.484 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.16 -38.13 87.85 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.309 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.4 tpt180 -60.8 -38.78 86.52 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.397 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.1 mt -63.78 -36.16 82.97 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.211 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.28 -38.31 86.29 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.417 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 74.3 m -61.55 -37.43 83.75 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.672 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -62.48 -37.79 87.36 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.046 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.45 -22.56 66.3 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.717 -179.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.36 -27.77 68.75 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.049 -179.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.425 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 67.1 t0 -60.93 -38.07 84.51 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.586 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -70.37 -29.72 66.46 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.631 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -62.25 -33.68 75.08 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.442 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -59.89 -39.08 84.15 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.441 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.89 -36.96 85.06 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.461 179.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -67.47 -27.9 67.41 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.69 0.281 . . . . 0.0 110.671 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -82.91 -17.88 42.13 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.983 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.24 -40.32 97.1 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 120.774 -0.37 . . . . 0.0 111.563 -179.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.8 ptm180 -71.38 -26.65 62.88 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.961 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -70.76 -21.22 62.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.032 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.46 -26.1 66.52 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.426 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.9 tp -62.47 -39.02 92.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.423 179.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 . . . . . 0 CA--C 1.53 0.19 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.288 179.94 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 54.1 t . . . . . 0 CA--C 1.532 0.251 0 N-CA-C 110.488 -0.189 . . . . 0.0 110.488 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 53.5 33.12 15.43 Favored 'General case' 0 N--CA 1.463 0.195 0 C-N-CA 120.876 -0.329 . . . . 0.0 110.483 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 68.4 mttm 54.31 37.86 28.29 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.699 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.465 ' C ' ' H ' ' A' ' 8' ' ' ALA . 71.6 mt 59.0 28.69 18.03 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.691 0.281 . . . . 0.0 110.275 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' A' ' 6' ' ' LEU . 5.9 p 59.35 5.01 0.54 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.522 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.465 ' H ' ' C ' ' A' ' 6' ' ' LEU . . . -63.26 -24.2 67.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.367 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 56.9 p30 -88.26 7.98 29.54 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.459 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.81 -34.53 74.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.633 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -62.21 -34.64 76.85 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 120.924 -0.311 . . . . 0.0 110.714 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.6 mt -63.13 -35.53 80.58 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 120.946 -0.302 . . . . 0.0 110.627 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -61.06 -36.88 80.78 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.826 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.426 ' O ' ' OD1' ' A' ' 17' ' ' ASN . 83.8 mtt85 -62.55 -35.96 81.1 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.773 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.1 mt -68.82 -21.85 64.28 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.562 0.22 . . . . 0.0 111.103 -179.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -63.4 -24.8 68.0 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 121.073 -0.251 . . . . 0.0 110.842 -179.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.426 ' OD1' ' O ' ' A' ' 14' ' ' ARG . 55.2 p30 -84.86 -3.4 58.65 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 111.849 0.315 . . . . 0.0 111.849 -179.172 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 42.46 29.68 0.17 Allowed 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.992 0.425 . . . . 0.0 110.394 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.543 ' O ' ' CG ' ' A' ' 20' ' ' HIS . 91.3 mtm180 53.92 41.34 32.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.46 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.543 ' CG ' ' O ' ' A' ' 19' ' ' ARG . 32.3 p80 41.83 19.13 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.73 179.558 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 19' ' ' ARG . 95.7 mt-10 -65.06 -38.82 92.06 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 120.488 -0.485 . . . . 0.0 111.335 179.563 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.54 -38.2 89.07 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.51 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.22 -37.43 82.99 Favored 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.629 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -64.39 -36.51 84.39 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.357 179.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.4 tp -62.79 -38.79 92.03 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 121.04 -0.264 . . . . 0.0 110.444 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.74 -38.44 87.95 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.642 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.42 ' O ' ' OG ' ' A' ' 30' ' ' SER . 59.0 ttp180 -61.73 -38.12 86.74 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 120.656 -0.418 . . . . 0.0 110.482 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.7 mt -64.38 -35.7 81.74 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.513 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -60.85 -38.14 84.5 Favored 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 120.919 -0.312 . . . . 0.0 110.79 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.42 ' OG ' ' O ' ' A' ' 27' ' ' ARG . 91.8 p -61.21 -31.95 71.72 Favored 'General case' 0 C--N 1.334 -0.072 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.646 -179.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.79 -37.35 86.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.374 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.96 -22.1 65.35 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.739 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.14 -25.49 67.77 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.452 -179.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.517 ' OD1' ' CD2' ' A' ' 35' ' ' HIS . 57.6 p30 -65.54 -14.66 61.54 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.93 -179.486 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.517 ' CD2' ' OD1' ' A' ' 34' ' ' ASP . 99.1 m-70 -99.42 5.4 46.32 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.995 0.426 . . . . 0.0 110.06 179.158 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -62.69 -35.51 79.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.196 179.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -61.49 -36.44 80.46 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.504 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -62.26 -36.56 82.42 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.615 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.36 -37.38 85.47 Favored 'General case' 0 N--CA 1.463 0.195 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.536 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.54 -35.86 77.03 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.585 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -65.01 -17.21 64.25 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.86 0.362 . . . . 0.0 110.79 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 73.3 ttp85 -58.5 -34.27 70.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.071 -179.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -57.66 -19.46 26.87 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.712 0.292 . . . . 0.0 110.836 -179.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.26 -22.41 63.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.552 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.47 -27.36 67.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.279 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 . . . . . 0 C--N 1.331 -0.223 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.59 -179.922 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 55.8 t . . . . . 0 CA--C 1.533 0.309 0 CA-C-O 120.232 0.063 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.436 ' O ' ' O ' ' A' ' 7' ' ' THR . 24.7 pt-20 -72.9 -18.61 61.39 Favored 'General case' 0 C--N 1.334 -0.071 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.873 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -61.91 -38.52 88.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.523 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.2 tp -63.1 -38.94 93.19 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.9 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.436 ' O ' ' O ' ' A' ' 4' ' ' GLU . 99.5 m -107.92 125.89 52.03 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 120.88 0.371 . . . . 0.0 111.024 -179.491 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -82.4 -18.94 40.2 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.039 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -64.5 -25.57 68.05 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.513 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.29 -28.66 69.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.435 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -62.85 -36.13 82.23 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.704 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.5 mt -64.5 -34.78 79.01 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.28 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -63.5 -35.71 81.37 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.815 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -59.96 -37.1 78.6 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.811 -0.355 . . . . 0.0 110.381 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.7 mt -62.01 -36.56 81.91 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.404 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -65.96 -24.26 66.77 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.798 0.332 . . . . 0.0 110.306 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.516 ' ND2' ' OE2' ' A' ' 21' ' ' GLU . 62.3 t30 57.65 39.05 27.8 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.682 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.7 -37.67 87.38 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.329 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 85.1 mtp180 -71.68 154.75 41.15 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.843 0.354 . . . . 0.0 111.042 -179.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 72.3 m80 60.32 29.86 19.35 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.288 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.516 ' OE2' ' ND2' ' A' ' 17' ' ' ASN . 80.8 mm-40 -103.67 -24.19 13.39 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.648 0.261 . . . . 0.0 110.952 179.458 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.98 -37.92 89.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.632 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.7 -37.09 80.48 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.576 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -63.76 -36.46 83.95 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.409 179.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.0 mt -82.5 -16.19 49.65 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.796 0.332 . . . . 0.0 110.405 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.68 -38.34 87.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.702 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 78.9 ttt-85 -61.28 -38.31 86.3 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.261 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 87.6 mt -65.53 -35.13 79.96 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.5 179.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -84.42 -14.96 47.89 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.712 0.291 . . . . 0.0 110.599 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 75.7 m -61.68 -36.38 80.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.519 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -61.95 -36.65 82.04 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.343 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.27 -20.99 63.5 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.996 -179.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.84 -33.33 71.64 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.467 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.428 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 66.8 t0 -61.29 -35.22 76.74 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 121.052 -0.259 . . . . 0.0 110.678 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -87.49 -1.35 57.87 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.666 0.269 . . . . 0.0 110.794 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.434 ' O ' ' OD1' ' A' ' 36' ' ' ASP . 67.9 t0 -61.48 -36.84 81.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.536 179.652 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -61.96 -35.85 79.67 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 121.01 -0.276 . . . . 0.0 110.772 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -60.63 -37.65 82.16 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.398 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -63.54 -21.38 66.31 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.785 0.326 . . . . 0.0 110.832 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.15 -19.47 53.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.895 -179.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -57.8 -15.92 9.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.882 0.372 . . . . 0.0 110.617 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -57.24 -29.95 64.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.098 -179.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -58.05 -19.53 32.35 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.922 -179.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.27 -22.51 63.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.59 -179.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.5 mt -65.94 -28.03 68.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.238 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 . . . . . 0 CA--C 1.53 0.174 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.582 -179.99 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.5 m . . . . . 0 N--CA 1.469 0.496 0 CA-C-O 120.76 0.314 . . . . 0.0 110.74 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -62.6 -38.54 90.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.142 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -62.95 -36.69 84.3 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.641 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.549 ' O ' ' N ' ' A' ' 8' ' ' ALA . 59.9 tp -63.12 -39.37 94.49 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.811 -179.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.48 ' OG1' ' N ' ' A' ' 8' ' ' ALA . 36.4 p 54.67 -79.0 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 120.646 0.26 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.549 ' N ' ' O ' ' A' ' 6' ' ' LEU . . . 54.71 31.99 16.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.65 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 56.9 p30 -86.53 3.03 45.91 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.636 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.9 -37.49 84.8 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.094 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -65.4 -25.83 67.72 Favored 'General case' 0 C--O 1.231 0.13 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.184 -179.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.3 mt -65.19 -36.65 84.87 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.554 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -63.15 -36.66 84.35 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.911 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 63.3 ttm-85 -61.04 -37.74 83.67 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.814 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.6 tp -61.62 -39.32 90.85 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.559 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -71.65 -21.16 61.86 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-O 120.803 0.335 . . . . 0.0 110.298 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -61.69 -35.7 78.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.71 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.03 -35.76 79.53 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 120.966 -0.293 . . . . 0.0 110.665 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.52 ' NH1' ' OE1' ' A' ' 21' ' ' GLU . 60.6 ttt85 -86.77 108.02 18.52 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.84 0.352 . . . . 0.0 110.394 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 56.1 p-80 -82.71 -13.56 56.16 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.538 179.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.52 ' OE1' ' NH1' ' A' ' 19' ' ' ARG . 97.5 mt-10 -65.72 -35.14 79.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.756 179.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.4 -37.42 83.39 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.436 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.58 -36.62 78.95 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 120.699 -0.401 . . . . 0.0 110.495 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -63.34 -36.26 83.11 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.424 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.7 tp -61.3 -37.23 82.46 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 120.992 -0.283 . . . . 0.0 110.443 179.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -59.55 -35.48 74.3 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 121.075 -0.25 . . . . 0.0 110.588 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.8 tpp85 -59.15 -38.75 80.44 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.207 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.44 ' N ' ' CD1' ' A' ' 28' ' ' LEU . 8.2 mp -63.02 -36.37 83.34 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.615 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -60.69 -38.39 84.82 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.315 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 75.7 m -61.89 -36.97 82.86 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.826 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -61.54 -37.72 84.8 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.174 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.32 -22.73 66.29 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.926 -179.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.73 -29.28 69.27 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.797 -179.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.16 -36.22 79.21 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.454 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -60.95 -39.24 88.75 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.732 179.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.417 ' O ' ' OD1' ' A' ' 36' ' ' ASP . 67.9 t0 -61.14 -36.94 81.11 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.59 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -62.08 -36.42 81.6 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.583 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -64.6 -28.14 69.42 Favored 'General case' 0 N--CA 1.461 0.119 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.533 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.36 -38.01 87.91 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.381 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.44 -26.51 68.55 Favored 'General case' 0 N--CA 1.462 0.173 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.58 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.12 -38.09 87.63 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.406 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -62.81 -36.48 83.31 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.693 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 29.8 mmtp -69.01 -21.65 64.12 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.743 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.23 -23.76 65.86 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.389 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.2 tp -62.29 -38.95 91.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.441 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 CA--C 1.53 0.187 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.493 -179.953 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.7 m . . . . . 0 N--CA 1.468 0.446 0 CA-C-O 120.755 0.312 . . . . 0.0 110.629 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.73 -38.46 90.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.527 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -70.49 -22.97 62.6 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.616 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 85.0 mt -94.56 -3.59 49.46 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.556 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 98.7 m -63.09 -43.12 99.38 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.705 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.39 26.45 1.95 Allowed 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.971 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 53.2 p-10 -80.36 1.17 29.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.755 0.312 . . . . 0.0 110.563 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.34 -26.67 68.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.504 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.77 -36.1 81.98 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.544 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 91.7 mt -68.83 -25.22 64.56 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-O 120.737 0.303 . . . . 0.0 110.377 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -61.26 -36.89 81.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.634 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 92.0 mtm180 -62.53 -36.18 81.76 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.666 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.2 tp -61.91 -39.05 90.68 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.391 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -62.41 -36.97 84.01 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.658 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.46 -36.91 83.93 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.666 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.95 -36.41 83.36 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.671 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 76.7 mtp85 -69.9 144.76 52.36 Favored 'General case' 0 C--O 1.231 0.126 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.491 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 61.9 m170 56.29 32.35 20.25 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.626 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -64.94 -40.4 94.97 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 120.741 -0.384 . . . . 0.0 111.407 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.4 pm0 -65.26 -19.21 65.86 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-O 120.719 0.295 . . . . 0.0 111.069 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.55 -27.77 68.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.541 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.1 -38.77 90.15 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.332 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 87.1 mt -65.25 -35.82 82.21 Favored 'General case' 0 CA--C 1.528 0.114 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.338 179.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.38 -37.81 87.16 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.574 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.417 ' O ' ' OG ' ' A' ' 30' ' ' SER . 44.2 mmm-85 -62.72 -37.22 85.66 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 120.724 -0.391 . . . . 0.0 110.608 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.0 mt -64.33 -38.0 89.49 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.593 179.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -64.86 -36.71 85.24 Favored 'General case' 0 C--O 1.233 0.191 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.778 179.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.417 ' OG ' ' O ' ' A' ' 27' ' ' ARG . 97.0 p -63.44 -23.3 67.34 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.74 0.305 . . . . 0.0 110.678 -179.72 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -62.96 -37.88 88.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.165 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.1 -22.27 66.75 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.051 -179.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.444 ' O ' ' OD1' ' A' ' 36' ' ' ASP . . . -60.17 -35.85 76.27 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.566 -0.454 . . . . 0.0 110.413 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.427 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 59.7 t0 -70.82 -29.48 65.65 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.647 179.66 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -93.92 1.54 56.31 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.53 -179.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.444 ' OD1' ' O ' ' A' ' 33' ' ' ALA . 51.0 p30 -81.22 -1.82 46.32 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.516 -0.473 . . . . 0.0 110.286 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -62.49 -29.21 70.38 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -61.57 -38.13 86.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.266 179.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.22 -35.76 79.88 Favored 'General case' 0 C--N 1.333 -0.132 0 C-N-CA 120.931 -0.308 . . . . 0.0 110.625 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.47 -26.63 68.02 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.407 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.46 -37.79 87.3 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.32 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -61.32 -38.61 87.47 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.551 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -70.41 -22.91 62.68 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.625 0.25 . . . . 0.0 111.003 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.07 -27.7 68.54 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.673 -179.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.496 ' N ' ' CD1' ' A' ' 45' ' ' LEU . 7.7 mp -62.76 -36.75 84.07 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.539 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 CA--C 1.53 0.189 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.685 179.953 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 54.3 t . . . . . 0 CA--C 1.534 0.328 0 CA-C-O 120.277 0.084 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.79 -39.29 93.79 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.722 -178.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.552 ' C ' ' H ' ' A' ' 7' ' ' THR . 16.8 ptpt -84.08 -34.81 24.11 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.702 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.1 tp 51.27 5.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.054 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.552 ' H ' ' C ' ' A' ' 5' ' ' LYS . 81.9 p -134.82 159.29 41.85 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.842 0.353 . . . . 0.0 110.722 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -91.29 -0.68 57.71 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.456 179.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -62.09 -29.64 70.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.923 -179.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.62 -36.6 79.01 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.641 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.76 -36.57 83.5 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.524 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.8 mt -67.9 -28.51 67.57 Favored 'General case' 0 N--CA 1.463 0.195 0 C-N-CA 120.951 -0.3 . . . . 0.0 110.477 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -61.54 -36.84 81.71 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.592 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -60.98 -38.07 84.67 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.741 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.476 ' CD1' ' N ' ' A' ' 15' ' ' LEU . 7.9 mp -62.28 -37.12 84.29 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.771 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.23 -37.17 84.35 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.478 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.85 -36.32 82.87 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.459 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -68.73 157.04 37.15 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.8 ptm180 -149.75 170.55 18.47 Favored 'General case' 0 C--N 1.344 0.352 0 CA-C-N 118.171 0.441 . . . . 0.0 110.648 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.52 ' CE1' ' CB ' ' A' ' 23' ' ' ALA . 37.6 t-80 71.88 15.51 5.72 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.172 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -70.17 -35.89 74.3 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.778 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.61 -28.43 69.89 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.915 0.388 . . . . 0.0 110.556 -179.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.52 ' CB ' ' CE1' ' A' ' 20' ' ' HIS . . . -61.24 -23.01 65.33 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.453 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -62.54 -37.09 84.75 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.557 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 86.7 mt -64.23 -36.1 82.98 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.118 179.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -66.4 -35.28 79.91 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.41 178.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 -65.66 -27.33 68.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.424 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 61.1 tp -61.25 -39.18 89.37 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.315 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -63.34 -36.8 84.9 Favored 'General case' 0 N--CA 1.462 0.133 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.554 179.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 75.2 m -61.84 -36.36 80.97 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.989 -0.284 . . . . 0.0 110.671 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -61.38 -36.94 81.63 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.483 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.69 -21.47 64.48 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.959 -179.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.407 ' O ' ' CG ' ' A' ' 36' ' ' ASP . . . -59.89 -33.86 72.4 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.539 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.437 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 58.0 t0 -62.57 -23.75 67.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.806 0.336 . . . . 0.0 110.385 179.709 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 63.1 m170 -84.98 1.15 48.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.385 -179.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.407 ' CG ' ' O ' ' A' ' 33' ' ' ALA . 48.9 p-10 -79.45 -0.55 33.52 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 120.506 -0.477 . . . . 0.0 110.261 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -62.44 -28.42 69.79 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.936 -179.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.32 -35.93 80.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.575 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.13 -35.38 78.58 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 120.932 -0.307 . . . . 0.0 110.672 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.5 -25.99 67.62 Favored 'General case' 0 N--CA 1.462 0.159 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.572 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -62.13 -38.03 87.4 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.14 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -61.3 -37.71 84.22 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.414 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt -66.56 -23.01 66.15 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 120.664 0.268 . . . . 0.0 111.124 -179.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.22 -23.19 65.44 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.6 -179.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.4 mt -62.98 -36.43 83.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.454 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 . . . . . 0 CA--C 1.53 0.206 0 C-N-CA 120.751 -0.379 . . . . 0.0 110.407 179.85 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.284 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.0 m 55.54 29.4 13.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.666 0.269 . . . . 0.0 110.691 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 53.3 t -65.01 -40.99 90.91 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.694 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -67.26 -28.2 67.83 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 120.852 -0.339 . . . . 0.0 111.026 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -70.41 -24.89 63.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.721 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.42 ' O ' ' OG1' ' A' ' 7' ' ' THR . 84.9 mt -94.56 -3.94 48.83 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.522 179.611 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 6' ' ' LEU . 6.2 p 57.47 15.58 2.81 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.542 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.44 -23.26 67.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.646 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 55.4 p30 -84.21 3.69 34.06 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.88 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.14 -37.68 83.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.643 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -64.29 -35.51 81.08 Favored 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 120.916 -0.314 . . . . 0.0 110.526 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.7 mt -63.97 -35.23 80.0 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.737 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -62.8 -37.35 86.37 Favored 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.822 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -61.57 -38.4 87.38 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.442 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.7 mt -63.64 -35.44 80.52 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 121.065 -0.254 . . . . 0.0 110.428 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.68 -36.48 80.98 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.649 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -61.83 -36.63 81.75 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.46 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -63.22 -35.7 81.19 Favored 'General case' 0 CA--C 1.528 0.106 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.627 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -65.7 144.13 57.1 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.875 0.369 . . . . 0.0 110.472 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.603 ' ND1' ' N ' ' A' ' 21' ' ' GLU . 62.9 t-80 -159.37 174.26 15.0 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.07 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.603 ' N ' ' ND1' ' A' ' 20' ' ' HIS . 97.4 mt-10 -62.75 -36.86 84.42 Favored 'General case' 0 C--N 1.34 0.159 0 C-N-CA 120.266 -0.574 . . . . 0.0 110.036 179.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.18 -37.66 88.09 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.14 179.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.24 -37.34 82.72 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 120.681 -0.407 . . . . 0.0 110.675 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -63.81 -37.0 85.75 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.595 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.3 mt -80.95 -16.88 52.28 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.744 0.307 . . . . 0.0 110.371 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.42 -38.28 89.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.568 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.444 ' O ' ' OG ' ' A' ' 30' ' ' SER . 59.2 ttt85 -61.67 -38.05 86.33 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.61 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.51 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 3.2 mm? -63.51 -37.17 86.27 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.508 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -85.67 -15.45 42.32 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 121.016 -0.274 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.444 ' OG ' ' O ' ' A' ' 27' ' ' ARG . 87.2 p -66.32 -20.81 66.19 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.579 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.419 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 88.5 tt0 -62.14 -39.2 91.77 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.432 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -81.5 -20.62 39.74 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.738 0.304 . . . . 0.0 110.819 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -91.44 -4.13 55.93 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.402 -179.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' A' ' 31' ' ' GLU . 55.1 p30 -80.93 1.08 32.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.021 -179.582 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -98.95 4.2 47.24 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.905 0.383 . . . . 0.0 110.278 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -62.37 -36.66 82.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.578 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.1 ttmm -61.64 -38.57 88.15 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.419 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.8 mmmt -62.38 -36.67 83.0 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.552 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -65.23 -29.37 70.16 Favored 'General case' 0 C--N 1.333 -0.131 0 C-N-CA 120.931 -0.308 . . . . 0.0 110.484 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.95 -24.77 68.04 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.362 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.17 -37.79 86.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.576 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 59.9 ttp180 -61.37 -38.08 85.71 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.638 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -67.61 -23.32 65.36 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.688 0.28 . . . . 0.0 111.154 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.61 -23.44 66.03 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.772 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.7 mt -66.11 -28.72 69.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.378 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.27 -36.33 81.72 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.608 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.52 -36.71 81.31 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.606 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.2 tttm 48.86 32.67 3.87 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.81 0.338 . . . . 0.0 110.271 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 71.6 mt 55.93 29.27 13.93 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.424 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.75 -30.13 70.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.585 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.424 ' O ' ' O ' ' A' ' 52' ' ' TYR . 55.5 p30 -83.65 2.29 38.25 Favored 'General case' 0 C--N 1.334 -0.071 0 CA-C-O 120.723 0.297 . . . . 0.0 110.779 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.424 ' O ' ' O ' ' A' ' 51' ' ' ASP . 89.5 t80 . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.48 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.266 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.9 m 55.07 35.48 24.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.604 0.24 . . . . 0.0 110.579 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.572 ' C ' ' H ' ' A' ' 5' ' ' LYS . 9.8 p -57.0 -37.96 57.5 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.533 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 76.8 tt0 60.46 -5.7 0.1 Allowed 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.081 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.572 ' H ' ' C ' ' A' ' 3' ' ' VAL . 73.1 mmtt 56.33 36.41 27.46 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.1 tp -62.93 -39.09 93.51 Favored 'General case' 0 N--CA 1.463 0.195 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.447 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.5 m 51.42 55.38 9.52 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.821 0.343 . . . . 0.0 110.543 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.07 -26.23 68.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.427 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.426 ' OD1' ' O ' ' A' ' 9' ' ' ASP . 67.3 t0 -61.74 -36.66 81.64 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.674 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.59 -37.01 79.94 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 120.821 -0.351 . . . . 0.0 110.641 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.22 -38.5 89.42 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.402 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.4 mt -64.93 -34.98 79.71 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.503 179.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -66.01 -28.31 68.78 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.679 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -62.06 -36.55 81.97 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.712 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.506 ' CD2' ' N ' ' A' ' 15' ' ' LEU . 3.2 mm? -63.19 -36.12 82.57 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.23 179.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -65.79 -22.04 66.54 Favored 'General case' 0 C--N 1.333 -0.131 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 54.65 40.07 31.65 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.793 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.519 ' OE1' ' NE2' ' A' ' 20' ' ' HIS . 98.0 mt-10 -62.3 -36.45 82.15 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.622 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 55.37 51.67 12.6 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.046 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.519 ' NE2' ' OE1' ' A' ' 18' ' ' GLU . 92.2 m-70 -66.46 -26.1 67.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.393 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -62.86 -36.88 84.73 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.818 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.426 ' O ' ' OE1' ' A' ' 26' ' ' GLU . 98.6 mt-10 -63.55 -36.85 85.16 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.001 179.521 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.38 -36.06 79.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.655 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -64.77 -28.66 69.73 Favored 'General case' 0 N--CA 1.462 0.166 0 C-N-CA 121.117 -0.233 . . . . 0.0 111.135 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.1 tp -60.68 -39.76 89.64 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.505 -179.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.426 ' OE1' ' O ' ' A' ' 22' ' ' GLU . 60.0 mp0 -64.03 -35.35 80.45 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.274 179.503 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -63.52 -35.71 81.38 Favored 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.797 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.2 tp -60.9 -39.61 89.97 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.634 -0.427 . . . . 0.0 110.464 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.0 mtmm -63.15 -36.31 83.19 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.28 179.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 74.5 m -61.71 -36.53 81.19 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.663 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -61.55 -37.61 84.43 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.119 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.19 -21.06 64.8 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.72 0.295 . . . . 0.0 110.761 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.11 -32.55 71.1 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.57 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -61.0 -36.95 80.82 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.472 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 74.5 m80 -65.57 -34.77 79.02 Favored 'General case' 0 C--N 1.333 -0.113 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.299 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -63.14 -26.06 68.64 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.712 0.291 . . . . 0.0 110.524 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -60.57 -38.47 84.68 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.505 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -62.5 -36.17 81.68 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.254 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -62.46 -27.89 69.43 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.771 0.319 . . . . 0.0 110.672 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.98 -18.28 32.56 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.118 -179.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -58.08 -20.23 38.09 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.206 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -62.95 -35.81 81.37 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.59 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -65.79 -22.18 66.55 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.744 0.307 . . . . 0.0 110.969 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.73 -23.62 65.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.63 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.5 tp -62.0 -38.95 90.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.332 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.5 -36.12 81.54 Favored 'General case' 0 C--O 1.233 0.193 0 C-N-CA 120.952 -0.299 . . . . 0.0 110.625 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.2 -36.9 81.16 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.601 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -61.09 -39.15 88.84 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.25 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 93.1 mt -63.63 -35.85 81.89 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 120.806 -0.357 . . . . 0.0 110.404 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 62.37 29.65 17.27 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.735 0.303 . . . . 0.0 110.532 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 56.5 p30 -88.09 4.47 45.23 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.487 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.412 ' CD2' ' OXT' ' A' ' 52' ' ' TYR . 92.4 t80 . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.532 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.3 0 N-CA-C 109.598 -1.401 . . . . 0.0 109.598 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.5 m 55.24 34.45 22.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.652 0.263 . . . . 0.0 110.576 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 53.4 t -63.56 -40.19 88.12 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.389 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.83 -36.65 83.89 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.711 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -68.59 -23.41 64.47 Favored 'General case' 0 C--O 1.232 0.165 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.9 tp 44.23 28.07 0.26 Allowed 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.411 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.481 ' CG2' ' OD1' ' A' ' 9' ' ' ASP . 95.9 m -115.35 126.79 54.86 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.416 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -112.86 -3.15 14.19 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.183 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.481 ' OD1' ' CG2' ' A' ' 7' ' ' THR . 55.0 p30 -86.09 4.14 39.45 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.809 0.338 . . . . 0.0 110.808 -179.578 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.39 -25.54 67.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.594 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -63.57 -36.4 83.66 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.672 -179.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.1 mt -63.39 -38.21 90.25 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.626 -178.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.435 ' OE1' ' O ' ' A' ' 9' ' ' ASP . 25.4 mp0 -64.02 -37.25 86.74 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.42 -179.69 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.462 ' NH2' ' CD ' ' A' ' 26' ' ' GLU . 78.0 mtm180 -62.56 -36.47 82.77 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 120.449 -0.5 . . . . 0.0 110.625 -179.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.6 tp -62.01 -38.84 90.16 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 120.726 -0.389 . . . . 0.0 110.392 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -64.98 -26.14 68.16 Favored 'General case' 0 C--O 1.231 0.117 0 C-N-CA 120.834 -0.347 . . . . 0.0 110.611 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 54.43 39.58 31.13 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.41 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.98 -38.3 88.05 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.765 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 90.6 mtm180 -121.71 129.69 52.91 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.867 0.365 . . . . 0.0 110.624 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -69.58 -35.61 75.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.21 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 23.4 pm0 -67.05 -20.54 65.85 Favored 'General case' 0 C--O 1.232 0.136 0 C-N-CA 120.936 -0.305 . . . . 0.0 111.603 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.83 -38.34 87.8 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.445 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.47 -36.49 80.58 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.6 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -63.38 -36.0 82.25 Favored 'General case' 0 N--CA 1.462 0.167 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.811 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 90.2 mt -68.02 -25.13 65.23 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 120.971 -0.292 . . . . 0.0 110.629 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.462 ' CD ' ' NH2' ' A' ' 14' ' ' ARG . 88.5 tt0 -60.81 -37.85 83.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.775 -179.504 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.426 ' O ' ' OG ' ' A' ' 30' ' ' SER . 91.5 mtm180 -63.22 -36.77 84.76 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.697 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.512 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 3.2 mm? -63.19 -36.62 84.25 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.544 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.19 -38.77 87.73 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.661 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.426 ' OG ' ' O ' ' A' ' 27' ' ' ARG . 94.4 p -62.23 -30.22 70.94 Favored 'General case' 0 C--N 1.334 -0.068 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.633 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -62.84 -39.49 94.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.807 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.63 -36.67 81.41 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.059 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -95.32 22.33 6.99 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 111.604 0.224 . . . . 0.0 111.604 -179.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 53.6 p-10 -81.68 2.66 28.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.784 0.326 . . . . 0.0 110.467 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -98.09 6.29 47.73 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.98 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 56.0 p30 -85.88 3.13 43.14 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.342 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.11 -36.51 81.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.72 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -61.14 -38.26 85.79 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.353 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.43 -35.63 79.85 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.526 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.72 -26.69 68.21 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.481 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -62.13 -38.02 87.35 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 -62.17 -36.59 82.34 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.301 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -62.83 -36.82 84.45 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.621 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.39 -21.61 60.16 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.2 -178.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.4 mt -65.28 -29.7 70.49 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.27 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -62.13 -37.86 86.75 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.235 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.08 -36.8 80.6 Favored 'General case' 0 C--N 1.333 -0.136 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.654 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -62.3 -37.12 84.32 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.489 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.8 mt -63.61 -35.78 81.65 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 121.041 -0.264 . . . . 0.0 110.401 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 63.36 28.81 15.68 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 120.953 -0.299 . . . . 0.0 110.604 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.422 ' O ' ' O ' ' A' ' 52' ' ' TYR . 98.1 m-20 -62.06 -36.82 82.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.639 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.514 ' CG ' ' OXT' ' A' ' 52' ' ' TYR . 92.5 t80 . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.486 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.336 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.0 t -154.34 -170.38 3.52 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.4 m -134.19 4.1 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-O 120.812 0.339 . . . . 0.0 110.49 179.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -65.84 -28.97 69.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.618 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.19 -37.12 84.06 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.699 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.466 ' N ' ' CD1' ' A' ' 6' ' ' LEU . 7.9 mp -63.11 -36.94 85.26 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.754 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 73.2 p -84.89 -9.06 58.49 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.745 0.307 . . . . 0.0 110.724 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.94 -25.75 68.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.426 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -62.95 -29.36 70.74 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.534 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.61 -27.63 68.79 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.487 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.37 -36.65 82.92 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.671 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.7 mt -67.89 -28.66 67.7 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 120.924 -0.311 . . . . 0.0 110.349 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.1 tp-100 -61.79 -36.34 80.8 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.456 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 42.6 ttm105 -60.74 -37.8 82.99 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.529 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.502 ' CD2' ' N ' ' A' ' 15' ' ' LEU . 3.3 mm? -62.63 -36.87 84.17 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 120.594 -0.443 . . . . 0.0 110.306 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -61.86 -38.95 90.18 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.431 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -79.37 -12.68 59.91 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.821 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.37 -36.84 85.04 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.411 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 56.23 38.05 29.43 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.93 0.395 . . . . 0.0 110.325 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -61.9 -38.61 89.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.832 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -62.17 -37.65 86.06 Favored 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.856 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.03 -36.01 83.01 Favored 'General case' 0 N--CA 1.462 0.145 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.145 179.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.63 -26.16 67.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.498 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -62.11 -37.16 84.05 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.499 ' CD2' ' N ' ' A' ' 25' ' ' LEU . 3.2 mm? -61.98 -36.99 83.12 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.254 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.58 -36.34 83.48 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.009 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -68.4 -18.3 64.42 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -179.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 91.6 mt -63.98 -28.9 70.13 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 120.889 -0.324 . . . . 0.0 111.678 -179.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 63.2 pttt -55.23 -29.93 58.99 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 120.393 -0.523 . . . . 0.0 110.706 -178.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 73.7 m -61.67 -37.41 83.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.52 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -62.83 -37.02 85.16 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.127 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.57 -20.46 63.32 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.888 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.8 -33.96 72.42 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.382 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.79 -36.42 81.05 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.847 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -88.4 -8.48 54.95 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.687 0.279 . . . . 0.0 110.853 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -74.44 -13.16 60.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.442 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.2 pttm -60.52 -26.82 67.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -62.3 -36.89 83.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.403 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.5 -33.8 76.38 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 121.095 -0.242 . . . . 0.0 110.677 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.55 -25.66 66.33 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 120.954 -0.298 . . . . 0.0 110.966 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.03 -36.37 81.35 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.492 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -61.68 -37.92 85.87 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.512 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -66.62 -22.89 66.12 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.033 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.25 -23.36 65.59 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.679 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.6 tp -61.8 -39.23 91.02 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.486 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.8 -36.38 82.94 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.545 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.59 -36.83 81.8 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 120.959 -0.296 . . . . 0.0 110.758 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.9 mttp 54.12 38.6 29.43 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.357 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 73.3 mt 56.33 31.11 18.02 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.768 0.318 . . . . 0.0 110.351 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.42 -36.64 80.91 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.109 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.428 ' O ' ' OD1' ' A' ' 51' ' ' ASP . 67.8 t0 -60.77 -38.16 84.34 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.088 -179.398 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 . . . . . 0 C--O 1.219 -0.5 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.552 179.914 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.271 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.7 t -61.42 -39.44 90.77 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 122.866 -0.196 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 53.7 t -62.79 -38.94 83.08 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-O 120.662 0.268 . . . . 0.0 110.302 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -59.97 -35.32 74.73 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.845 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -60.75 -37.57 82.25 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 120.952 -0.299 . . . . 0.0 111.296 -179.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.6 mp -62.94 -37.11 85.72 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.72 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 76.6 p -81.87 -11.39 58.95 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.803 0.335 . . . . 0.0 110.645 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 53.03 26.97 5.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.526 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -62.56 -35.28 78.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.555 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.93 -28.55 69.02 Favored 'General case' 0 C--O 1.232 0.178 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.662 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -68.03 -27.94 66.96 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.367 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.7 mt -63.18 -38.38 90.93 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.038 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -65.0 -36.53 84.7 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.809 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 77.4 mtp85 -62.29 -36.75 83.07 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.524 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.6 mt -63.29 -36.28 83.15 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.275 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -65.61 -24.57 67.09 Favored 'General case' 0 C--N 1.334 -0.084 0 CA-C-O 120.783 0.325 . . . . 0.0 110.564 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 32.6 m120 55.57 38.7 30.54 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.417 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.19 -37.91 87.11 Favored 'General case' 0 N--CA 1.463 0.187 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.488 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 66.45 96.53 0.05 Allowed 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.3 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -88.98 -3.97 58.57 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.422 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -64.65 -36.91 85.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.505 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -65.88 -34.89 79.18 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.868 0.366 . . . . 0.0 110.242 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.12 -26.87 67.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.706 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -62.95 -36.55 83.83 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.421 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.3 tp -62.2 -38.9 90.9 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.91 -37.98 86.65 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.259 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.433 ' O ' ' OG ' ' A' ' 30' ' ' SER . 72.0 ttp85 -61.48 -37.67 84.49 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.15 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.3 tp -62.05 -38.68 89.67 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.262 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -61.38 -38.94 88.84 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.623 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.433 ' OG ' ' O ' ' A' ' 27' ' ' ARG . 95.6 p -62.95 -30.33 71.49 Favored 'General case' 0 C--O 1.231 0.092 0 C-N-CA 120.801 -0.359 . . . . 0.0 110.529 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -62.66 -39.63 94.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.756 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.78 -36.9 82.42 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.894 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -96.37 23.04 7.09 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 120.632 0.254 . . . . 0.0 111.223 -179.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.503 ' OD1' ' CE1' ' A' ' 35' ' ' HIS . 66.1 t0 -68.92 129.43 39.91 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.835 0.35 . . . . 0.0 110.528 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.503 ' CE1' ' OD1' ' A' ' 34' ' ' ASP . 25.0 m80 65.41 4.12 2.59 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.189 -179.418 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -89.92 -10.86 43.57 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.039 0.447 . . . . 0.0 109.883 179.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -62.46 -36.52 82.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.493 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -62.21 -36.48 82.06 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.501 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.96 -38.08 87.16 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.392 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.93 -37.18 81.41 Favored 'General case' 0 N--CA 1.462 0.175 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.317 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -63.55 -35.71 81.39 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.47 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -62.52 -36.91 84.07 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.558 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.518 ' NZ ' ' OE1' ' A' ' 46' ' ' GLU . 58.8 tptt -62.28 -37.27 84.88 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.433 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.12 -20.01 49.71 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.775 0.321 . . . . 0.0 111.043 -178.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.3 tp -61.17 -39.01 88.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.432 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.518 ' OE1' ' NZ ' ' A' ' 43' ' ' LYS . 98.9 mt-10 -62.81 -35.94 81.55 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.413 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -64.65 -24.23 67.52 Favored 'General case' 0 N--CA 1.461 0.114 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.491 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt 56.57 42.46 27.14 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.914 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 97.0 mt -62.25 -36.42 81.96 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.501 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 59.79 30.31 19.88 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 120.774 -0.371 . . . . 0.0 110.498 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 53.2 t0 53.3 39.87 30.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.526 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 91.8 t80 . . . . . 0 C--O 1.221 -0.413 0 CA-C-O 117.947 -1.025 . . . . 0.0 110.441 179.958 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.265 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.7 m 55.19 34.75 23.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.696 0.284 . . . . 0.0 110.544 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 53.3 t -63.81 -39.8 86.73 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.575 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -62.24 -38.88 90.93 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.409 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -66.34 -28.76 68.92 Favored 'General case' 0 C--N 1.333 -0.125 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.638 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.4 tp -62.43 -39.1 92.22 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.708 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 75.7 p -82.57 -12.18 57.91 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.797 0.332 . . . . 0.0 110.614 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 46.67 28.11 0.75 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.48 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -64.14 -27.06 68.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.536 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.44 -28.31 69.18 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.647 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.39 -36.68 83.07 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.694 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.1 mt -63.96 -36.27 83.42 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.362 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.519 ' NE2' ' OE2' ' A' ' 22' ' ' GLU . 53.5 tt0 -62.32 -36.44 82.17 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.47 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.08 -34.92 77.19 Favored 'General case' 0 C--N 1.333 -0.143 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.569 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.4 tp -59.9 -38.14 81.43 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -60.6 -36.07 77.67 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 62.5 t30 60.3 40.2 18.01 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 178.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -141.78 154.5 45.28 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 96.2 mtt-85 58.06 57.05 4.25 Favored 'General case' 0 C--N 1.349 0.584 0 CA-C-N 118.435 0.561 . . . . 0.0 111.538 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -88.37 -1.71 58.19 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.529 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.7 -38.3 89.86 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.453 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.519 ' OE2' ' NE2' ' A' ' 13' ' ' GLN . 23.4 pt-20 -61.88 -19.95 63.2 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.673 -179.645 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.2 -37.37 82.75 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.713 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.02 -37.33 87.02 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.357 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.499 ' CD1' ' N ' ' A' ' 25' ' ' LEU . 7.6 mp -64.14 -36.15 83.09 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 121.032 -0.267 . . . . 0.0 110.389 179.584 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.08 -38.16 87.76 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.469 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 89.3 mmt-85 -82.43 -17.43 45.42 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 59.8 tp -63.19 -40.32 97.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.419 -179.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -67.63 -22.73 65.32 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 120.546 -0.462 . . . . 0.0 111.259 -179.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 74.3 m -61.76 -37.73 85.38 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.735 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.91 -38.05 89.42 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.3 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.1 -22.48 66.95 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.879 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.41 -31.67 70.61 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.589 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.07 -36.65 80.18 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.621 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -61.12 -39.64 90.78 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 120.691 -0.403 . . . . 0.0 110.698 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.76 -37.17 83.28 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.571 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.21 -36.4 83.5 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.619 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.5 mmtp -65.48 -25.28 67.42 Favored 'General case' 0 C--N 1.334 -0.108 0 C-N-CA 120.978 -0.289 . . . . 0.0 110.453 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -62.17 -28.38 69.62 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.547 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.49 -18.12 37.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.056 -179.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -58.01 -19.58 32.15 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.247 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 71.6 ttp85 -61.23 -37.8 84.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.387 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -66.86 -22.75 65.98 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.633 0.254 . . . . 0.0 110.977 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.434 ' O ' ' OD1' ' A' ' 47' ' ' ASP . . . -61.21 -23.58 65.72 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.685 -179.555 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.7 mt -69.55 -21.01 63.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.749 0.309 . . . . 0.0 110.321 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.11 -36.92 81.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.977 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 48' ' ' LYS . 58.2 p30 -66.35 -13.93 61.31 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.878 -179.443 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.456 ' N ' ' OD1' ' A' ' 47' ' ' ASP . 64.6 tttm -60.97 -38.3 85.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.311 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.5 tp -61.91 -38.87 90.03 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 120.776 -0.369 . . . . 0.0 110.388 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 62.55 34.32 15.28 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.584 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.413 ' O ' ' OD1' ' A' ' 51' ' ' ASP . 67.8 t0 -61.47 -37.6 84.21 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.529 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.418 ' CG ' ' OXT' ' A' ' 52' ' ' TYR . 89.8 t80 . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.415 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.338 0 N-CA-C 109.488 -1.445 . . . . 0.0 109.488 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.9 p -63.69 -23.7 67.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.717 0.294 . . . . 0.0 110.684 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.2 m -136.16 -5.05 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.677 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.13 -36.65 84.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.781 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt 54.43 37.4 27.62 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.371 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.0 tp -62.84 -39.18 93.59 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 120.946 -0.302 . . . . 0.0 110.61 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.429 ' CG2' ' OD1' ' A' ' 9' ' ' ASP . 8.8 t -152.53 150.01 29.12 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-O 120.718 0.294 . . . . 0.0 110.853 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -82.45 -14.29 55.35 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.429 ' OD1' ' CG2' ' A' ' 7' ' ' THR . 57.0 p30 -89.07 7.04 36.99 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.528 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.99 -36.78 80.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.542 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.4 -36.14 81.4 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.611 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.9 mt -63.72 -36.12 82.82 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.511 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -63.49 -37.07 85.87 Favored 'General case' 0 N--CA 1.462 0.148 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.555 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.524 ' NH1' ' OE2' ' A' ' 26' ' ' GLU . 63.3 ttm-85 -61.46 -37.95 85.46 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 61.6 tp -62.6 -38.37 89.91 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.129 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -61.06 -37.12 81.5 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 116.73 -0.214 . . . . 0.0 110.657 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 41.8 t-20 -79.23 68.84 5.31 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.504 -179.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -64.3 -19.41 65.4 Favored 'General case' 0 C--N 1.34 0.171 0 CA-C-O 120.73 0.3 . . . . 0.0 110.911 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 91.6 mtm180 -58.7 141.3 53.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.01 0.433 . . . . 0.0 110.88 -179.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 56.1 p-80 -72.09 -8.76 56.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.897 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.15 -37.72 80.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.478 -179.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -61.92 -38.48 88.57 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.217 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.41 -37.36 83.2 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.668 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -64.02 -36.61 84.55 Favored 'General case' 0 N--CA 1.462 0.151 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.593 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.1 tp -62.19 -38.71 90.15 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.375 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.524 ' OE2' ' NH1' ' A' ' 14' ' ' ARG . 95.2 mt-10 -86.26 -16.92 36.11 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 120.837 0.351 . . . . 0.0 110.289 179.384 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.421 ' O ' ' OG ' ' A' ' 30' ' ' SER . 63.3 ttm-85 -61.51 -37.74 84.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.423 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.4 tp -62.32 -38.98 91.56 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 120.634 -0.427 . . . . 0.0 110.453 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -63.1 -36.78 84.75 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.957 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.421 ' OG ' ' O ' ' A' ' 27' ' ' ARG . 98.0 p -63.53 -21.66 66.45 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.783 0.325 . . . . 0.0 110.72 -179.745 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.48 -38.13 86.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.252 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.67 -36.39 80.72 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 121.07 -0.252 . . . . 0.0 111.065 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -94.35 21.49 7.01 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -179.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.513 ' OD1' ' ND1' ' A' ' 35' ' ' HIS . 53.3 p-10 -83.23 5.2 23.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.186 0.517 . . . . 0.0 109.899 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.513 ' ND1' ' OD1' ' A' ' 34' ' ' ASP . 80.3 m80 -98.43 23.5 8.41 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 178.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 62.04 36.26 15.51 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.973 -179.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -63.36 -38.65 91.97 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.083 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -62.71 -37.0 84.78 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 120.894 -0.323 . . . . 0.0 110.67 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.6 -36.1 81.67 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.639 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.04 -25.88 67.93 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.491 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.15 -38.07 87.6 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.436 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.91 -36.28 82.85 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.645 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -70.77 -20.11 62.64 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.689 0.28 . . . . 0.0 110.446 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.74 -24.4 66.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.491 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.6 tp -61.97 -38.81 89.95 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.356 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.02 -38.07 87.27 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.429 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' A' ' 47' ' ' ASP . 67.0 t0 -61.53 -37.49 83.94 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.571 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -63.01 -36.15 82.6 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.719 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 91.0 mt -73.94 -15.18 61.13 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.774 0.321 . . . . 0.0 110.555 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.27 -24.66 67.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.557 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.415 ' O ' ' OD1' ' A' ' 51' ' ' ASP . 67.9 t0 -60.92 -37.88 83.8 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.719 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 117.952 -1.023 . . . . 0.0 110.506 179.79 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.309 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.8 m -62.76 -37.06 85.14 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 121.183 -0.207 . . . . 0.0 110.925 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.2 p -57.74 -30.43 37.45 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.936 -179.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.436 ' O ' ' O ' ' A' ' 7' ' ' THR . 98.5 mt-10 -62.52 -36.16 81.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.691 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.1 -38.15 85.29 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.495 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.511 ' CD2' ' N ' ' A' ' 6' ' ' LEU . 3.2 mm? -63.01 -36.49 83.73 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.763 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.436 ' O ' ' O ' ' A' ' 4' ' ' GLU . 99.6 m -106.07 125.07 50.55 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 120.856 0.36 . . . . 0.0 110.816 -179.685 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -82.32 -19.23 39.8 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.952 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -64.43 -26.69 68.56 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.462 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.77 -26.91 68.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.421 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.48 -36.66 83.19 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.64 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.2 mt -64.11 -35.88 82.2 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.415 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -63.72 -36.47 83.97 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.504 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.07 -36.75 82.6 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.625 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.6 mt -63.19 -36.37 83.42 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.422 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -65.15 -26.6 68.25 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 120.955 -0.298 . . . . 0.0 110.584 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 54.49 39.41 31.06 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.801 -0.359 . . . . 0.0 110.562 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 55.71 34.31 23.08 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.472 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 44.02 -124.09 0.9 Allowed 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.676 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.436 ' O ' ' OE1' ' A' ' 24' ' ' GLU . 58.8 m170 57.32 28.76 15.74 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.505 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -67.02 -38.51 86.06 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.783 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -66.87 -27.0 67.16 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.817 0.341 . . . . 0.0 110.878 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.04 -37.84 80.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.985 -179.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.436 ' OE1' ' O ' ' A' ' 20' ' ' HIS . 60.5 mp0 -63.76 -36.61 84.43 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.32 179.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.3 tp -62.97 -38.66 92.02 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 120.981 -0.287 . . . . 0.0 110.513 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.61 -38.28 87.05 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.653 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -63.6 -36.98 85.61 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.659 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.7 mt -85.02 -15.05 45.44 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.821 0.343 . . . . 0.0 110.256 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.53 -38.6 88.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.569 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 91.1 p -62.03 -33.28 74.08 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 120.947 -0.301 . . . . 0.0 110.639 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -62.57 -39.29 93.19 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.296 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -79.89 -18.58 50.26 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.747 0.308 . . . . 0.0 110.949 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.4 -15.33 50.21 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.07 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -91.75 110.14 21.47 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.102 -179.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.526 ' O ' ' CG ' ' A' ' 35' ' ' HIS . 85.4 t60 52.67 28.36 6.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.386 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -156.46 7.34 0.19 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.102 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -61.36 -31.73 71.63 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.234 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt -62.76 -36.87 84.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.833 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.525 ' OE1' ' NH1' ' A' ' 42' ' ' ARG . 80.4 mm-40 -67.46 -24.59 65.63 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.759 0.314 . . . . 0.0 110.631 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.41 -20.74 65.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.466 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.44 -35.87 78.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.805 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.525 ' NH1' ' OE1' ' A' ' 39' ' ' GLU . 88.6 mtm180 -62.13 -37.03 83.6 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.468 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -63.86 -36.08 82.76 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.5 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.55 -22.04 61.13 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.128 -178.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.1 mt -66.27 -28.38 68.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.354 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -65.43 -26.7 68.08 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.548 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.44 -36.46 80.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.778 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.444 ' O ' ' OD1' ' A' ' 51' ' ' ASP . 88.0 tttt -61.13 -38.62 87.02 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.369 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.3 mt -63.78 -35.19 79.79 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 120.859 -0.337 . . . . 0.0 110.572 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.01 -36.14 78.73 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.203 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.444 ' OD1' ' O ' ' A' ' 48' ' ' LYS . 98.0 m-20 54.37 37.52 27.74 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.445 -179.688 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.419 ' OXT' ' CG ' ' A' ' 52' ' ' TYR . 90.6 t80 . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.424 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.258 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.1 p -72.39 -14.49 61.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.632 0.253 . . . . 0.0 111.022 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.6 m -138.82 12.87 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.302 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.401 ' HG3' ' H ' ' A' ' 6' ' ' LEU . 24.6 pt-20 -66.24 -20.54 66.15 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.82 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt 53.67 41.26 32.12 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.079 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.401 ' H ' ' HG3' ' A' ' 4' ' ' GLU . 94.8 mt -102.34 4.47 39.05 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 120.766 0.317 . . . . 0.0 110.398 179.454 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 98.2 m -112.42 126.35 55.2 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.729 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.43 -20.78 39.66 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.419 ' O ' ' OE1' ' A' ' 13' ' ' GLN . 97.8 m-20 -65.07 -27.3 68.68 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.581 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.88 -23.98 66.64 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.56 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.62 -38.3 89.68 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.302 -179.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.2 mt -63.36 -39.16 93.78 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 120.522 -0.471 . . . . 0.0 111.151 -179.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.419 ' OE1' ' O ' ' A' ' 9' ' ' ASP . 26.0 mp0 -65.48 -36.94 85.37 Favored 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 120.694 -0.403 . . . . 0.0 110.952 179.674 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.37 -36.66 82.96 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.514 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.8 mt -64.21 -33.41 75.73 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.271 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -60.13 -38.54 83.38 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 121.024 -0.27 . . . . 0.0 110.739 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 63.4 t30 55.94 40.08 30.5 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 120.754 -0.379 . . . . 0.0 110.709 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 54.6 33.08 18.36 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 120.944 -0.303 . . . . 0.0 110.76 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 46.57 77.68 0.08 Allowed 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.586 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 34.1 p80 -66.75 -18.14 65.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.332 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -62.9 -38.1 89.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.139 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.4 -37.6 86.43 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.444 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.97 -29.82 69.9 Favored 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.406 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.88 -38.16 87.27 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.278 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 85.6 mt -64.01 -36.12 82.95 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.347 179.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -62.24 -37.31 84.9 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.634 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.437 ' O ' ' OG ' ' A' ' 30' ' ' SER . 43.5 ttm180 -61.12 -38.11 85.2 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.598 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.8 tp -62.61 -39.02 92.46 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.336 179.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.99 -38.7 89.57 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.699 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.437 ' OG ' ' O ' ' A' ' 27' ' ' ARG . 93.5 p -61.89 -33.78 74.83 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.808 0.337 . . . . 0.0 110.62 -179.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.77 -37.75 87.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.363 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.18 -21.24 66.08 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.898 -179.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.0 -34.26 73.09 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.448 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -83.87 71.3 10.48 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.862 0.363 . . . . 0.0 110.027 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 63.9 t-80 -155.09 -21.0 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.171 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 55.6 p30 -82.47 0.23 43.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.59 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -63.97 -24.88 67.89 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.602 -179.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -58.99 -17.34 24.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.108 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -59.67 -21.26 60.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.432 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.0 -26.55 68.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.379 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.7 -36.25 82.35 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.635 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -62.46 -37.08 84.53 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 120.909 -0.317 . . . . 0.0 110.649 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -68.67 -23.96 64.46 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.709 0.29 . . . . 0.0 111.017 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.428 ' O ' ' OD1' ' A' ' 47' ' ' ASP . . . -62.11 -22.65 65.99 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.615 -179.632 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.7 mt -70.55 -20.39 62.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.513 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -62.57 -25.99 68.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.078 -179.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.428 ' OD1' ' O ' ' A' ' 44' ' ' ALA . 55.4 p-10 -66.74 -14.17 62.26 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.786 -179.63 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -128.2 148.31 50.61 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 88.0 mt -91.92 -0.35 57.49 Favored 'General case' 0 C--N 1.348 0.505 0 CA-C-N 118.213 0.461 . . . . 0.0 110.487 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.36 -25.98 67.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.554 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.421 ' O ' ' O ' ' A' ' 52' ' ' TYR . 55.0 p-10 -83.98 2.02 40.9 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.811 0.338 . . . . 0.0 110.639 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.525 ' CG ' ' OXT' ' A' ' 52' ' ' TYR . 89.0 t80 . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.311 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.315 0 N-CA-C 109.489 -1.445 . . . . 0.0 109.489 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.1 p -63.54 -23.44 67.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.702 0.286 . . . . 0.0 110.515 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.8 p -57.4 -28.36 30.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.524 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.37 -38.05 88.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.766 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -62.07 -37.0 83.37 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.813 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.477 ' N ' ' CD1' ' A' ' 6' ' ' LEU . 8.0 mp -63.05 -35.91 81.8 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.731 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.428 ' OG1' ' OD1' ' A' ' 9' ' ' ASP . 70.4 p -78.89 163.32 25.38 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.949 0.404 . . . . 0.0 110.785 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -85.08 -2.68 58.27 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.117 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.428 ' OD1' ' OG1' ' A' ' 7' ' ' THR . 55.4 p30 -80.1 0.35 32.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.805 0.336 . . . . 0.0 110.54 -179.667 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.61 -25.45 68.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.463 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -64.54 -25.8 68.14 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.256 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.4 mt -63.84 -36.86 85.29 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.323 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -65.5 -35.55 81.21 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.506 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 26.0 mmt85 -65.05 -24.58 67.51 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 -179.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.7 tp -61.83 -39.77 92.98 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.239 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.426 ' O ' ' OE1' ' A' ' 22' ' ' GLU . 73.1 mmtt -73.46 -21.8 60.35 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -108.5 18.98 20.34 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.292 -179.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -61.22 -22.51 64.85 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.044 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 38.2 mmt180 -72.99 138.58 46.11 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.084 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -61.94 -41.15 97.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.062 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.4 -38.31 90.65 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.551 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.426 ' OE1' ' O ' ' A' ' 16' ' ' LYS . 95.7 mt-10 -64.27 -36.62 84.69 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.791 0.329 . . . . 0.0 110.371 179.743 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.2 -37.14 81.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.639 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -64.25 -35.84 82.13 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.733 179.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.0 mt -82.54 -15.39 52.52 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.824 0.345 . . . . 0.0 110.628 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -60.97 -37.46 82.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 -57.38 -23.87 51.83 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.571 -179.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.3 tp -62.56 -39.12 92.64 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.711 -0.395 . . . . 0.0 110.381 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -63.26 -36.67 84.44 Favored 'General case' 0 N--CA 1.462 0.166 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.555 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 75.2 m -61.83 -36.85 82.37 Favored 'General case' 0 C--N 1.333 -0.152 0 C-N-CA 121.005 -0.278 . . . . 0.0 110.748 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.06 -37.91 86.79 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.463 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.43 -22.35 66.83 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.645 0.259 . . . . 0.0 110.903 -179.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.2 -33.09 71.74 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.816 -0.353 . . . . 0.0 110.501 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 35' ' ' HIS . 65.8 t0 -64.94 137.02 57.48 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.428 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.522 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 22.1 m80 67.12 1.06 2.24 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.144 -179.224 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.419 ' H ' ' C ' ' A' ' 34' ' ' ASP . 56.6 t0 -70.06 -33.79 72.37 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 178.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -68.5 -22.94 64.51 Favored 'General case' 0 N--CA 1.461 0.088 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.456 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp -66.08 -24.44 66.71 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.248 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.02 -35.12 79.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.705 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.16 -24.58 67.26 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 121.031 -0.268 . . . . 0.0 110.862 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -64.97 -25.61 67.94 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.516 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -62.78 -36.28 82.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.673 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 56.9 mtmt -66.94 -22.31 65.94 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.671 0.272 . . . . 0.0 110.922 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.76 -23.7 65.18 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.636 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.8 tp -62.0 -38.87 90.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.48 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.26 -38.05 87.79 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.49 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -61.61 -36.62 81.23 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.673 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -62.34 -36.66 82.9 Favored 'General case' 0 C--O 1.232 0.14 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.668 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.7 tp -62.05 -39.23 91.66 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.499 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.33 -37.34 82.92 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.688 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.497 ' O ' ' CG ' ' A' ' 52' ' ' TYR . 98.1 m-20 -62.03 -36.74 82.49 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.687 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.497 ' CG ' ' O ' ' A' ' 51' ' ' ASP . 96.8 m-85 . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.43 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.366 0 N-CA-C 109.589 -1.404 . . . . 0.0 109.589 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.3 m -62.4 -37.45 85.82 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 121.18 -0.208 . . . . 0.0 110.861 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.8 p -59.08 -32.39 47.79 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.146 0 CA-C-O 120.832 0.349 . . . . 0.0 110.571 -179.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -63.67 -36.29 83.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.734 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.3 mmmt -65.23 -27.13 68.45 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.512 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.4 tp -62.44 -39.13 92.34 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.647 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 77.5 p -80.76 163.33 23.58 Favored 'General case' 0 N--CA 1.461 0.107 0 CA-C-O 120.926 0.393 . . . . 0.0 110.808 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.48 -12.38 60.03 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.459 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.27 -35.5 77.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.708 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.06 -26.04 67.36 Favored 'General case' 0 N--CA 1.463 0.195 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.645 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.92 -38.87 90.04 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.671 -0.412 . . . . 0.0 110.227 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.5 mt -65.25 -35.07 79.92 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.254 179.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -63.53 -36.24 83.14 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.655 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -60.32 -38.05 82.52 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.655 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 91.9 mt -62.78 -37.67 87.56 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.296 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -63.74 -36.48 84.0 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 120.971 -0.292 . . . . 0.0 110.291 179.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 60.7 t30 57.4 35.86 26.45 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.087 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.534 ' O ' ' CD2' ' A' ' 20' ' ' HIS . 97.4 mt-10 -93.49 -3.72 52.47 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.854 0.359 . . . . 0.0 110.401 179.139 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -64.1 -39.7 94.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.697 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.534 ' CD2' ' O ' ' A' ' 18' ' ' GLU . 87.5 m-70 61.64 12.14 4.37 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.989 -179.597 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -67.12 -37.27 83.59 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.355 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.94 -36.9 84.97 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.798 0.332 . . . . 0.0 110.413 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.1 -37.59 83.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.707 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.16 -36.67 84.81 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.653 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.3 tp -62.07 -36.39 81.51 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.578 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.5 tm-20 -58.88 -34.76 72.01 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.956 -0.298 . . . . 0.0 111.005 -179.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.424 ' O ' ' OG ' ' A' ' 30' ' ' SER . 83.4 mtt85 -61.92 -37.53 85.0 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.762 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.512 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 3.0 mm? -64.82 -34.6 78.75 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.459 179.524 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.4 ttmm -60.26 -36.76 78.54 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.66 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.424 ' OG ' ' O ' ' A' ' 27' ' ' ARG . 94.4 p -61.65 -23.31 65.97 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.686 -179.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.85 -36.74 84.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.284 179.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.55 -20.36 63.17 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.908 -179.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.78 -33.81 72.19 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.486 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.429 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 67.6 t0 -61.17 -37.2 82.06 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.41 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 64.0 t-80 -61.99 -37.67 85.72 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.469 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.429 ' O ' ' OD1' ' A' ' 36' ' ' ASP . 67.5 t0 -61.43 -37.06 82.14 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 120.829 -0.349 . . . . 0.0 110.554 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -62.08 -36.46 81.74 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 120.899 -0.32 . . . . 0.0 110.62 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -61.15 -38.45 86.47 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.454 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.15 -37.9 86.93 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.441 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.11 -36.88 80.88 Favored 'General case' 0 N--CA 1.463 0.187 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.444 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.78 -36.17 82.25 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.501 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 79.0 ttt-85 -61.26 -37.96 84.97 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.567 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -67.9 -23.35 65.09 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.693 0.282 . . . . 0.0 111.13 -179.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.437 ' O ' ' OD1' ' A' ' 47' ' ' ASP . . . -61.17 -25.89 67.33 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.738 -179.481 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.4 mt -72.73 -17.97 61.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.719 0.295 . . . . 0.0 110.413 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -61.52 -38.29 86.84 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.722 -179.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 48' ' ' LYS . 58.1 p30 -70.2 -13.83 62.36 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.59 -179.645 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.439 ' N ' ' OD1' ' A' ' 47' ' ' ASP . 63.9 mttp 54.67 37.63 28.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.631 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.5 tp -62.81 -39.1 93.22 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.452 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.22 -28.64 69.83 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.558 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.434 ' O ' ' OD1' ' A' ' 51' ' ' ASP . 67.9 t0 -61.32 -37.83 84.66 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.625 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 91.9 t80 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.481 179.935 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.292 0 N-CA-C 109.476 -1.45 . . . . 0.0 109.476 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.536 ' O ' ' N ' ' A' ' 4' ' ' GLU . 94.1 p -63.61 -36.72 84.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.845 0.355 . . . . 0.0 110.552 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 30.7 m 35.94 26.19 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.511 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.536 ' N ' ' O ' ' A' ' 2' ' ' SER . 96.8 mt-10 -62.73 -36.63 83.6 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.904 -0.319 . . . . 0.0 110.85 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.422 ' O ' ' OD2' ' A' ' 9' ' ' ASP . 68.8 mttm -70.42 -20.22 62.93 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 121.11 -0.236 . . . . 0.0 110.999 -179.684 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 83.9 mt -93.44 1.5 56.82 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.287 -179.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.448 ' O ' ' O ' ' A' ' 4' ' ' GLU . 13.2 t -151.91 158.79 43.66 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.893 0.378 . . . . 0.0 110.806 179.795 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 55.8 31.31 17.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.483 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.422 ' OD2' ' O ' ' A' ' 5' ' ' LYS . 96.9 m-20 -75.15 -10.05 59.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.559 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.13 -26.72 67.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.127 -179.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -62.95 -26.82 69.0 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.978 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.3 mt -64.41 -35.7 81.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.373 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -66.42 -29.83 70.06 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 121.011 -0.275 . . . . 0.0 110.731 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -60.42 -38.68 84.84 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.783 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.1 mt -63.58 -36.64 84.47 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.522 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -62.75 -36.54 83.38 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.73 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 32.5 m120 -67.05 -25.9 66.49 Favored 'General case' 0 C--N 1.333 -0.129 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.71 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 54.95 38.38 30.36 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.803 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 73.1 mtp85 56.03 44.93 24.64 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.806 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 64.1 t-80 -63.84 -26.29 68.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.984 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -58.14 -31.82 67.57 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.774 -178.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -54.52 -19.81 6.56 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 120.365 -0.534 . . . . 0.0 110.616 -178.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.81 -24.93 68.0 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.399 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.56 -35.77 81.6 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.751 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.1 tp -61.3 -38.77 88.01 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.579 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.95 -37.97 86.75 Favored 'General case' 0 N--CA 1.463 0.207 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.621 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.426 ' O ' ' OG ' ' A' ' 30' ' ' SER . 78.9 ttt-85 -61.28 -37.63 83.86 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.598 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.3 tp -62.17 -39.1 91.53 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.65 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -62.87 -37.15 85.74 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.038 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.426 ' OG ' ' O ' ' A' ' 27' ' ' ARG . 98.4 p -63.43 -22.79 67.09 Favored 'General case' 0 C--N 1.333 -0.118 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.716 -179.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.65 -38.9 92.12 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.529 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.34 -37.88 87.36 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 121.157 -0.217 . . . . 0.0 111.385 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -96.92 21.8 9.18 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 120.774 0.321 . . . . 0.0 111.336 -179.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -86.36 107.88 18.2 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.448 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.525 ' O ' ' ND1' ' A' ' 35' ' ' HIS . 59.3 t-80 55.04 31.96 17.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.963 -179.719 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 53.82 35.28 21.16 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.163 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -62.59 -39.64 94.37 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.077 -179.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -61.38 -38.77 88.25 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.597 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.39 -36.6 82.81 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 120.95 -0.3 . . . . 0.0 110.996 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.99 -37.46 82.55 Favored 'General case' 0 N--CA 1.463 0.187 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.636 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.58 -35.8 81.7 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.688 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.12 -36.49 81.91 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 121.032 -0.267 . . . . 0.0 110.952 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -66.3 -22.58 66.29 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.714 0.293 . . . . 0.0 111.064 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.77 -23.83 65.29 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.423 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 98.2 mt -64.51 -33.08 75.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.377 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.99 -38.09 84.77 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.746 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.41 -36.57 80.7 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.637 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 54.64 38.2 29.53 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.736 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.1 tp -62.92 -39.07 93.45 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.657 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.27 -37.23 82.37 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.957 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.72 -37.16 83.16 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.752 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 91.8 t80 . . . . . 0 C--O 1.221 -0.42 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.507 -179.957 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.242 0 N-CA-C 109.59 -1.404 . . . . 0.0 109.59 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.5 p -63.67 -23.97 67.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.687 0.279 . . . . 0.0 110.639 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.3 m -135.32 -4.84 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.609 179.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -63.35 -36.6 84.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.717 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -67.02 -27.15 67.17 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.692 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 86.1 mt -97.16 -0.68 46.5 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.633 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 93.8 m -117.86 128.6 55.0 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.817 0.341 . . . . 0.0 110.475 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -115.77 26.31 10.1 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.732 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 55.0 p30 -82.52 2.39 33.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.852 0.358 . . . . 0.0 110.769 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.18 -27.71 69.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.377 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.61 -36.74 83.74 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.686 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.8 mt -64.2 -36.25 83.45 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.536 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -62.69 -37.44 86.46 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.777 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 78.9 ttt-85 -61.67 -38.49 87.97 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.703 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.6 mt -63.46 -36.93 85.38 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.61 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -72.57 -17.38 61.71 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.883 0.373 . . . . 0.0 110.31 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -61.44 -35.74 78.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.564 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.18 -36.49 82.06 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.812 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -92.4 113.78 26.15 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.532 ' CE1' ' OE2' ' A' ' 21' ' ' GLU . 56.0 p-80 -81.47 -15.96 53.43 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.221 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.532 ' OE2' ' CE1' ' A' ' 20' ' ' HIS . 57.2 mp0 -64.55 -35.83 82.23 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.599 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -61.8 -38.59 88.66 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.154 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.54 -37.13 82.66 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.549 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -63.65 -36.36 83.59 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.616 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 94.7 mt -84.83 -15.59 44.27 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.802 0.334 . . . . 0.0 110.39 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.38 -37.3 82.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.045 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -58.04 -22.2 48.91 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.585 -179.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.2 tp -62.3 -38.85 90.97 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.335 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -61.19 -38.26 85.89 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.352 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.4 t -60.99 -39.09 88.32 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 120.859 -0.337 . . . . 0.0 110.649 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.43 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 97.4 mt-10 -63.43 -34.89 78.73 Favored 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.783 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.537 ' O ' ' ND1' ' A' ' 35' ' ' HIS . . . -59.46 -22.95 62.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.21 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.94 -24.06 67.58 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.44 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.43 ' OD1' ' O ' ' A' ' 31' ' ' GLU . 54.5 p30 -77.51 4.19 11.74 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.597 -179.537 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.537 ' ND1' ' O ' ' A' ' 32' ' ' ALA . 52.8 p-80 -62.58 -20.56 64.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.249 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.38 -36.39 80.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.459 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -61.15 -37.97 84.75 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.311 179.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.75 -36.76 81.94 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.552 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -61.92 -38.1 87.17 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.019 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.3 -36.17 79.38 Favored 'General case' 0 N--CA 1.462 0.138 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.506 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.16 -36.73 82.74 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.644 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -61.8 -38.21 87.26 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.436 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt -68.04 -22.71 64.95 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.637 0.256 . . . . 0.0 111.016 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.75 -25.89 66.81 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.856 -0.337 . . . . 0.0 110.705 -179.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.8 tp -62.16 -39.43 92.62 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.328 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.4 -34.71 78.34 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 121.027 -0.269 . . . . 0.0 110.872 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -60.7 -34.82 74.93 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.817 -179.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.34 -37.28 82.71 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.866 -179.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.507 ' N ' ' CD2' ' A' ' 49' ' ' LEU . 3.3 mm? -63.23 -36.97 85.42 Favored 'General case' 0 N--CA 1.462 0.164 0 C-N-CA 120.591 -0.443 . . . . 0.0 110.48 179.676 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 57.24 28.55 15.32 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.323 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -61.95 -36.96 82.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.559 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 117.947 -1.025 . . . . 0.0 110.573 -179.97 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.33 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.5 m -62.67 -37.21 85.53 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 121.159 -0.216 . . . . 0.0 110.944 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.471 ' C ' ' H ' ' A' ' 5' ' ' LYS . 35.0 m -136.38 158.23 37.82 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.76 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 76.5 -26.87 0.18 Allowed 'General case' 0 C--N 1.35 0.607 0 CA-C-N 118.482 0.583 . . . . 0.0 110.731 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.471 ' H ' ' C ' ' A' ' 3' ' ' VAL . 48.1 mmtm -102.2 2.49 37.28 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.376 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 85.9 mt -96.24 2.92 53.34 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.553 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.414 ' CG2' ' OD1' ' A' ' 9' ' ' ASP . 9.0 t -150.53 148.91 29.26 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.868 0.366 . . . . 0.0 110.824 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -89.43 -7.12 55.79 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.861 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.414 ' OD1' ' CG2' ' A' ' 7' ' ' THR . 55.6 p30 -84.88 4.75 31.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.565 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.35 -36.92 81.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.01 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -62.42 -27.69 69.27 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.957 -179.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.6 mt -67.28 -33.45 75.33 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.844 -0.343 . . . . 0.0 110.306 179.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -61.76 -36.48 81.14 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.77 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.445 ' O ' ' OD1' ' A' ' 17' ' ' ASN . 60.0 ttt85 -59.98 -38.3 82.14 Favored 'General case' 0 N--CA 1.463 0.209 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.382 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.6 mt -64.15 -36.01 82.66 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.521 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -62.99 -37.93 89.11 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -179.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.445 ' OD1' ' O ' ' A' ' 14' ' ' ARG . 55.0 p30 -98.84 14.32 29.32 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.64 0.257 . . . . 0.0 111.395 -179.174 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.52 -37.87 85.28 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.417 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 90.7 mtm180 -68.14 146.1 53.75 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.783 0.325 . . . . 0.0 110.342 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -134.24 148.2 50.8 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.022 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -64.52 -36.03 82.9 Favored 'General case' 0 C--N 1.345 0.397 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.634 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -64.29 -36.02 82.75 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.528 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.22 -23.65 67.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.16 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -64.0 -36.79 85.14 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.583 -179.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.7 pp -64.91 -24.31 67.49 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.461 -179.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.68 -37.13 82.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.281 -0.418 . . . . 0.0 109.928 179.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -62.08 -38.17 87.81 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.738 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.8 tp -62.02 -39.46 92.35 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.508 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -63.5 -36.82 85.02 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.538 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 75.4 m -62.18 -36.82 83.05 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 121.026 -0.27 . . . . 0.0 110.829 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -61.88 -37.91 86.34 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.435 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.4 -22.12 66.69 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.655 0.264 . . . . 0.0 110.899 -179.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.48 -31.95 70.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.661 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 54.76 40.33 31.87 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.473 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 77.2 m80 55.12 36.77 27.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.227 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 53.9 35.46 21.84 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.306 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -62.37 -39.61 93.72 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 120.904 -0.319 . . . . 0.0 111.016 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -62.42 -36.78 83.45 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.984 -179.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.68 -35.96 81.36 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.798 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.77 -27.55 68.82 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.791 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -66.04 -27.11 67.85 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.566 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 46.3 mmm-85 -62.71 -36.24 82.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.364 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -67.1 -22.43 65.82 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.643 0.259 . . . . 0.0 111.034 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.04 -23.74 65.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.6 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.8 mt -65.99 -29.56 69.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.349 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.11 -37.74 86.27 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.561 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.12 -36.93 81.05 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.551 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.436 ' O ' ' OD1' ' A' ' 51' ' ' ASP . 68.5 mttm -62.99 -36.5 83.72 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.822 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 94.0 mt -62.83 -36.49 83.36 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.614 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.53 -25.31 67.97 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.393 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 48' ' ' LYS . 96.5 m-20 54.21 37.47 27.3 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.637 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 92.3 t80 . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.427 179.914 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.343 0 N-CA-C 109.524 -1.43 . . . . 0.0 109.524 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.541 ' HG ' ' H ' ' A' ' 4' ' ' GLU . 89.4 p -69.56 -19.96 63.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.741 0.305 . . . . 0.0 110.806 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.1 t 62.36 -1.02 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.356 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.541 ' H ' ' HG ' ' A' ' 2' ' ' SER . 88.5 tt0 -62.69 -38.39 90.21 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.598 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.74 -36.89 84.48 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.615 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.517 ' CD2' ' N ' ' A' ' 6' ' ' LEU . 3.2 mm? -63.69 -36.72 84.77 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.6 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.0 m -61.74 137.91 58.28 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.13 5.03 4.75 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 -179.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 54.0 p-10 -82.21 3.53 26.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.657 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.32 -27.1 68.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.471 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.32 -36.46 82.24 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.481 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.3 mt -64.56 -35.13 79.99 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.317 179.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -65.86 -29.91 70.44 Favored 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 120.99 -0.284 . . . . 0.0 110.573 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -61.98 -36.79 82.52 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.743 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.3 mt -62.97 -36.67 84.25 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.43 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -63.08 -36.29 83.08 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 121.18 -0.208 . . . . 0.0 110.721 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -99.31 16.03 24.32 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 111.577 0.214 . . . . 0.0 111.577 -178.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -59.52 -18.73 42.75 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.449 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -62.12 -22.18 65.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.47 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -61.21 -38.96 88.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.574 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.81 -37.91 86.16 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.459 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.93 -37.98 86.74 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.495 179.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.59 -26.81 68.79 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.514 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.17 -37.99 87.37 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.428 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.461 ' CD1' ' N ' ' A' ' 25' ' ' LEU . 7.9 mp -62.17 -36.71 82.7 Favored 'General case' 0 C--O 1.232 0.145 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.484 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.16 -38.13 87.85 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.309 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.4 tpt180 -60.8 -38.78 86.52 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.397 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.1 mt -63.78 -36.16 82.97 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.211 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.28 -38.31 86.29 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.417 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 74.3 m -61.55 -37.43 83.75 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.672 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -62.48 -37.79 87.36 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.046 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.45 -22.56 66.3 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.717 -179.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.36 -27.77 68.75 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.049 -179.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.425 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 67.1 t0 -60.93 -38.07 84.51 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.586 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -70.37 -29.72 66.46 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.631 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -62.25 -33.68 75.08 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.442 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -59.89 -39.08 84.15 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.441 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.89 -36.96 85.06 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.461 179.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -67.47 -27.9 67.41 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.69 0.281 . . . . 0.0 110.671 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -82.91 -17.88 42.13 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.983 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.24 -40.32 97.1 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 120.774 -0.37 . . . . 0.0 111.563 -179.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.8 ptm180 -71.38 -26.65 62.88 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.961 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -70.76 -21.22 62.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.032 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.46 -26.1 66.52 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.426 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.9 tp -62.47 -39.02 92.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.423 179.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -62.2 -38.39 88.95 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.288 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -66.38 -24.17 66.44 Favored 'General case' 0 C--N 1.333 -0.109 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.496 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt 56.34 42.15 28.13 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 99.8 mt -62.44 -36.33 82.06 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.261 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 58.7 31.55 21.27 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.301 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.78 -36.95 82.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.553 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 88.9 t80 . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.364 -179.976 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.299 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.1 p -63.53 -23.31 67.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.773 0.32 . . . . 0.0 110.426 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 54.1 t -63.31 -40.17 88.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.488 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 53.5 33.12 15.43 Favored 'General case' 0 N--CA 1.463 0.195 0 C-N-CA 120.876 -0.329 . . . . 0.0 110.483 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 68.4 mttm 54.31 37.86 28.29 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.699 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.465 ' C ' ' H ' ' A' ' 8' ' ' ALA . 71.6 mt 59.0 28.69 18.03 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.691 0.281 . . . . 0.0 110.275 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' A' ' 6' ' ' LEU . 5.9 p 59.35 5.01 0.54 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.522 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.465 ' H ' ' C ' ' A' ' 6' ' ' LEU . . . -63.26 -24.2 67.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.367 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 56.9 p30 -88.26 7.98 29.54 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.459 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.81 -34.53 74.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.633 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -62.21 -34.64 76.85 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 120.924 -0.311 . . . . 0.0 110.714 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.6 mt -63.13 -35.53 80.58 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 120.946 -0.302 . . . . 0.0 110.627 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -61.06 -36.88 80.78 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.826 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.426 ' O ' ' OD1' ' A' ' 17' ' ' ASN . 83.8 mtt85 -62.55 -35.96 81.1 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.773 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.1 mt -68.82 -21.85 64.28 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.562 0.22 . . . . 0.0 111.103 -179.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -63.4 -24.8 68.0 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 121.073 -0.251 . . . . 0.0 110.842 -179.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.426 ' OD1' ' O ' ' A' ' 14' ' ' ARG . 55.2 p30 -84.86 -3.4 58.65 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 111.849 0.315 . . . . 0.0 111.849 -179.172 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 42.46 29.68 0.17 Allowed 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.992 0.425 . . . . 0.0 110.394 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.543 ' O ' ' CG ' ' A' ' 20' ' ' HIS . 91.3 mtm180 53.92 41.34 32.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.46 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.543 ' CG ' ' O ' ' A' ' 19' ' ' ARG . 32.3 p80 41.83 19.13 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.73 179.558 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 19' ' ' ARG . 95.7 mt-10 -65.06 -38.82 92.06 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 120.488 -0.485 . . . . 0.0 111.335 179.563 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.54 -38.2 89.07 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.51 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.22 -37.43 82.99 Favored 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.629 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -64.39 -36.51 84.39 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.357 179.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.4 tp -62.79 -38.79 92.03 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 121.04 -0.264 . . . . 0.0 110.444 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.74 -38.44 87.95 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.642 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.42 ' O ' ' OG ' ' A' ' 30' ' ' SER . 59.0 ttp180 -61.73 -38.12 86.74 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 120.656 -0.418 . . . . 0.0 110.482 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.7 mt -64.38 -35.7 81.74 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.513 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -60.85 -38.14 84.5 Favored 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 120.919 -0.312 . . . . 0.0 110.79 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.42 ' OG ' ' O ' ' A' ' 27' ' ' ARG . 91.8 p -61.21 -31.95 71.72 Favored 'General case' 0 C--N 1.334 -0.072 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.646 -179.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.79 -37.35 86.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.374 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.96 -22.1 65.35 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.739 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.14 -25.49 67.77 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.452 -179.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.517 ' OD1' ' CD2' ' A' ' 35' ' ' HIS . 57.6 p30 -65.54 -14.66 61.54 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.93 -179.486 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.517 ' CD2' ' OD1' ' A' ' 34' ' ' ASP . 99.1 m-70 -99.42 5.4 46.32 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.995 0.426 . . . . 0.0 110.06 179.158 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -62.69 -35.51 79.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.196 179.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -61.49 -36.44 80.46 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.504 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -62.26 -36.56 82.42 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.615 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.36 -37.38 85.47 Favored 'General case' 0 N--CA 1.463 0.195 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.536 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.54 -35.86 77.03 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.585 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -65.01 -17.21 64.25 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.86 0.362 . . . . 0.0 110.79 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 73.3 ttp85 -58.5 -34.27 70.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.071 -179.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -57.66 -19.46 26.87 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.712 0.292 . . . . 0.0 110.836 -179.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.26 -22.41 63.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.552 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.47 -27.36 67.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.279 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -62.67 -35.64 80.3 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.59 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' A' ' 47' ' ' ASP . 67.2 t0 -61.21 -37.44 83.01 Favored 'General case' 0 N--CA 1.462 0.162 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.512 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.29 -36.73 83.02 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.584 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.4 tp -62.25 -39.02 91.48 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 120.794 -0.363 . . . . 0.0 110.386 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.24 -37.01 81.53 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.59 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 53.3 t0 55.35 40.59 31.48 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.59 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 50.0 p90 . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.984 -1.007 . . . . 0.0 110.544 179.961 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.319 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.7 t -63.26 -40.95 98.85 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.984 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 55.8 t -66.62 -43.11 90.61 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 120.643 -0.423 . . . . 0.0 111.118 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.436 ' O ' ' O ' ' A' ' 7' ' ' THR . 24.7 pt-20 -72.9 -18.61 61.39 Favored 'General case' 0 C--N 1.334 -0.071 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.873 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -61.91 -38.52 88.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.523 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.2 tp -63.1 -38.94 93.19 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.9 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.436 ' O ' ' O ' ' A' ' 4' ' ' GLU . 99.5 m -107.92 125.89 52.03 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 120.88 0.371 . . . . 0.0 111.024 -179.491 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -82.4 -18.94 40.2 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.039 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -64.5 -25.57 68.05 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.513 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.29 -28.66 69.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.435 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -62.85 -36.13 82.23 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.704 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.5 mt -64.5 -34.78 79.01 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.28 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -63.5 -35.71 81.37 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.815 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -59.96 -37.1 78.6 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.811 -0.355 . . . . 0.0 110.381 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.7 mt -62.01 -36.56 81.91 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.404 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -65.96 -24.26 66.77 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.798 0.332 . . . . 0.0 110.306 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.516 ' ND2' ' OE2' ' A' ' 21' ' ' GLU . 62.3 t30 57.65 39.05 27.8 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.682 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.7 -37.67 87.38 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.329 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 85.1 mtp180 -71.68 154.75 41.15 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.843 0.354 . . . . 0.0 111.042 -179.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 72.3 m80 60.32 29.86 19.35 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.288 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.516 ' OE2' ' ND2' ' A' ' 17' ' ' ASN . 80.8 mm-40 -103.67 -24.19 13.39 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.648 0.261 . . . . 0.0 110.952 179.458 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.98 -37.92 89.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.632 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.7 -37.09 80.48 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.576 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -63.76 -36.46 83.95 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.409 179.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.0 mt -82.5 -16.19 49.65 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.796 0.332 . . . . 0.0 110.405 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.68 -38.34 87.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.702 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 78.9 ttt-85 -61.28 -38.31 86.3 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.261 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 87.6 mt -65.53 -35.13 79.96 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.5 179.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -84.42 -14.96 47.89 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.712 0.291 . . . . 0.0 110.599 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 75.7 m -61.68 -36.38 80.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.519 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -61.95 -36.65 82.04 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.343 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.27 -20.99 63.5 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.996 -179.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.84 -33.33 71.64 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.467 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.428 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 66.8 t0 -61.29 -35.22 76.74 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 121.052 -0.259 . . . . 0.0 110.678 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -87.49 -1.35 57.87 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.666 0.269 . . . . 0.0 110.794 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.434 ' O ' ' OD1' ' A' ' 36' ' ' ASP . 67.9 t0 -61.48 -36.84 81.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.536 179.652 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -61.96 -35.85 79.67 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 121.01 -0.276 . . . . 0.0 110.772 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -60.63 -37.65 82.16 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.398 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -63.54 -21.38 66.31 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.785 0.326 . . . . 0.0 110.832 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.15 -19.47 53.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.895 -179.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -57.8 -15.92 9.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.882 0.372 . . . . 0.0 110.617 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -57.24 -29.95 64.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.098 -179.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -58.05 -19.53 32.35 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.922 -179.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.27 -22.51 63.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.59 -179.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.5 mt -65.94 -28.03 68.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.238 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.01 -37.64 85.62 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.582 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.09 -36.38 79.51 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.74 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt 55.16 38.4 30.38 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.56 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 67.6 mt 56.31 26.86 11.04 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.426 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.36 -32.6 72.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.372 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.43 ' O ' ' O ' ' A' ' 52' ' ' TYR . 53.1 t0 57.72 39.38 27.32 Favored 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 120.894 -0.323 . . . . 0.0 110.376 -179.738 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.52 ' CG ' ' OXT' ' A' ' 52' ' ' TYR . 92.1 t80 . . . . . 0 C--O 1.219 -0.518 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.428 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.29 0 N-CA-C 109.597 -1.401 . . . . 0.0 109.597 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.6 p -63.97 -23.4 67.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.69 0.281 . . . . 0.0 110.768 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.5 m -134.83 -5.36 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.74 179.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -62.6 -38.54 90.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.142 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -62.95 -36.69 84.3 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.641 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.549 ' O ' ' N ' ' A' ' 8' ' ' ALA . 59.9 tp -63.12 -39.37 94.49 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.811 -179.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.48 ' OG1' ' N ' ' A' ' 8' ' ' ALA . 36.4 p 54.67 -79.0 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 120.646 0.26 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.549 ' N ' ' O ' ' A' ' 6' ' ' LEU . . . 54.71 31.99 16.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.65 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 56.9 p30 -86.53 3.03 45.91 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.636 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.9 -37.49 84.8 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.094 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -65.4 -25.83 67.72 Favored 'General case' 0 C--O 1.231 0.13 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.184 -179.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.3 mt -65.19 -36.65 84.87 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.554 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -63.15 -36.66 84.35 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.911 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 63.3 ttm-85 -61.04 -37.74 83.67 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.814 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.6 tp -61.62 -39.32 90.85 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.559 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -71.65 -21.16 61.86 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-O 120.803 0.335 . . . . 0.0 110.298 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -61.69 -35.7 78.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.71 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.03 -35.76 79.53 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 120.966 -0.293 . . . . 0.0 110.665 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.52 ' NH1' ' OE1' ' A' ' 21' ' ' GLU . 60.6 ttt85 -86.77 108.02 18.52 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.84 0.352 . . . . 0.0 110.394 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 56.1 p-80 -82.71 -13.56 56.16 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.538 179.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.52 ' OE1' ' NH1' ' A' ' 19' ' ' ARG . 97.5 mt-10 -65.72 -35.14 79.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.756 179.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.4 -37.42 83.39 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.436 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.58 -36.62 78.95 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 120.699 -0.401 . . . . 0.0 110.495 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -63.34 -36.26 83.11 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.424 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.7 tp -61.3 -37.23 82.46 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 120.992 -0.283 . . . . 0.0 110.443 179.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -59.55 -35.48 74.3 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 121.075 -0.25 . . . . 0.0 110.588 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.8 tpp85 -59.15 -38.75 80.44 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.207 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.44 ' N ' ' CD1' ' A' ' 28' ' ' LEU . 8.2 mp -63.02 -36.37 83.34 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.615 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -60.69 -38.39 84.82 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.315 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 75.7 m -61.89 -36.97 82.86 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.826 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -61.54 -37.72 84.8 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.174 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.32 -22.73 66.29 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.926 -179.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.73 -29.28 69.27 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.797 -179.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.16 -36.22 79.21 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.454 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -60.95 -39.24 88.75 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.732 179.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.417 ' O ' ' OD1' ' A' ' 36' ' ' ASP . 67.9 t0 -61.14 -36.94 81.11 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.59 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -62.08 -36.42 81.6 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.583 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -64.6 -28.14 69.42 Favored 'General case' 0 N--CA 1.461 0.119 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.533 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.36 -38.01 87.91 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.381 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.44 -26.51 68.55 Favored 'General case' 0 N--CA 1.462 0.173 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.58 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.12 -38.09 87.63 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.406 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -62.81 -36.48 83.31 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.693 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 29.8 mmtp -69.01 -21.65 64.12 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.743 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.23 -23.76 65.86 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.389 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.2 tp -62.29 -38.95 91.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.441 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.58 -36.79 83.84 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.493 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -62.02 -35.91 79.98 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.405 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 98.5 mttt 59.04 39.67 23.1 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.735 179.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -89.65 -11.81 41.43 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 178.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.41 -36.55 80.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.683 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.524 ' O ' ' CG ' ' A' ' 52' ' ' TYR . 49.7 t0 58.4 37.69 25.77 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 120.889 -0.325 . . . . 0.0 110.614 -179.723 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.524 ' CG ' ' O ' ' A' ' 51' ' ' ASP . 45.4 m-85 . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.174 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.281 0 N-CA-C 109.592 -1.403 . . . . 0.0 109.592 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.2 m -62.38 -37.51 86.02 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 121.144 -0.222 . . . . 0.0 110.882 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.7 m -135.57 -2.73 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 CA-C-O 120.755 0.312 . . . . 0.0 110.629 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.73 -38.46 90.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.527 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -70.49 -22.97 62.6 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.616 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 85.0 mt -94.56 -3.59 49.46 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.556 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 98.7 m -63.09 -43.12 99.38 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.705 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.39 26.45 1.95 Allowed 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.971 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 53.2 p-10 -80.36 1.17 29.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.755 0.312 . . . . 0.0 110.563 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.34 -26.67 68.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.504 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.77 -36.1 81.98 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.544 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 91.7 mt -68.83 -25.22 64.56 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-O 120.737 0.303 . . . . 0.0 110.377 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -61.26 -36.89 81.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.634 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 92.0 mtm180 -62.53 -36.18 81.76 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.666 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.2 tp -61.91 -39.05 90.68 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.391 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -62.41 -36.97 84.01 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.658 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.46 -36.91 83.93 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.666 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.95 -36.41 83.36 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.671 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 76.7 mtp85 -69.9 144.76 52.36 Favored 'General case' 0 C--O 1.231 0.126 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.491 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 61.9 m170 56.29 32.35 20.25 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.626 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -64.94 -40.4 94.97 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 120.741 -0.384 . . . . 0.0 111.407 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.4 pm0 -65.26 -19.21 65.86 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-O 120.719 0.295 . . . . 0.0 111.069 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.55 -27.77 68.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.541 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.1 -38.77 90.15 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.332 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 87.1 mt -65.25 -35.82 82.21 Favored 'General case' 0 CA--C 1.528 0.114 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.338 179.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.38 -37.81 87.16 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.574 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.417 ' O ' ' OG ' ' A' ' 30' ' ' SER . 44.2 mmm-85 -62.72 -37.22 85.66 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 120.724 -0.391 . . . . 0.0 110.608 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.0 mt -64.33 -38.0 89.49 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.593 179.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -64.86 -36.71 85.24 Favored 'General case' 0 C--O 1.233 0.191 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.778 179.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.417 ' OG ' ' O ' ' A' ' 27' ' ' ARG . 97.0 p -63.44 -23.3 67.34 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.74 0.305 . . . . 0.0 110.678 -179.72 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -62.96 -37.88 88.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.165 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.1 -22.27 66.75 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.051 -179.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.444 ' O ' ' OD1' ' A' ' 36' ' ' ASP . . . -60.17 -35.85 76.27 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.566 -0.454 . . . . 0.0 110.413 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.427 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 59.7 t0 -70.82 -29.48 65.65 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.647 179.66 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -93.92 1.54 56.31 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.53 -179.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.444 ' OD1' ' O ' ' A' ' 33' ' ' ALA . 51.0 p30 -81.22 -1.82 46.32 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.516 -0.473 . . . . 0.0 110.286 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -62.49 -29.21 70.38 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -61.57 -38.13 86.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.266 179.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.22 -35.76 79.88 Favored 'General case' 0 C--N 1.333 -0.132 0 C-N-CA 120.931 -0.308 . . . . 0.0 110.625 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.47 -26.63 68.02 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.407 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.46 -37.79 87.3 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.32 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -61.32 -38.61 87.47 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.551 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -70.41 -22.91 62.68 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.625 0.25 . . . . 0.0 111.003 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.07 -27.7 68.54 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.673 -179.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.496 ' N ' ' CD1' ' A' ' 45' ' ' LEU . 7.7 mp -62.76 -36.75 84.07 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.539 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.35 -36.61 82.76 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.685 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -63.74 -26.52 68.68 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.409 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -87.91 -2.43 58.61 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.208 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 68.0 mt 57.54 28.35 15.45 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.409 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.73 -26.81 68.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.517 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.43 ' O ' ' OD1' ' A' ' 51' ' ' ASP . 67.8 t0 -61.49 -37.76 84.83 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.916 -0.314 . . . . 0.0 110.72 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 92.0 t80 . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.429 179.838 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.387 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.0 p -63.49 -24.13 67.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.947 0.403 . . . . 0.0 110.583 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 54.3 t -65.65 -40.07 86.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.192 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.79 -39.29 93.79 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.722 -178.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.552 ' C ' ' H ' ' A' ' 7' ' ' THR . 16.8 ptpt -84.08 -34.81 24.11 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.702 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.1 tp 51.27 5.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.054 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.552 ' H ' ' C ' ' A' ' 5' ' ' LYS . 81.9 p -134.82 159.29 41.85 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.842 0.353 . . . . 0.0 110.722 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -91.29 -0.68 57.71 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.456 179.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -62.09 -29.64 70.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.923 -179.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.62 -36.6 79.01 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.641 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.76 -36.57 83.5 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.524 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.8 mt -67.9 -28.51 67.57 Favored 'General case' 0 N--CA 1.463 0.195 0 C-N-CA 120.951 -0.3 . . . . 0.0 110.477 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -61.54 -36.84 81.71 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.592 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -60.98 -38.07 84.67 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.741 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.476 ' CD1' ' N ' ' A' ' 15' ' ' LEU . 7.9 mp -62.28 -37.12 84.29 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.771 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.23 -37.17 84.35 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.478 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.85 -36.32 82.87 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.459 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -68.73 157.04 37.15 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.8 ptm180 -149.75 170.55 18.47 Favored 'General case' 0 C--N 1.344 0.352 0 CA-C-N 118.171 0.441 . . . . 0.0 110.648 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.52 ' CE1' ' CB ' ' A' ' 23' ' ' ALA . 37.6 t-80 71.88 15.51 5.72 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.172 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -70.17 -35.89 74.3 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.778 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.61 -28.43 69.89 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.915 0.388 . . . . 0.0 110.556 -179.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.52 ' CB ' ' CE1' ' A' ' 20' ' ' HIS . . . -61.24 -23.01 65.33 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.453 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -62.54 -37.09 84.75 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.557 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 86.7 mt -64.23 -36.1 82.98 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.118 179.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -66.4 -35.28 79.91 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.41 178.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 -65.66 -27.33 68.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.424 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 61.1 tp -61.25 -39.18 89.37 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.315 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -63.34 -36.8 84.9 Favored 'General case' 0 N--CA 1.462 0.133 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.554 179.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 75.2 m -61.84 -36.36 80.97 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.989 -0.284 . . . . 0.0 110.671 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -61.38 -36.94 81.63 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.483 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.69 -21.47 64.48 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.959 -179.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.407 ' O ' ' CG ' ' A' ' 36' ' ' ASP . . . -59.89 -33.86 72.4 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.539 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.437 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 58.0 t0 -62.57 -23.75 67.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.806 0.336 . . . . 0.0 110.385 179.709 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 63.1 m170 -84.98 1.15 48.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.385 -179.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.407 ' CG ' ' O ' ' A' ' 33' ' ' ALA . 48.9 p-10 -79.45 -0.55 33.52 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 120.506 -0.477 . . . . 0.0 110.261 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -62.44 -28.42 69.79 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.936 -179.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.32 -35.93 80.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.575 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.13 -35.38 78.58 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 120.932 -0.307 . . . . 0.0 110.672 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.5 -25.99 67.62 Favored 'General case' 0 N--CA 1.462 0.159 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.572 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -62.13 -38.03 87.4 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.14 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -61.3 -37.71 84.22 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.414 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt -66.56 -23.01 66.15 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 120.664 0.268 . . . . 0.0 111.124 -179.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.22 -23.19 65.44 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.6 -179.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.4 mt -62.98 -36.43 83.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.454 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.51 -38.0 88.23 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 120.751 -0.379 . . . . 0.0 110.407 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.427 ' OD1' ' O ' ' A' ' 47' ' ' ASP . 67.2 t0 -61.59 -36.9 81.99 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.556 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 98.2 mttt 55.32 37.76 29.37 Favored 'General case' 0 N--CA 1.462 0.162 0 C-N-CA 120.975 -0.29 . . . . 0.0 110.565 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.4 tp -62.96 -38.87 92.8 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.505 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.09 -37.01 81.21 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.811 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.5 -37.03 82.18 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.706 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 91.2 t80 . . . . . 0 C--O 1.221 -0.414 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.458 179.985 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 53.3 t . . . . . 0 CA--C 1.533 0.324 0 CA-C-O 120.402 0.144 . . . . 0.0 110.694 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -67.26 -28.2 67.83 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 120.852 -0.339 . . . . 0.0 111.026 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -70.41 -24.89 63.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.721 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 84.9 mt -94.56 -3.94 48.83 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.522 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.2 p 57.47 15.58 2.81 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.542 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.44 -23.26 67.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.646 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 55.4 p30 -84.21 3.69 34.06 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.88 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.14 -37.68 83.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.643 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -64.29 -35.51 81.08 Favored 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 120.916 -0.314 . . . . 0.0 110.526 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.7 mt -63.97 -35.23 80.0 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.737 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -62.8 -37.35 86.37 Favored 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.822 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -61.57 -38.4 87.38 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.442 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.7 mt -63.64 -35.44 80.52 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 121.065 -0.254 . . . . 0.0 110.428 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.68 -36.48 80.98 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.649 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -61.83 -36.63 81.75 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.46 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -63.22 -35.7 81.19 Favored 'General case' 0 CA--C 1.528 0.106 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.627 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -65.7 144.13 57.1 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.875 0.369 . . . . 0.0 110.472 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.603 ' ND1' ' N ' ' A' ' 21' ' ' GLU . 62.9 t-80 -159.37 174.26 15.0 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.07 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.603 ' N ' ' ND1' ' A' ' 20' ' ' HIS . 97.4 mt-10 -62.75 -36.86 84.42 Favored 'General case' 0 C--N 1.34 0.159 0 C-N-CA 120.266 -0.574 . . . . 0.0 110.036 179.605 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.18 -37.66 88.09 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.14 179.411 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.24 -37.34 82.72 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 120.681 -0.407 . . . . 0.0 110.675 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -63.81 -37.0 85.75 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.595 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.3 mt -80.95 -16.88 52.28 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.744 0.307 . . . . 0.0 110.371 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.42 -38.28 89.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.568 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 59.2 ttt85 -61.67 -38.05 86.33 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.61 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.616 HD22 ' N ' ' A' ' 28' ' ' LEU . 3.2 mm? -63.51 -37.17 86.27 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.508 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -85.67 -15.45 42.32 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 121.016 -0.274 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.2 p -66.32 -20.81 66.19 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.579 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.419 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 88.5 tt0 -62.14 -39.2 91.77 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.432 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -81.5 -20.62 39.74 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.738 0.304 . . . . 0.0 110.819 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -91.44 -4.13 55.93 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.402 -179.351 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' A' ' 31' ' ' GLU . 55.1 p30 -80.93 1.08 32.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.021 -179.582 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 50.3 m80 -98.95 4.2 47.24 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.905 0.383 . . . . 0.0 110.278 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -62.37 -36.66 82.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.578 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.1 ttmm -61.64 -38.57 88.15 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.419 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.8 mmmt -62.38 -36.67 83.0 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.552 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -65.23 -29.37 70.16 Favored 'General case' 0 C--N 1.333 -0.131 0 C-N-CA 120.931 -0.308 . . . . 0.0 110.484 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.95 -24.77 68.04 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.362 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.17 -37.79 86.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.576 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 59.9 ttp180 -61.37 -38.08 85.71 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.638 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -67.61 -23.32 65.36 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.688 0.28 . . . . 0.0 111.154 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.61 -23.44 66.03 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.772 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.7 mt -66.11 -28.72 69.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.378 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 . . . . . 0 C--N 1.332 -0.188 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.608 -179.948 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.534 ' C ' ' H ' ' A' ' 5' ' ' LYS . 9.8 p . . . . . 0 N--CA 1.463 0.207 0 CA-C-O 120.722 0.296 . . . . 0.0 110.533 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 76.8 tt0 60.46 -5.7 0.1 Allowed 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.081 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.534 ' H ' ' C ' ' A' ' 3' ' ' VAL . 73.1 mmtt 56.33 36.41 27.46 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.1 tp -62.93 -39.09 93.51 Favored 'General case' 0 N--CA 1.463 0.195 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.447 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.5 m 51.42 55.38 9.52 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.821 0.343 . . . . 0.0 110.543 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.07 -26.23 68.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.427 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.426 ' OD1' ' O ' ' A' ' 9' ' ' ASP . 67.3 t0 -61.74 -36.66 81.64 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.674 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.59 -37.01 79.94 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 120.821 -0.351 . . . . 0.0 110.641 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.22 -38.5 89.42 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.402 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.4 mt -64.93 -34.98 79.71 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.503 179.598 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -66.01 -28.31 68.78 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.679 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -62.06 -36.55 81.97 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.712 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.629 HD22 ' N ' ' A' ' 15' ' ' LEU . 3.2 mm? -63.19 -36.12 82.57 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.23 179.773 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -65.79 -22.04 66.54 Favored 'General case' 0 C--N 1.333 -0.131 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 54.65 40.07 31.65 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.793 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.519 ' OE1' ' NE2' ' A' ' 20' ' ' HIS . 98.0 mt-10 -62.3 -36.45 82.15 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.622 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 55.37 51.67 12.6 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.046 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.519 ' NE2' ' OE1' ' A' ' 18' ' ' GLU . 92.2 m-70 -66.46 -26.1 67.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.393 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -62.86 -36.88 84.73 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.818 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.426 ' O ' ' OE1' ' A' ' 26' ' ' GLU . 98.6 mt-10 -63.55 -36.85 85.16 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.001 179.521 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.38 -36.06 79.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.655 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -64.77 -28.66 69.73 Favored 'General case' 0 N--CA 1.462 0.166 0 C-N-CA 121.117 -0.233 . . . . 0.0 111.135 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.1 tp -60.68 -39.76 89.64 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.505 -179.591 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.426 ' OE1' ' O ' ' A' ' 22' ' ' GLU . 60.0 mp0 -64.03 -35.35 80.45 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.274 179.503 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -63.52 -35.71 81.38 Favored 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.797 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.2 tp -60.9 -39.61 89.97 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.634 -0.427 . . . . 0.0 110.464 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.0 mtmm -63.15 -36.31 83.19 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.28 179.452 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 74.5 m -61.71 -36.53 81.19 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.663 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -61.55 -37.61 84.43 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.119 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.19 -21.06 64.8 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.72 0.295 . . . . 0.0 110.761 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.11 -32.55 71.1 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.57 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -61.0 -36.95 80.82 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.472 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 74.5 m80 -65.57 -34.77 79.02 Favored 'General case' 0 C--N 1.333 -0.113 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.299 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -63.14 -26.06 68.64 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.712 0.291 . . . . 0.0 110.524 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -60.57 -38.47 84.68 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.505 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -62.5 -36.17 81.68 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.254 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -62.46 -27.89 69.43 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.771 0.319 . . . . 0.0 110.672 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.98 -18.28 32.56 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.118 -179.152 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -58.08 -20.23 38.09 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.206 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -62.95 -35.81 81.37 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.59 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -65.79 -22.18 66.55 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.744 0.307 . . . . 0.0 110.969 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.73 -23.62 65.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.63 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.5 tp -62.0 -38.95 90.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.332 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 . . . . . 0 C--O 1.233 0.193 0 C-N-CA 120.952 -0.299 . . . . 0.0 110.625 179.992 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 53.4 t . . . . . 0 CA--C 1.532 0.266 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.83 -36.65 83.89 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.711 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -68.59 -23.41 64.47 Favored 'General case' 0 C--O 1.232 0.165 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.9 tp 44.23 28.07 0.26 Allowed 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.411 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.481 ' CG2' ' OD1' ' A' ' 9' ' ' ASP . 95.9 m -115.35 126.79 54.86 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.416 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -112.86 -3.15 14.19 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.183 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.481 ' OD1' ' CG2' ' A' ' 7' ' ' THR . 55.0 p30 -86.09 4.14 39.45 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.809 0.338 . . . . 0.0 110.808 -179.578 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.39 -25.54 67.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.594 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -63.57 -36.4 83.66 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.672 -179.388 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.1 mt -63.39 -38.21 90.25 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.626 -178.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.435 ' OE1' ' O ' ' A' ' 9' ' ' ASP . 25.4 mp0 -64.02 -37.25 86.74 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.42 -179.69 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.462 ' NH2' ' CD ' ' A' ' 26' ' ' GLU . 78.0 mtm180 -62.56 -36.47 82.77 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 120.449 -0.5 . . . . 0.0 110.625 -179.708 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.6 tp -62.01 -38.84 90.16 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 120.726 -0.389 . . . . 0.0 110.392 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -64.98 -26.14 68.16 Favored 'General case' 0 C--O 1.231 0.117 0 C-N-CA 120.834 -0.347 . . . . 0.0 110.611 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 54.43 39.58 31.13 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.41 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.98 -38.3 88.05 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.765 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 90.6 mtm180 -121.71 129.69 52.91 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.867 0.365 . . . . 0.0 110.624 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -69.58 -35.61 75.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.21 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 23.4 pm0 -67.05 -20.54 65.85 Favored 'General case' 0 C--O 1.232 0.136 0 C-N-CA 120.936 -0.305 . . . . 0.0 111.603 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.83 -38.34 87.8 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.445 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.47 -36.49 80.58 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.6 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -63.38 -36.0 82.25 Favored 'General case' 0 N--CA 1.462 0.167 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.811 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 90.2 mt -68.02 -25.13 65.23 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 120.971 -0.292 . . . . 0.0 110.629 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.462 ' CD ' ' NH2' ' A' ' 14' ' ' ARG . 88.5 tt0 -60.81 -37.85 83.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.775 -179.504 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 91.5 mtm180 -63.22 -36.77 84.76 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.697 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.622 HD22 ' N ' ' A' ' 28' ' ' LEU . 3.2 mm? -63.19 -36.62 84.25 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.544 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.19 -38.77 87.73 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.661 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 94.4 p -62.23 -30.22 70.94 Favored 'General case' 0 C--N 1.334 -0.068 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.633 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -62.84 -39.49 94.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.807 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.63 -36.67 81.41 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.059 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -95.32 22.33 6.99 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 111.604 0.224 . . . . 0.0 111.604 -179.078 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 53.6 p-10 -81.68 2.66 28.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.784 0.326 . . . . 0.0 110.467 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 50.8 m80 -98.09 6.29 47.73 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.98 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 56.0 p30 -85.88 3.13 43.14 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.342 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.11 -36.51 81.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.72 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -61.14 -38.26 85.79 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.353 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.43 -35.63 79.85 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.526 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.72 -26.69 68.21 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.481 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -62.13 -38.02 87.35 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 -62.17 -36.59 82.34 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.301 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -62.83 -36.82 84.45 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.621 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.39 -21.61 60.16 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.2 -178.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.4 mt -65.28 -29.7 70.49 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.27 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 . . . . . 0 CA--C 1.531 0.225 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.235 179.941 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.4 m . . . . . 0 N--CA 1.468 0.45 0 CA-C-O 120.812 0.339 . . . . 0.0 110.49 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -65.84 -28.97 69.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.618 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.19 -37.12 84.06 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.699 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.631 ' N ' HD12 ' A' ' 6' ' ' LEU . 7.9 mp -63.11 -36.94 85.26 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.754 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 73.2 p -84.89 -9.06 58.49 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.745 0.307 . . . . 0.0 110.724 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.94 -25.75 68.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.426 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -62.95 -29.36 70.74 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.534 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.61 -27.63 68.79 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.487 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.37 -36.65 82.92 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.671 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.7 mt -67.89 -28.66 67.7 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 120.924 -0.311 . . . . 0.0 110.349 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.1 tp-100 -61.79 -36.34 80.8 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.456 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 42.6 ttm105 -60.74 -37.8 82.99 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.529 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.611 HD22 ' N ' ' A' ' 15' ' ' LEU . 3.3 mm? -62.63 -36.87 84.17 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 120.594 -0.443 . . . . 0.0 110.306 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -61.86 -38.95 90.18 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.431 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -79.37 -12.68 59.91 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.821 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.37 -36.84 85.04 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.411 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 56.23 38.05 29.43 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.93 0.395 . . . . 0.0 110.325 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -61.9 -38.61 89.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.832 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -62.17 -37.65 86.06 Favored 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.856 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.03 -36.01 83.01 Favored 'General case' 0 N--CA 1.462 0.145 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.145 179.505 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.63 -26.16 67.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.498 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -62.11 -37.16 84.05 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.628 ' N ' HD22 ' A' ' 25' ' ' LEU . 3.2 mm? -61.98 -36.99 83.12 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.254 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.58 -36.34 83.48 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.009 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -68.4 -18.3 64.42 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -179.219 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 91.6 mt -63.98 -28.9 70.13 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 120.889 -0.324 . . . . 0.0 111.678 -179.101 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 63.2 pttt -55.23 -29.93 58.99 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 120.393 -0.523 . . . . 0.0 110.706 -178.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 73.7 m -61.67 -37.41 83.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.52 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -62.83 -37.02 85.16 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.127 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.57 -20.46 63.32 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.888 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.8 -33.96 72.42 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.382 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.79 -36.42 81.05 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.847 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -88.4 -8.48 54.95 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.687 0.279 . . . . 0.0 110.853 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -74.44 -13.16 60.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.442 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.2 pttm -60.52 -26.82 67.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -62.3 -36.89 83.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.403 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.5 -33.8 76.38 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 121.095 -0.242 . . . . 0.0 110.677 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.55 -25.66 66.33 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 120.954 -0.298 . . . . 0.0 110.966 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.03 -36.37 81.35 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.492 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -61.68 -37.92 85.87 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.512 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -66.62 -22.89 66.12 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.033 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.25 -23.36 65.59 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.679 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.6 tp -61.8 -39.23 91.02 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.486 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 CA--C 1.529 0.163 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.545 -179.948 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 53.7 t . . . . . 0 CA--C 1.531 0.231 0 CA-C-O 120.662 0.268 . . . . 0.0 110.302 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -59.97 -35.32 74.73 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.845 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -60.75 -37.57 82.25 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 120.952 -0.299 . . . . 0.0 111.296 -179.162 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.579 ' N ' HD12 ' A' ' 6' ' ' LEU . 8.6 mp -62.94 -37.11 85.72 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.72 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 76.6 p -81.87 -11.39 58.95 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.803 0.335 . . . . 0.0 110.645 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 53.03 26.97 5.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.526 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -62.56 -35.28 78.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.555 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.93 -28.55 69.02 Favored 'General case' 0 C--O 1.232 0.178 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.662 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -68.03 -27.94 66.96 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.367 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.7 mt -63.18 -38.38 90.93 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.038 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -65.0 -36.53 84.7 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.809 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 77.4 mtp85 -62.29 -36.75 83.07 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.524 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.6 mt -63.29 -36.28 83.15 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.275 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -65.61 -24.57 67.09 Favored 'General case' 0 C--N 1.334 -0.084 0 CA-C-O 120.783 0.325 . . . . 0.0 110.564 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 32.6 m120 55.57 38.7 30.54 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.417 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.19 -37.91 87.11 Favored 'General case' 0 N--CA 1.463 0.187 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.488 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 66.45 96.53 0.05 Allowed 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.3 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -88.98 -3.97 58.57 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.422 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -64.65 -36.91 85.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.505 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -65.88 -34.89 79.18 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.868 0.366 . . . . 0.0 110.242 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.12 -26.87 67.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.706 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -62.95 -36.55 83.83 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.421 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.3 tp -62.2 -38.9 90.9 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.91 -37.98 86.65 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.259 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 72.0 ttp85 -61.48 -37.67 84.49 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.15 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.3 tp -62.05 -38.68 89.67 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.262 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -61.38 -38.94 88.84 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.623 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 95.6 p -62.95 -30.33 71.49 Favored 'General case' 0 C--O 1.231 0.092 0 C-N-CA 120.801 -0.359 . . . . 0.0 110.529 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -62.66 -39.63 94.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.756 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.78 -36.9 82.42 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.894 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -96.37 23.04 7.09 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 120.632 0.254 . . . . 0.0 111.223 -179.46 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.503 ' OD1' ' CE1' ' A' ' 35' ' ' HIS . 66.1 t0 -68.92 129.43 39.91 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.835 0.35 . . . . 0.0 110.528 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.503 ' CE1' ' OD1' ' A' ' 34' ' ' ASP . 25.0 m80 65.41 4.12 2.59 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.189 -179.418 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -89.92 -10.86 43.57 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.039 0.447 . . . . 0.0 109.883 179.088 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -62.46 -36.52 82.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.493 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -62.21 -36.48 82.06 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.501 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.96 -38.08 87.16 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.392 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.93 -37.18 81.41 Favored 'General case' 0 N--CA 1.462 0.175 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.317 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -63.55 -35.71 81.39 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.47 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -62.52 -36.91 84.07 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.558 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.476 ' NZ ' ' OE1' ' A' ' 46' ' ' GLU . 58.8 tptt -62.28 -37.27 84.88 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.433 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.12 -20.01 49.71 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.775 0.321 . . . . 0.0 111.043 -178.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.3 tp -61.17 -39.01 88.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.432 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.476 ' OE1' ' NZ ' ' A' ' 43' ' ' LYS . 98.9 mt-10 . . . . . 0 CA--C 1.529 0.146 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.413 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 53.3 t . . . . . 0 CA--C 1.531 0.233 0 N-CA-C 110.575 -0.157 . . . . 0.0 110.575 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -62.24 -38.88 90.93 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.409 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -66.34 -28.76 68.92 Favored 'General case' 0 C--N 1.333 -0.125 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.638 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.4 tp -62.43 -39.1 92.22 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.708 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 75.7 p -82.57 -12.18 57.91 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.797 0.332 . . . . 0.0 110.614 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 46.67 28.11 0.75 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.48 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -64.14 -27.06 68.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.536 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.44 -28.31 69.18 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.647 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.39 -36.68 83.07 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.694 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.1 mt -63.96 -36.27 83.42 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.362 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.519 ' NE2' ' OE2' ' A' ' 22' ' ' GLU . 53.5 tt0 -62.32 -36.44 82.17 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.47 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.08 -34.92 77.19 Favored 'General case' 0 C--N 1.333 -0.143 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.569 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.4 tp -59.9 -38.14 81.43 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -60.6 -36.07 77.67 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 62.5 t30 60.3 40.2 18.01 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 178.536 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -141.78 154.5 45.28 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 96.2 mtt-85 58.06 57.05 4.25 Favored 'General case' 0 C--N 1.349 0.584 0 CA-C-N 118.435 0.561 . . . . 0.0 111.538 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -88.37 -1.71 58.19 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.529 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.7 -38.3 89.86 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.453 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.519 ' OE2' ' NE2' ' A' ' 13' ' ' GLN . 23.4 pt-20 -61.88 -19.95 63.2 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.673 -179.645 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.2 -37.37 82.75 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.713 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.02 -37.33 87.02 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.357 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.635 ' N ' HD12 ' A' ' 25' ' ' LEU . 7.6 mp -64.14 -36.15 83.09 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 121.032 -0.267 . . . . 0.0 110.389 179.584 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.08 -38.16 87.76 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.469 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 89.3 mmt-85 -82.43 -17.43 45.42 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 59.8 tp -63.19 -40.32 97.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.419 -179.345 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -67.63 -22.73 65.32 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 120.546 -0.462 . . . . 0.0 111.259 -179.281 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 74.3 m -61.76 -37.73 85.38 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.735 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.91 -38.05 89.42 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.3 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.1 -22.48 66.95 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.879 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.41 -31.67 70.61 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.589 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.07 -36.65 80.18 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.621 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -61.12 -39.64 90.78 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 120.691 -0.403 . . . . 0.0 110.698 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.76 -37.17 83.28 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.571 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.21 -36.4 83.5 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.619 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.5 mmtp -65.48 -25.28 67.42 Favored 'General case' 0 C--N 1.334 -0.108 0 C-N-CA 120.978 -0.289 . . . . 0.0 110.453 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -62.17 -28.38 69.62 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.547 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.49 -18.12 37.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.056 -179.218 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -58.01 -19.58 32.15 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.247 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 71.6 ttp85 -61.23 -37.8 84.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.387 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -66.86 -22.75 65.98 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.633 0.254 . . . . 0.0 110.977 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.21 -23.58 65.72 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.685 -179.555 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.7 mt -69.55 -21.01 63.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.749 0.309 . . . . 0.0 110.321 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.977 -179.656 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.2 m . . . . . 0 N--CA 1.468 0.447 0 CA-C-O 120.791 0.329 . . . . 0.0 110.677 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.13 -36.65 84.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.781 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt 54.43 37.4 27.62 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.371 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.0 tp -62.84 -39.18 93.59 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 120.946 -0.302 . . . . 0.0 110.61 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.429 ' CG2' ' OD1' ' A' ' 9' ' ' ASP . 8.8 t -152.53 150.01 29.12 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-O 120.718 0.294 . . . . 0.0 110.853 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -82.45 -14.29 55.35 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.429 ' OD1' ' CG2' ' A' ' 7' ' ' THR . 57.0 p30 -89.07 7.04 36.99 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.528 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.99 -36.78 80.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.542 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.4 -36.14 81.4 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.611 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.9 mt -63.72 -36.12 82.82 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.511 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -63.49 -37.07 85.87 Favored 'General case' 0 N--CA 1.462 0.148 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.555 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.524 ' NH1' ' OE2' ' A' ' 26' ' ' GLU . 63.3 ttm-85 -61.46 -37.95 85.46 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 61.6 tp -62.6 -38.37 89.91 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.129 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -61.06 -37.12 81.5 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 116.73 -0.214 . . . . 0.0 110.657 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 41.8 t-20 -79.23 68.84 5.31 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.504 -179.667 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -64.3 -19.41 65.4 Favored 'General case' 0 C--N 1.34 0.171 0 CA-C-O 120.73 0.3 . . . . 0.0 110.911 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 91.6 mtm180 -58.7 141.3 53.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.01 0.433 . . . . 0.0 110.88 -179.334 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 56.1 p-80 -72.09 -8.76 56.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.897 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.15 -37.72 80.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.478 -179.573 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -61.92 -38.48 88.57 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.217 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.41 -37.36 83.2 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.668 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -64.02 -36.61 84.55 Favored 'General case' 0 N--CA 1.462 0.151 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.593 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.1 tp -62.19 -38.71 90.15 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.375 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.524 ' OE2' ' NH1' ' A' ' 14' ' ' ARG . 95.2 mt-10 -86.26 -16.92 36.11 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 120.837 0.351 . . . . 0.0 110.289 179.384 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 63.3 ttm-85 -61.51 -37.74 84.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.423 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.4 tp -62.32 -38.98 91.56 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 120.634 -0.427 . . . . 0.0 110.453 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -63.1 -36.78 84.75 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.957 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 98.0 p -63.53 -21.66 66.45 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.783 0.325 . . . . 0.0 110.72 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.48 -38.13 86.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.252 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.67 -36.39 80.72 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 121.07 -0.252 . . . . 0.0 111.065 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -94.35 21.49 7.01 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -179.097 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.513 ' OD1' ' ND1' ' A' ' 35' ' ' HIS . 53.3 p-10 -83.23 5.2 23.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.186 0.517 . . . . 0.0 109.899 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.513 ' ND1' ' OD1' ' A' ' 34' ' ' ASP . 80.3 m80 -98.43 23.5 8.41 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 178.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 62.04 36.26 15.51 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.973 -179.033 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -63.36 -38.65 91.97 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.083 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -62.71 -37.0 84.78 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 120.894 -0.323 . . . . 0.0 110.67 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.6 -36.1 81.67 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.639 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.04 -25.88 67.93 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.491 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.15 -38.07 87.6 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.436 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.91 -36.28 82.85 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.645 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -70.77 -20.11 62.64 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.689 0.28 . . . . 0.0 110.446 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.74 -24.4 66.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.491 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.6 tp -61.97 -38.81 89.95 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.356 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 . . . . . 0 CA--C 1.53 0.19 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.429 179.915 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.2 p . . . . . 0 N--CA 1.464 0.235 0 CA-C-O 120.634 0.254 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.436 ' O ' ' O ' ' A' ' 7' ' ' THR . 98.5 mt-10 -62.52 -36.16 81.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.691 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.1 -38.15 85.29 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.495 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.6 ' N ' HD22 ' A' ' 6' ' ' LEU . 3.2 mm? -63.01 -36.49 83.73 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.763 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.436 ' O ' ' O ' ' A' ' 4' ' ' GLU . 99.6 m -106.07 125.07 50.55 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 120.856 0.36 . . . . 0.0 110.816 -179.685 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -82.32 -19.23 39.8 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.952 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -64.43 -26.69 68.56 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.462 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.77 -26.91 68.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.421 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.48 -36.66 83.19 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.64 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.2 mt -64.11 -35.88 82.2 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.415 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -63.72 -36.47 83.97 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.504 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.07 -36.75 82.6 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.625 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.6 mt -63.19 -36.37 83.42 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.422 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -65.15 -26.6 68.25 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 120.955 -0.298 . . . . 0.0 110.584 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 54.49 39.41 31.06 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.801 -0.359 . . . . 0.0 110.562 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 55.71 34.31 23.08 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.472 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 44.02 -124.09 0.9 Allowed 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.676 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.436 ' O ' ' OE1' ' A' ' 24' ' ' GLU . 58.8 m170 57.32 28.76 15.74 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.505 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -67.02 -38.51 86.06 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.783 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -66.87 -27.0 67.16 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.817 0.341 . . . . 0.0 110.878 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.04 -37.84 80.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.985 -179.298 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.436 ' OE1' ' O ' ' A' ' 20' ' ' HIS . 60.5 mp0 -63.76 -36.61 84.43 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.32 179.754 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.3 tp -62.97 -38.66 92.02 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 120.981 -0.287 . . . . 0.0 110.513 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.61 -38.28 87.05 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.653 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -63.6 -36.98 85.61 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.659 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.7 mt -85.02 -15.05 45.44 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.821 0.343 . . . . 0.0 110.256 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.53 -38.6 88.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.569 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 91.1 p -62.03 -33.28 74.08 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 120.947 -0.301 . . . . 0.0 110.639 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -62.57 -39.29 93.19 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.296 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -79.89 -18.58 50.26 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.747 0.308 . . . . 0.0 110.949 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.4 -15.33 50.21 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.07 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -91.75 110.14 21.47 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.102 -179.543 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.526 ' O ' ' CG ' ' A' ' 35' ' ' HIS . 48.4 t-80 52.67 28.36 6.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.386 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -156.46 7.34 0.19 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.102 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -61.36 -31.73 71.63 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.234 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt -62.76 -36.87 84.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.833 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.525 ' OE1' ' NH1' ' A' ' 42' ' ' ARG . 80.4 mm-40 -67.46 -24.59 65.63 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.759 0.314 . . . . 0.0 110.631 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.41 -20.74 65.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.466 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.44 -35.87 78.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.805 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.525 ' NH1' ' OE1' ' A' ' 39' ' ' GLU . 88.6 mtm180 -62.13 -37.03 83.6 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.468 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -63.86 -36.08 82.76 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.5 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.55 -22.04 61.13 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.128 -178.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.1 mt -66.27 -28.38 68.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.354 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 . . . . . 0 C--N 1.331 -0.226 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.548 -179.9 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.6 m . . . . . 0 N--CA 1.468 0.459 0 CA-C-O 120.555 0.216 . . . . 0.0 111.302 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.471 ' HG3' ' H ' ' A' ' 6' ' ' LEU . 24.6 pt-20 -66.24 -20.54 66.15 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.82 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt 53.67 41.26 32.12 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.079 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.471 ' H ' ' HG3' ' A' ' 4' ' ' GLU . 94.8 mt -102.34 4.47 39.05 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 120.766 0.317 . . . . 0.0 110.398 179.454 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 98.2 m -112.42 126.35 55.2 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.729 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.43 -20.78 39.66 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.419 ' O ' ' OE1' ' A' ' 13' ' ' GLN . 97.8 m-20 -65.07 -27.3 68.68 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.581 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.88 -23.98 66.64 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.56 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.62 -38.3 89.68 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.302 -179.627 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.2 mt -63.36 -39.16 93.78 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 120.522 -0.471 . . . . 0.0 111.151 -179.391 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.419 ' OE1' ' O ' ' A' ' 9' ' ' ASP . 26.0 mp0 -65.48 -36.94 85.37 Favored 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 120.694 -0.403 . . . . 0.0 110.952 179.674 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.37 -36.66 82.96 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.514 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.8 mt -64.21 -33.41 75.73 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.271 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -60.13 -38.54 83.38 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 121.024 -0.27 . . . . 0.0 110.739 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 63.4 t30 55.94 40.08 30.5 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 120.754 -0.379 . . . . 0.0 110.709 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 54.6 33.08 18.36 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 120.944 -0.303 . . . . 0.0 110.76 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.419 ' HG2' ' H ' ' A' ' 22' ' ' GLU . 43.8 ttm180 46.57 77.68 0.08 Allowed 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.586 179.703 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 34.1 p80 -66.75 -18.14 65.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.332 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -62.9 -38.1 89.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.139 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.419 ' H ' ' HG2' ' A' ' 19' ' ' ARG . 88.5 tt0 -62.4 -37.6 86.43 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.444 179.745 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.97 -29.82 69.9 Favored 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.406 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.88 -38.16 87.27 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.278 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 85.6 mt -64.01 -36.12 82.95 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.347 179.546 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -62.24 -37.31 84.9 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.634 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -61.12 -38.11 85.2 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.598 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.8 tp -62.61 -39.02 92.46 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.336 179.655 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.99 -38.7 89.57 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.699 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 93.5 p -61.89 -33.78 74.83 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.808 0.337 . . . . 0.0 110.62 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.77 -37.75 87.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.363 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.18 -21.24 66.08 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.898 -179.602 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.0 -34.26 73.09 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.448 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -83.87 71.3 10.48 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.862 0.363 . . . . 0.0 110.027 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 63.9 t-80 -155.09 -21.0 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.171 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 55.6 p30 -82.47 0.23 43.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.59 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -63.97 -24.88 67.89 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.602 -179.511 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -58.99 -17.34 24.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.108 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -59.67 -21.26 60.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.432 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.0 -26.55 68.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.379 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.7 -36.25 82.35 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.635 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -62.46 -37.08 84.53 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 120.909 -0.317 . . . . 0.0 110.649 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -68.67 -23.96 64.46 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.709 0.29 . . . . 0.0 111.017 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.11 -22.65 65.99 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.615 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.7 mt -70.55 -20.39 62.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.513 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.078 -179.406 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.8 p . . . . . 0 N--CA 1.464 0.246 0 CA-C-O 120.868 0.366 . . . . 0.0 110.524 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.37 -38.05 88.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.766 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -62.07 -37.0 83.37 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.813 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.643 ' N ' HD12 ' A' ' 6' ' ' LEU . 8.0 mp -63.05 -35.91 81.8 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.731 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.415 ' OG1' ' OD1' ' A' ' 9' ' ' ASP . 70.4 p -78.89 163.32 25.38 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.949 0.404 . . . . 0.0 110.785 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -85.08 -2.68 58.27 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.117 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.415 ' OD1' ' OG1' ' A' ' 7' ' ' THR . 55.4 p30 -80.1 0.35 32.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.805 0.336 . . . . 0.0 110.54 -179.667 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.61 -25.45 68.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.463 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -64.54 -25.8 68.14 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.256 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.4 mt -63.84 -36.86 85.29 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.323 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -65.5 -35.55 81.21 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.506 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 26.0 mmt85 -65.05 -24.58 67.51 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 -179.61 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.7 tp -61.83 -39.77 92.98 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.239 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.426 ' O ' ' OE1' ' A' ' 22' ' ' GLU . 73.1 mmtt -73.46 -21.8 60.35 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -108.5 18.98 20.34 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.292 -179.414 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -61.22 -22.51 64.85 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.044 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 38.2 mmt180 -72.99 138.58 46.11 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.084 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -61.94 -41.15 97.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.062 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.4 -38.31 90.65 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.551 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.426 ' OE1' ' O ' ' A' ' 16' ' ' LYS . 95.7 mt-10 -64.27 -36.62 84.69 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.791 0.329 . . . . 0.0 110.371 179.743 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.2 -37.14 81.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.639 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -64.25 -35.84 82.13 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.733 179.626 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.0 mt -82.54 -15.39 52.52 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.824 0.345 . . . . 0.0 110.628 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -60.97 -37.46 82.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.471 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 -57.38 -23.87 51.83 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.571 -179.235 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.3 tp -62.56 -39.12 92.64 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.711 -0.395 . . . . 0.0 110.381 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -63.26 -36.67 84.44 Favored 'General case' 0 N--CA 1.462 0.166 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.555 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 75.2 m -61.83 -36.85 82.37 Favored 'General case' 0 C--N 1.333 -0.152 0 C-N-CA 121.005 -0.278 . . . . 0.0 110.748 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.06 -37.91 86.79 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.463 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.43 -22.35 66.83 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.645 0.259 . . . . 0.0 110.903 -179.566 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.2 -33.09 71.74 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.816 -0.353 . . . . 0.0 110.501 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 35' ' ' HIS . 65.8 t0 -64.94 137.02 57.48 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.428 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.522 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 22.1 m80 67.12 1.06 2.24 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.144 -179.224 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -70.06 -33.79 72.37 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 178.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -68.5 -22.94 64.51 Favored 'General case' 0 N--CA 1.461 0.088 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.456 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp -66.08 -24.44 66.71 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.248 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.02 -35.12 79.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.705 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.16 -24.58 67.26 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 121.031 -0.268 . . . . 0.0 110.862 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -64.97 -25.61 67.94 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.516 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -62.78 -36.28 82.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.673 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 56.9 mtmt -66.94 -22.31 65.94 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.671 0.272 . . . . 0.0 110.922 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.76 -23.7 65.18 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.636 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.8 tp -62.0 -38.87 90.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.48 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 . . . . . 0 CA--C 1.53 0.193 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.49 179.849 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.8 p . . . . . 0 CA--C 1.529 0.146 0 CA-C-O 120.832 0.349 . . . . 0.0 110.571 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -63.67 -36.29 83.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.734 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.3 mmmt -65.23 -27.13 68.45 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.512 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.4 tp -62.44 -39.13 92.34 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.647 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 77.5 p -80.76 163.33 23.58 Favored 'General case' 0 N--CA 1.461 0.107 0 CA-C-O 120.926 0.393 . . . . 0.0 110.808 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.48 -12.38 60.03 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.459 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.27 -35.5 77.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.708 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.06 -26.04 67.36 Favored 'General case' 0 N--CA 1.463 0.195 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.645 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.92 -38.87 90.04 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.671 -0.412 . . . . 0.0 110.227 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.5 mt -65.25 -35.07 79.92 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.254 179.354 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -63.53 -36.24 83.14 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.655 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -60.32 -38.05 82.52 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.655 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 91.9 mt -62.78 -37.67 87.56 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.296 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -63.74 -36.48 84.0 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 120.971 -0.292 . . . . 0.0 110.291 179.691 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 60.7 t30 57.4 35.86 26.45 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.087 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -93.49 -3.72 52.47 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.854 0.359 . . . . 0.0 110.401 179.139 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -64.1 -39.7 94.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.697 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 33.4 m80 61.64 12.14 4.37 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.989 -179.597 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -67.12 -37.27 83.59 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.355 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.94 -36.9 84.97 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.798 0.332 . . . . 0.0 110.413 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.1 -37.59 83.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.707 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.16 -36.67 84.81 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.653 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.3 tp -62.07 -36.39 81.51 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.578 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.5 tm-20 -58.88 -34.76 72.01 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.956 -0.298 . . . . 0.0 111.005 -179.405 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.4 mtt85 -61.92 -37.53 85.0 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.762 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.592 HD22 ' N ' ' A' ' 28' ' ' LEU . 3.0 mm? -64.82 -34.6 78.75 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.459 179.524 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.4 ttmm -60.26 -36.76 78.54 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.66 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 94.4 p -61.65 -23.31 65.97 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.686 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.85 -36.74 84.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.284 179.694 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.55 -20.36 63.17 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.908 -179.43 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.78 -33.81 72.19 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.486 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.429 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 67.6 t0 -61.17 -37.2 82.06 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.41 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 64.0 t-80 -61.99 -37.67 85.72 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.469 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.429 ' O ' ' OD1' ' A' ' 36' ' ' ASP . 67.5 t0 -61.43 -37.06 82.14 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 120.829 -0.349 . . . . 0.0 110.554 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -62.08 -36.46 81.74 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 120.899 -0.32 . . . . 0.0 110.62 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -61.15 -38.45 86.47 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.454 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.15 -37.9 86.93 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.441 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.11 -36.88 80.88 Favored 'General case' 0 N--CA 1.463 0.187 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.444 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.78 -36.17 82.25 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.501 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 79.0 ttt-85 -61.26 -37.96 84.97 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.567 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -67.9 -23.35 65.09 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.693 0.282 . . . . 0.0 111.13 -179.632 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.17 -25.89 67.33 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.738 -179.481 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.4 mt -72.73 -17.97 61.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.719 0.295 . . . . 0.0 110.413 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.722 -179.594 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 30.7 m . . . . . 0 N--CA 1.472 0.648 0 N-CA-C 111.511 0.189 . . . . 0.0 111.511 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.448 ' O ' ' O ' ' A' ' 7' ' ' THR . 96.8 mt-10 -62.73 -36.63 83.6 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.904 -0.319 . . . . 0.0 110.85 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.422 ' O ' ' OD2' ' A' ' 9' ' ' ASP . 68.8 mttm -70.42 -20.22 62.93 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 121.11 -0.236 . . . . 0.0 110.999 -179.684 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 83.9 mt -93.44 1.5 56.82 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.287 -179.521 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.448 ' O ' ' O ' ' A' ' 4' ' ' GLU . 13.2 t -151.91 158.79 43.66 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.893 0.378 . . . . 0.0 110.806 179.795 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 55.8 31.31 17.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.483 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.422 ' OD2' ' O ' ' A' ' 5' ' ' LYS . 96.9 m-20 -75.15 -10.05 59.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.559 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.13 -26.72 67.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.127 -179.407 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -62.95 -26.82 69.0 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.978 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.3 mt -64.41 -35.7 81.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.373 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -66.42 -29.83 70.06 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 121.011 -0.275 . . . . 0.0 110.731 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -60.42 -38.68 84.84 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.783 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.1 mt -63.58 -36.64 84.47 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.522 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -62.75 -36.54 83.38 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.73 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 32.5 m120 -67.05 -25.9 66.49 Favored 'General case' 0 C--N 1.333 -0.129 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.71 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 54.95 38.38 30.36 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.803 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 73.1 mtp85 56.03 44.93 24.64 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.806 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 64.1 t-80 -63.84 -26.29 68.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.984 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -58.14 -31.82 67.57 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.774 -178.786 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -54.52 -19.81 6.56 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 120.365 -0.534 . . . . 0.0 110.616 -178.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.81 -24.93 68.0 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.399 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.56 -35.77 81.6 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.751 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.1 tp -61.3 -38.77 88.01 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.579 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.95 -37.97 86.75 Favored 'General case' 0 N--CA 1.463 0.207 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.621 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 78.9 ttt-85 -61.28 -37.63 83.86 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.598 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.3 tp -62.17 -39.1 91.53 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.65 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -62.87 -37.15 85.74 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.038 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 98.4 p -63.43 -22.79 67.09 Favored 'General case' 0 C--N 1.333 -0.118 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.716 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.65 -38.9 92.12 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.529 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.34 -37.88 87.36 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 121.157 -0.217 . . . . 0.0 111.385 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -96.92 21.8 9.18 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 120.774 0.321 . . . . 0.0 111.336 -179.289 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -86.36 107.88 18.2 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.448 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.525 ' O ' ' ND1' ' A' ' 35' ' ' HIS . 59.3 t-80 55.04 31.96 17.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.963 -179.719 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 53.82 35.28 21.16 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.163 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -62.59 -39.64 94.37 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.077 -179.595 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -61.38 -38.77 88.25 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.597 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.39 -36.6 82.81 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 120.95 -0.3 . . . . 0.0 110.996 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.99 -37.46 82.55 Favored 'General case' 0 N--CA 1.463 0.187 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.636 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.58 -35.8 81.7 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.688 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.12 -36.49 81.91 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 121.032 -0.267 . . . . 0.0 110.952 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -66.3 -22.58 66.29 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.714 0.293 . . . . 0.0 111.064 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.77 -23.83 65.29 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.423 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 98.2 mt -64.51 -33.08 75.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.377 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 . . . . . 0 CA--C 1.53 0.208 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.746 -179.72 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.3 m . . . . . 0 N--CA 1.469 0.513 0 CA-C-O 120.781 0.324 . . . . 0.0 110.609 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -63.35 -36.6 84.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.717 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -67.02 -27.15 67.17 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.692 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 86.1 mt -97.16 -0.68 46.5 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.633 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.542 HG22 ' H ' ' A' ' 9' ' ' ASP . 93.8 m -117.86 128.6 55.0 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.817 0.341 . . . . 0.0 110.475 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -115.77 26.31 10.1 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.732 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.542 ' H ' HG22 ' A' ' 7' ' ' THR . 55.0 p30 -82.52 2.39 33.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.852 0.358 . . . . 0.0 110.769 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.18 -27.71 69.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.377 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.61 -36.74 83.74 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.686 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.8 mt -64.2 -36.25 83.45 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.536 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -62.69 -37.44 86.46 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.777 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 78.9 ttt-85 -61.67 -38.49 87.97 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.703 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.6 mt -63.46 -36.93 85.38 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.61 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -72.57 -17.38 61.71 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.883 0.373 . . . . 0.0 110.31 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -61.44 -35.74 78.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.564 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.18 -36.49 82.06 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.812 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -92.4 113.78 26.15 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.532 ' CE1' ' OE2' ' A' ' 21' ' ' GLU . 56.0 p-80 -81.47 -15.96 53.43 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.221 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.532 ' OE2' ' CE1' ' A' ' 20' ' ' HIS . 57.2 mp0 -64.55 -35.83 82.23 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.599 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -61.8 -38.59 88.66 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.154 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.54 -37.13 82.66 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.549 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -63.65 -36.36 83.59 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.616 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 94.7 mt -84.83 -15.59 44.27 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.802 0.334 . . . . 0.0 110.39 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.38 -37.3 82.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.045 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -58.04 -22.2 48.91 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.585 -179.284 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.2 tp -62.3 -38.85 90.97 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.335 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -61.19 -38.26 85.89 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.352 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.4 t -60.99 -39.09 88.32 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 120.859 -0.337 . . . . 0.0 110.649 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.43 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 97.4 mt-10 -63.43 -34.89 78.73 Favored 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.783 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.507 ' O ' ' ND1' ' A' ' 35' ' ' HIS . . . -59.46 -22.95 62.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.21 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.94 -24.06 67.58 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.44 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.43 ' OD1' ' O ' ' A' ' 31' ' ' GLU . 54.5 p30 -77.51 4.19 11.74 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.597 -179.537 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.507 ' ND1' ' O ' ' A' ' 32' ' ' ALA . 52.8 p-80 -62.58 -20.56 64.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.249 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.38 -36.39 80.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.459 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -61.15 -37.97 84.75 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.311 179.684 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.75 -36.76 81.94 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.552 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -61.92 -38.1 87.17 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.019 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.3 -36.17 79.38 Favored 'General case' 0 N--CA 1.462 0.138 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.506 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.16 -36.73 82.74 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.644 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -61.8 -38.21 87.26 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.436 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt -68.04 -22.71 64.95 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.637 0.256 . . . . 0.0 111.016 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.75 -25.89 66.81 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.856 -0.337 . . . . 0.0 110.705 -179.487 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.8 tp -62.16 -39.43 92.62 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.328 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 . . . . . 0 C--O 1.232 0.155 0 C-N-CA 121.027 -0.269 . . . . 0.0 110.872 179.875 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.434 ' C ' ' H ' ' A' ' 5' ' ' LYS . 35.0 m . . . . . 0 CA--C 1.545 0.76 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 76.5 -26.87 0.18 Allowed 'General case' 0 C--N 1.35 0.607 0 CA-C-N 118.482 0.583 . . . . 0.0 110.731 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.434 ' H ' ' C ' ' A' ' 3' ' ' VAL . 48.1 mmtm -102.2 2.49 37.28 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.376 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 85.9 mt -96.24 2.92 53.34 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.553 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.414 ' CG2' ' OD1' ' A' ' 9' ' ' ASP . 9.0 t -150.53 148.91 29.26 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.868 0.366 . . . . 0.0 110.824 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -89.43 -7.12 55.79 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.861 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.414 ' OD1' ' CG2' ' A' ' 7' ' ' THR . 55.6 p30 -84.88 4.75 31.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.565 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.35 -36.92 81.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.01 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -62.42 -27.69 69.27 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.957 -179.493 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.6 mt -67.28 -33.45 75.33 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.844 -0.343 . . . . 0.0 110.306 179.455 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -61.76 -36.48 81.14 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.77 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.445 ' O ' ' OD1' ' A' ' 17' ' ' ASN . 60.0 ttt85 -59.98 -38.3 82.14 Favored 'General case' 0 N--CA 1.463 0.209 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.382 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.6 mt -64.15 -36.01 82.66 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.521 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -62.99 -37.93 89.11 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -179.363 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.445 ' OD1' ' O ' ' A' ' 14' ' ' ARG . 55.0 p30 -98.84 14.32 29.32 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.64 0.257 . . . . 0.0 111.395 -179.174 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.52 -37.87 85.28 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.417 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 90.7 mtm180 -68.14 146.1 53.75 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.783 0.325 . . . . 0.0 110.342 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -134.24 148.2 50.8 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.022 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -64.52 -36.03 82.9 Favored 'General case' 0 C--N 1.345 0.397 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.634 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -64.29 -36.02 82.75 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.528 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.22 -23.65 67.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.16 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -64.0 -36.79 85.14 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.583 -179.556 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.7 pp -64.91 -24.31 67.49 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.461 -179.575 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.68 -37.13 82.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.281 -0.418 . . . . 0.0 109.928 179.654 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -62.08 -38.17 87.81 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.738 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.8 tp -62.02 -39.46 92.35 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.508 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -63.5 -36.82 85.02 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.538 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 75.4 m -62.18 -36.82 83.05 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 121.026 -0.27 . . . . 0.0 110.829 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -61.88 -37.91 86.34 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.435 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.4 -22.12 66.69 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.655 0.264 . . . . 0.0 110.899 -179.605 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.48 -31.95 70.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.661 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 54.76 40.33 31.87 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.473 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 77.2 m80 55.12 36.77 27.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.227 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 53.9 35.46 21.84 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.306 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -62.37 -39.61 93.72 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 120.904 -0.319 . . . . 0.0 111.016 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -62.42 -36.78 83.45 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.984 -179.667 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.68 -35.96 81.36 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.798 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.77 -27.55 68.82 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.791 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -66.04 -27.11 67.85 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.566 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 46.3 mmm-85 -62.71 -36.24 82.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.364 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -67.1 -22.43 65.82 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.643 0.259 . . . . 0.0 111.034 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.04 -23.74 65.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.6 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.8 mt -65.99 -29.56 69.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.349 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 . . . . . 0 CA--C 1.531 0.222 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.561 -179.916 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.1 t . . . . . 0 N--CA 1.465 0.314 0 CA-C-O 121.008 0.432 . . . . 0.0 110.356 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.69 -38.39 90.21 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.598 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.74 -36.89 84.48 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.615 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.62 ' N ' HD22 ' A' ' 6' ' ' LEU . 3.2 mm? -63.69 -36.72 84.77 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.6 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.536 HG22 ' H ' ' A' ' 9' ' ' ASP . 24.0 m -61.74 137.91 58.28 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.13 5.03 4.75 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 -179.172 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.536 ' H ' HG22 ' A' ' 7' ' ' THR . 54.0 p-10 -82.21 3.53 26.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.657 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.32 -27.1 68.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.471 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.32 -36.46 82.24 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.481 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.3 mt -64.56 -35.13 79.99 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.317 179.581 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -65.86 -29.91 70.44 Favored 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 120.99 -0.284 . . . . 0.0 110.573 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -61.98 -36.79 82.52 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.743 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.3 mt -62.97 -36.67 84.25 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.43 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -63.08 -36.29 83.08 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 121.18 -0.208 . . . . 0.0 110.721 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -99.31 16.03 24.32 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 111.577 0.214 . . . . 0.0 111.577 -178.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -59.52 -18.73 42.75 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.449 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -62.12 -22.18 65.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.47 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -61.21 -38.96 88.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.574 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.81 -37.91 86.16 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.459 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.93 -37.98 86.74 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.495 179.736 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.59 -26.81 68.79 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.514 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.17 -37.99 87.37 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.428 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.623 ' N ' HD12 ' A' ' 25' ' ' LEU . 7.9 mp -62.17 -36.71 82.7 Favored 'General case' 0 C--O 1.232 0.145 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.484 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.16 -38.13 87.85 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.309 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.4 tpt180 -60.8 -38.78 86.52 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.397 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.1 mt -63.78 -36.16 82.97 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.211 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.28 -38.31 86.29 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.417 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 74.3 m -61.55 -37.43 83.75 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.672 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -62.48 -37.79 87.36 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.046 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.45 -22.56 66.3 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.717 -179.627 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.36 -27.77 68.75 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.049 -179.51 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.425 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 67.1 t0 -60.93 -38.07 84.51 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.586 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -70.37 -29.72 66.46 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.631 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -62.25 -33.68 75.08 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.442 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -59.89 -39.08 84.15 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.441 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.89 -36.96 85.06 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.461 179.734 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -67.47 -27.9 67.41 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.69 0.281 . . . . 0.0 110.671 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -82.91 -17.88 42.13 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.983 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.24 -40.32 97.1 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 120.774 -0.37 . . . . 0.0 111.563 -179.138 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.8 ptm180 -71.38 -26.65 62.88 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.961 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -70.76 -21.22 62.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.032 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.46 -26.1 66.52 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.426 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.9 tp -62.47 -39.02 92.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.423 179.629 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 . . . . . 0 CA--C 1.53 0.19 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.288 179.94 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 54.1 t . . . . . 0 CA--C 1.532 0.251 0 N-CA-C 110.488 -0.189 . . . . 0.0 110.488 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 53.5 33.12 15.43 Favored 'General case' 0 N--CA 1.463 0.195 0 C-N-CA 120.876 -0.329 . . . . 0.0 110.483 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 68.4 mttm 54.31 37.86 28.29 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.699 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.425 ' C ' ' H ' ' A' ' 8' ' ' ALA . 71.6 mt 59.0 28.69 18.03 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.691 0.281 . . . . 0.0 110.275 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 6' ' ' LEU . 5.9 p 59.35 5.01 0.54 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.522 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.425 ' H ' ' C ' ' A' ' 6' ' ' LEU . . . -63.26 -24.2 67.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.367 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 56.9 p30 -88.26 7.98 29.54 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.459 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.81 -34.53 74.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.633 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -62.21 -34.64 76.85 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 120.924 -0.311 . . . . 0.0 110.714 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.6 mt -63.13 -35.53 80.58 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 120.946 -0.302 . . . . 0.0 110.627 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -61.06 -36.88 80.78 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.826 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.426 ' O ' ' OD1' ' A' ' 17' ' ' ASN . 83.8 mtt85 -62.55 -35.96 81.1 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.773 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.1 mt -68.82 -21.85 64.28 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.562 0.22 . . . . 0.0 111.103 -179.492 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -63.4 -24.8 68.0 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 121.073 -0.251 . . . . 0.0 110.842 -179.278 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.426 ' OD1' ' O ' ' A' ' 14' ' ' ARG . 55.2 p30 -84.86 -3.4 58.65 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 111.849 0.315 . . . . 0.0 111.849 -179.172 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 42.46 29.68 0.17 Allowed 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.992 0.425 . . . . 0.0 110.394 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.543 ' O ' ' CG ' ' A' ' 20' ' ' HIS . 91.3 mtm180 53.92 41.34 32.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.46 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.543 ' CG ' ' O ' ' A' ' 19' ' ' ARG . 32.3 p80 41.83 19.13 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.73 179.558 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 19' ' ' ARG . 95.7 mt-10 -65.06 -38.82 92.06 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 120.488 -0.485 . . . . 0.0 111.335 179.563 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.54 -38.2 89.07 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.51 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.22 -37.43 82.99 Favored 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.629 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -64.39 -36.51 84.39 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.357 179.596 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.4 tp -62.79 -38.79 92.03 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 121.04 -0.264 . . . . 0.0 110.444 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.74 -38.44 87.95 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.642 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 59.0 ttp180 -61.73 -38.12 86.74 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 120.656 -0.418 . . . . 0.0 110.482 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.7 mt -64.38 -35.7 81.74 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.513 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -60.85 -38.14 84.5 Favored 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 120.919 -0.312 . . . . 0.0 110.79 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 91.8 p -61.21 -31.95 71.72 Favored 'General case' 0 C--N 1.334 -0.072 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.646 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.79 -37.35 86.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.374 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.96 -22.1 65.35 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.739 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.14 -25.49 67.77 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.452 -179.232 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 57.6 p30 -65.54 -14.66 61.54 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.93 -179.486 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 49.3 m80 -99.42 5.4 46.32 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.995 0.426 . . . . 0.0 110.06 179.158 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -62.69 -35.51 79.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.196 179.419 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -61.49 -36.44 80.46 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.504 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -62.26 -36.56 82.42 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.615 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.36 -37.38 85.47 Favored 'General case' 0 N--CA 1.463 0.195 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.536 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.54 -35.86 77.03 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.585 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -65.01 -17.21 64.25 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.86 0.362 . . . . 0.0 110.79 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 73.3 ttp85 -58.5 -34.27 70.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.071 -179.311 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -57.66 -19.46 26.87 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.712 0.292 . . . . 0.0 110.836 -179.347 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.26 -22.41 63.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.552 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.47 -27.36 67.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.279 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 . . . . . 0 C--N 1.331 -0.223 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.59 -179.922 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 55.8 t . . . . . 0 CA--C 1.533 0.309 0 CA-C-O 120.232 0.063 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.436 ' O ' ' O ' ' A' ' 7' ' ' THR . 24.7 pt-20 -72.9 -18.61 61.39 Favored 'General case' 0 C--N 1.334 -0.071 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.873 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -61.91 -38.52 88.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.523 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.2 tp -63.1 -38.94 93.19 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.9 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.436 ' O ' ' O ' ' A' ' 4' ' ' GLU . 99.5 m -107.92 125.89 52.03 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 120.88 0.371 . . . . 0.0 111.024 -179.491 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -82.4 -18.94 40.2 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.039 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -64.5 -25.57 68.05 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.513 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.29 -28.66 69.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.435 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -62.85 -36.13 82.23 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.704 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.5 mt -64.5 -34.78 79.01 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.28 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -63.5 -35.71 81.37 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.815 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -59.96 -37.1 78.6 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.811 -0.355 . . . . 0.0 110.381 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.7 mt -62.01 -36.56 81.91 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.404 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -65.96 -24.26 66.77 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.798 0.332 . . . . 0.0 110.306 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.516 ' ND2' ' OE2' ' A' ' 21' ' ' GLU . 62.3 t30 57.65 39.05 27.8 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.682 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.7 -37.67 87.38 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.329 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 85.1 mtp180 -71.68 154.75 41.15 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.843 0.354 . . . . 0.0 111.042 -179.713 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 72.3 m80 60.32 29.86 19.35 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.288 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.516 ' OE2' ' ND2' ' A' ' 17' ' ' ASN . 80.8 mm-40 -103.67 -24.19 13.39 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.648 0.261 . . . . 0.0 110.952 179.458 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.98 -37.92 89.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.632 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.7 -37.09 80.48 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.576 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -63.76 -36.46 83.95 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.409 179.556 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.0 mt -82.5 -16.19 49.65 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.796 0.332 . . . . 0.0 110.405 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.68 -38.34 87.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.702 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 78.9 ttt-85 -61.28 -38.31 86.3 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.261 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 87.6 mt -65.53 -35.13 79.96 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.5 179.528 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -84.42 -14.96 47.89 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.712 0.291 . . . . 0.0 110.599 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 75.7 m -61.68 -36.38 80.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.519 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -61.95 -36.65 82.04 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.343 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.27 -20.99 63.5 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.996 -179.438 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.84 -33.33 71.64 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.467 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.428 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 66.8 t0 -61.29 -35.22 76.74 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 121.052 -0.259 . . . . 0.0 110.678 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -87.49 -1.35 57.87 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.666 0.269 . . . . 0.0 110.794 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.434 ' O ' ' OD1' ' A' ' 36' ' ' ASP . 67.9 t0 -61.48 -36.84 81.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.536 179.652 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -61.96 -35.85 79.67 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 121.01 -0.276 . . . . 0.0 110.772 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -60.63 -37.65 82.16 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.398 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -63.54 -21.38 66.31 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.785 0.326 . . . . 0.0 110.832 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.15 -19.47 53.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.895 -179.462 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -57.8 -15.92 9.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.882 0.372 . . . . 0.0 110.617 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -57.24 -29.95 64.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.098 -179.381 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -58.05 -19.53 32.35 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.922 -179.28 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.27 -22.51 63.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.59 -179.633 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.5 mt -65.94 -28.03 68.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.238 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 . . . . . 0 CA--C 1.53 0.174 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.582 -179.99 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.5 m . . . . . 0 N--CA 1.469 0.496 0 CA-C-O 120.76 0.314 . . . . 0.0 110.74 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -62.6 -38.54 90.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.142 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -62.95 -36.69 84.3 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.641 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.549 ' O ' ' N ' ' A' ' 8' ' ' ALA . 59.9 tp -63.12 -39.37 94.49 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.811 -179.777 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.493 ' OG1' ' N ' ' A' ' 8' ' ' ALA . 36.4 p 54.67 -79.0 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 120.646 0.26 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.549 ' N ' ' O ' ' A' ' 6' ' ' LEU . . . 54.71 31.99 16.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.65 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 56.9 p30 -86.53 3.03 45.91 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.636 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.9 -37.49 84.8 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.094 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -65.4 -25.83 67.72 Favored 'General case' 0 C--O 1.231 0.13 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.184 -179.437 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.3 mt -65.19 -36.65 84.87 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.554 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -63.15 -36.66 84.35 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.911 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 63.3 ttm-85 -61.04 -37.74 83.67 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.814 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.6 tp -61.62 -39.32 90.85 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.559 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -71.65 -21.16 61.86 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-O 120.803 0.335 . . . . 0.0 110.298 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -61.69 -35.7 78.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.71 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.03 -35.76 79.53 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 120.966 -0.293 . . . . 0.0 110.665 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.52 ' NH1' ' OE1' ' A' ' 21' ' ' GLU . 60.6 ttt85 -86.77 108.02 18.52 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.84 0.352 . . . . 0.0 110.394 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 56.1 p-80 -82.71 -13.56 56.16 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.538 179.573 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.52 ' OE1' ' NH1' ' A' ' 19' ' ' ARG . 97.5 mt-10 -65.72 -35.14 79.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.756 179.798 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.4 -37.42 83.39 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.436 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.58 -36.62 78.95 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 120.699 -0.401 . . . . 0.0 110.495 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -63.34 -36.26 83.11 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.424 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.7 tp -61.3 -37.23 82.46 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 120.992 -0.283 . . . . 0.0 110.443 179.72 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -59.55 -35.48 74.3 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 121.075 -0.25 . . . . 0.0 110.588 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.8 tpp85 -59.15 -38.75 80.44 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.207 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.633 ' N ' HD12 ' A' ' 28' ' ' LEU . 8.2 mp -63.02 -36.37 83.34 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.615 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -60.69 -38.39 84.82 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.315 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 75.7 m -61.89 -36.97 82.86 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.826 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -61.54 -37.72 84.8 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.174 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.32 -22.73 66.29 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.926 -179.513 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.73 -29.28 69.27 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.797 -179.607 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.16 -36.22 79.21 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.454 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -60.95 -39.24 88.75 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.732 179.709 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.417 ' O ' ' OD1' ' A' ' 36' ' ' ASP . 67.9 t0 -61.14 -36.94 81.11 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.59 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -62.08 -36.42 81.6 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.583 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -64.6 -28.14 69.42 Favored 'General case' 0 N--CA 1.461 0.119 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.533 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.36 -38.01 87.91 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.381 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.44 -26.51 68.55 Favored 'General case' 0 N--CA 1.462 0.173 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.58 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.12 -38.09 87.63 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.406 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -62.81 -36.48 83.31 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.693 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 29.8 mmtp -69.01 -21.65 64.12 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.743 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.23 -23.76 65.86 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.389 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.2 tp -62.29 -38.95 91.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.441 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 CA--C 1.53 0.187 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.493 -179.953 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.7 m . . . . . 0 N--CA 1.468 0.446 0 CA-C-O 120.755 0.312 . . . . 0.0 110.629 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.73 -38.46 90.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.527 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -70.49 -22.97 62.6 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.616 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 85.0 mt -94.56 -3.59 49.46 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.556 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 98.7 m -63.09 -43.12 99.38 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.705 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.39 26.45 1.95 Allowed 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.971 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 53.2 p-10 -80.36 1.17 29.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.755 0.312 . . . . 0.0 110.563 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.34 -26.67 68.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.504 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.77 -36.1 81.98 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.544 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 91.7 mt -68.83 -25.22 64.56 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-O 120.737 0.303 . . . . 0.0 110.377 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -61.26 -36.89 81.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.634 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 92.0 mtm180 -62.53 -36.18 81.76 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.666 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.2 tp -61.91 -39.05 90.68 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.391 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -62.41 -36.97 84.01 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.658 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.46 -36.91 83.93 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.666 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.95 -36.41 83.36 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.671 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 76.7 mtp85 -69.9 144.76 52.36 Favored 'General case' 0 C--O 1.231 0.126 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.491 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 61.9 m170 56.29 32.35 20.25 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.626 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -64.94 -40.4 94.97 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 120.741 -0.384 . . . . 0.0 111.407 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.4 pm0 -65.26 -19.21 65.86 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-O 120.719 0.295 . . . . 0.0 111.069 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.55 -27.77 68.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.541 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.1 -38.77 90.15 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.332 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 87.1 mt -65.25 -35.82 82.21 Favored 'General case' 0 CA--C 1.528 0.114 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.338 179.558 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.38 -37.81 87.16 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.574 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 44.2 mmm-85 -62.72 -37.22 85.66 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 120.724 -0.391 . . . . 0.0 110.608 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.0 mt -64.33 -38.0 89.49 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.593 179.724 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -64.86 -36.71 85.24 Favored 'General case' 0 C--O 1.233 0.191 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.778 179.705 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 97.0 p -63.44 -23.3 67.34 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.74 0.305 . . . . 0.0 110.678 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -62.96 -37.88 88.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.165 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.1 -22.27 66.75 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.051 -179.412 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.444 ' O ' ' OD1' ' A' ' 36' ' ' ASP . . . -60.17 -35.85 76.27 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.566 -0.454 . . . . 0.0 110.413 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.427 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 59.7 t0 -70.82 -29.48 65.65 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.647 179.66 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -93.92 1.54 56.31 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.53 -179.099 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.444 ' OD1' ' O ' ' A' ' 33' ' ' ALA . 51.0 p30 -81.22 -1.82 46.32 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.516 -0.473 . . . . 0.0 110.286 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -62.49 -29.21 70.38 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -61.57 -38.13 86.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.266 179.708 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.22 -35.76 79.88 Favored 'General case' 0 C--N 1.333 -0.132 0 C-N-CA 120.931 -0.308 . . . . 0.0 110.625 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.47 -26.63 68.02 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.407 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.46 -37.79 87.3 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.32 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -61.32 -38.61 87.47 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.551 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -70.41 -22.91 62.68 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.625 0.25 . . . . 0.0 111.003 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.07 -27.7 68.54 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.673 -179.511 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.638 ' N ' HD12 ' A' ' 45' ' ' LEU . 7.7 mp -62.76 -36.75 84.07 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.539 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 CA--C 1.53 0.189 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.685 179.953 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 54.3 t . . . . . 0 CA--C 1.534 0.328 0 CA-C-O 120.277 0.084 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.79 -39.29 93.79 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.722 -178.797 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.515 ' C ' ' H ' ' A' ' 7' ' ' THR . 16.8 ptpt -84.08 -34.81 24.11 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.702 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.1 tp 51.27 5.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.054 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.515 ' H ' ' C ' ' A' ' 5' ' ' LYS . 81.9 p -134.82 159.29 41.85 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.842 0.353 . . . . 0.0 110.722 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -91.29 -0.68 57.71 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.456 179.525 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -62.09 -29.64 70.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.923 -179.432 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.62 -36.6 79.01 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.641 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.76 -36.57 83.5 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.524 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.8 mt -67.9 -28.51 67.57 Favored 'General case' 0 N--CA 1.463 0.195 0 C-N-CA 120.951 -0.3 . . . . 0.0 110.477 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -61.54 -36.84 81.71 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.592 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -60.98 -38.07 84.67 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.741 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.642 ' N ' HD12 ' A' ' 15' ' ' LEU . 7.9 mp -62.28 -37.12 84.29 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.771 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.23 -37.17 84.35 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.478 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.85 -36.32 82.87 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.459 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -68.73 157.04 37.15 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.8 ptm180 -149.75 170.55 18.47 Favored 'General case' 0 C--N 1.344 0.352 0 CA-C-N 118.171 0.441 . . . . 0.0 110.648 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.52 ' CE1' ' CB ' ' A' ' 23' ' ' ALA . 37.6 t-80 71.88 15.51 5.72 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.172 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -70.17 -35.89 74.3 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.778 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.61 -28.43 69.89 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.915 0.388 . . . . 0.0 110.556 -179.322 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.52 ' CB ' ' CE1' ' A' ' 20' ' ' HIS . . . -61.24 -23.01 65.33 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.453 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -62.54 -37.09 84.75 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.557 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 86.7 mt -64.23 -36.1 82.98 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.118 179.38 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -66.4 -35.28 79.91 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.41 178.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 -65.66 -27.33 68.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.424 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 61.1 tp -61.25 -39.18 89.37 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.315 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -63.34 -36.8 84.9 Favored 'General case' 0 N--CA 1.462 0.133 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.554 179.505 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 75.2 m -61.84 -36.36 80.97 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.989 -0.284 . . . . 0.0 110.671 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -61.38 -36.94 81.63 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.483 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.69 -21.47 64.48 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.959 -179.432 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.407 ' O ' ' CG ' ' A' ' 36' ' ' ASP . . . -59.89 -33.86 72.4 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.539 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.437 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 58.0 t0 -62.57 -23.75 67.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.806 0.336 . . . . 0.0 110.385 179.709 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 63.1 m170 -84.98 1.15 48.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.385 -179.098 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.407 ' CG ' ' O ' ' A' ' 33' ' ' ALA . 48.9 p-10 -79.45 -0.55 33.52 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 120.506 -0.477 . . . . 0.0 110.261 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -62.44 -28.42 69.79 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.936 -179.598 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.32 -35.93 80.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.575 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.13 -35.38 78.58 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 120.932 -0.307 . . . . 0.0 110.672 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.5 -25.99 67.62 Favored 'General case' 0 N--CA 1.462 0.159 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.572 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -62.13 -38.03 87.4 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.14 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -61.3 -37.71 84.22 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.414 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt -66.56 -23.01 66.15 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 120.664 0.268 . . . . 0.0 111.124 -179.655 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.22 -23.19 65.44 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.6 -179.609 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.4 mt -62.98 -36.43 83.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.454 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 . . . . . 0 CA--C 1.53 0.206 0 C-N-CA 120.751 -0.379 . . . . 0.0 110.407 179.85 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.284 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.0 m 55.54 29.4 13.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.666 0.269 . . . . 0.0 110.691 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 53.3 t -65.01 -40.99 90.91 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.694 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -67.26 -28.2 67.83 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 120.852 -0.339 . . . . 0.0 111.026 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -70.41 -24.89 63.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.721 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 84.9 mt -94.56 -3.94 48.83 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.522 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.2 p 57.47 15.58 2.81 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.542 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.44 -23.26 67.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.646 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 55.4 p30 -84.21 3.69 34.06 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.88 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.14 -37.68 83.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.643 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -64.29 -35.51 81.08 Favored 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 120.916 -0.314 . . . . 0.0 110.526 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.7 mt -63.97 -35.23 80.0 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.737 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -62.8 -37.35 86.37 Favored 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.822 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -61.57 -38.4 87.38 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.442 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.7 mt -63.64 -35.44 80.52 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 121.065 -0.254 . . . . 0.0 110.428 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.68 -36.48 80.98 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.649 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -61.83 -36.63 81.75 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.46 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -63.22 -35.7 81.19 Favored 'General case' 0 CA--C 1.528 0.106 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.627 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -65.7 144.13 57.1 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.875 0.369 . . . . 0.0 110.472 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.603 ' ND1' ' N ' ' A' ' 21' ' ' GLU . 62.9 t-80 -159.37 174.26 15.0 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.07 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.603 ' N ' ' ND1' ' A' ' 20' ' ' HIS . 97.4 mt-10 -62.75 -36.86 84.42 Favored 'General case' 0 C--N 1.34 0.159 0 C-N-CA 120.266 -0.574 . . . . 0.0 110.036 179.605 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.18 -37.66 88.09 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.14 179.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.24 -37.34 82.72 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 120.681 -0.407 . . . . 0.0 110.675 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -63.81 -37.0 85.75 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.595 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.3 mt -80.95 -16.88 52.28 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.744 0.307 . . . . 0.0 110.371 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.42 -38.28 89.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.568 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 59.2 ttt85 -61.67 -38.05 86.33 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.61 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.616 HD22 ' N ' ' A' ' 28' ' ' LEU . 3.2 mm? -63.51 -37.17 86.27 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.508 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -85.67 -15.45 42.32 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 121.016 -0.274 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.2 p -66.32 -20.81 66.19 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.579 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.419 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 88.5 tt0 -62.14 -39.2 91.77 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.432 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -81.5 -20.62 39.74 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.738 0.304 . . . . 0.0 110.819 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -91.44 -4.13 55.93 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.402 -179.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' A' ' 31' ' ' GLU . 55.1 p30 -80.93 1.08 32.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.021 -179.582 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 50.3 m80 -98.95 4.2 47.24 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.905 0.383 . . . . 0.0 110.278 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -62.37 -36.66 82.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.578 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.1 ttmm -61.64 -38.57 88.15 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.419 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.8 mmmt -62.38 -36.67 83.0 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.552 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -65.23 -29.37 70.16 Favored 'General case' 0 C--N 1.333 -0.131 0 C-N-CA 120.931 -0.308 . . . . 0.0 110.484 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.95 -24.77 68.04 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.362 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.17 -37.79 86.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.576 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 59.9 ttp180 -61.37 -38.08 85.71 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.638 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -67.61 -23.32 65.36 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.688 0.28 . . . . 0.0 111.154 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.61 -23.44 66.03 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.772 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.7 mt -66.11 -28.72 69.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.378 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.27 -36.33 81.72 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.608 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.52 -36.71 81.31 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.606 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.2 tttm 48.86 32.67 3.87 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.81 0.338 . . . . 0.0 110.271 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 71.6 mt 55.93 29.27 13.93 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.424 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.75 -30.13 70.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.585 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.424 ' O ' ' O ' ' A' ' 52' ' ' TYR . 55.5 p30 -83.65 2.29 38.25 Favored 'General case' 0 C--N 1.334 -0.071 0 CA-C-O 120.723 0.297 . . . . 0.0 110.779 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.424 ' O ' ' O ' ' A' ' 51' ' ' ASP . 89.5 t80 . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.48 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.266 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.9 m 55.07 35.48 24.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.604 0.24 . . . . 0.0 110.579 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.534 ' C ' ' H ' ' A' ' 5' ' ' LYS . 9.8 p -57.0 -37.96 57.5 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.533 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 76.8 tt0 60.46 -5.7 0.1 Allowed 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.081 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.534 ' H ' ' C ' ' A' ' 3' ' ' VAL . 73.1 mmtt 56.33 36.41 27.46 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.1 tp -62.93 -39.09 93.51 Favored 'General case' 0 N--CA 1.463 0.195 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.447 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.5 m 51.42 55.38 9.52 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.821 0.343 . . . . 0.0 110.543 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.07 -26.23 68.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.427 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.426 ' OD1' ' O ' ' A' ' 9' ' ' ASP . 67.3 t0 -61.74 -36.66 81.64 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.674 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.59 -37.01 79.94 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 120.821 -0.351 . . . . 0.0 110.641 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.22 -38.5 89.42 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.402 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.4 mt -64.93 -34.98 79.71 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.503 179.598 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -66.01 -28.31 68.78 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.679 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -62.06 -36.55 81.97 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.712 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.629 HD22 ' N ' ' A' ' 15' ' ' LEU . 3.2 mm? -63.19 -36.12 82.57 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.23 179.773 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -65.79 -22.04 66.54 Favored 'General case' 0 C--N 1.333 -0.131 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 54.65 40.07 31.65 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.793 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.519 ' OE1' ' NE2' ' A' ' 20' ' ' HIS . 98.0 mt-10 -62.3 -36.45 82.15 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.622 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 55.37 51.67 12.6 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.046 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.519 ' NE2' ' OE1' ' A' ' 18' ' ' GLU . 92.2 m-70 -66.46 -26.1 67.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.393 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -62.86 -36.88 84.73 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.818 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.426 ' O ' ' OE1' ' A' ' 26' ' ' GLU . 98.6 mt-10 -63.55 -36.85 85.16 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.001 179.521 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.38 -36.06 79.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.655 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -64.77 -28.66 69.73 Favored 'General case' 0 N--CA 1.462 0.166 0 C-N-CA 121.117 -0.233 . . . . 0.0 111.135 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.1 tp -60.68 -39.76 89.64 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.505 -179.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.426 ' OE1' ' O ' ' A' ' 22' ' ' GLU . 60.0 mp0 -64.03 -35.35 80.45 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.274 179.503 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -63.52 -35.71 81.38 Favored 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.797 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.2 tp -60.9 -39.61 89.97 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.634 -0.427 . . . . 0.0 110.464 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.0 mtmm -63.15 -36.31 83.19 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.28 179.452 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 74.5 m -61.71 -36.53 81.19 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.663 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -61.55 -37.61 84.43 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.119 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.19 -21.06 64.8 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.72 0.295 . . . . 0.0 110.761 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.11 -32.55 71.1 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.57 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -61.0 -36.95 80.82 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.472 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 74.5 m80 -65.57 -34.77 79.02 Favored 'General case' 0 C--N 1.333 -0.113 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.299 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -63.14 -26.06 68.64 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.712 0.291 . . . . 0.0 110.524 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -60.57 -38.47 84.68 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.505 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -62.5 -36.17 81.68 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.254 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -62.46 -27.89 69.43 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.771 0.319 . . . . 0.0 110.672 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.98 -18.28 32.56 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.118 -179.152 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -58.08 -20.23 38.09 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.206 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -62.95 -35.81 81.37 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.59 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -65.79 -22.18 66.55 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.744 0.307 . . . . 0.0 110.969 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.73 -23.62 65.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.63 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.5 tp -62.0 -38.95 90.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.332 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.5 -36.12 81.54 Favored 'General case' 0 C--O 1.233 0.193 0 C-N-CA 120.952 -0.299 . . . . 0.0 110.625 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.2 -36.9 81.16 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.601 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -61.09 -39.15 88.84 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.25 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 93.1 mt -63.63 -35.85 81.89 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 120.806 -0.357 . . . . 0.0 110.404 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 62.37 29.65 17.27 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.735 0.303 . . . . 0.0 110.532 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 56.5 p30 -88.09 4.47 45.23 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.487 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.412 ' CD2' ' OXT' ' A' ' 52' ' ' TYR . 92.4 t80 . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.532 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.3 0 N-CA-C 109.598 -1.401 . . . . 0.0 109.598 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.5 m 55.24 34.45 22.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.652 0.263 . . . . 0.0 110.576 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 53.4 t -63.56 -40.19 88.12 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.389 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.83 -36.65 83.89 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.711 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -68.59 -23.41 64.47 Favored 'General case' 0 C--O 1.232 0.165 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.9 tp 44.23 28.07 0.26 Allowed 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.411 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.481 ' CG2' ' OD1' ' A' ' 9' ' ' ASP . 95.9 m -115.35 126.79 54.86 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.416 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -112.86 -3.15 14.19 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.183 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.481 ' OD1' ' CG2' ' A' ' 7' ' ' THR . 55.0 p30 -86.09 4.14 39.45 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.809 0.338 . . . . 0.0 110.808 -179.578 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.39 -25.54 67.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.594 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -63.57 -36.4 83.66 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.672 -179.388 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.1 mt -63.39 -38.21 90.25 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.626 -178.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.435 ' OE1' ' O ' ' A' ' 9' ' ' ASP . 25.4 mp0 -64.02 -37.25 86.74 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.42 -179.69 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.462 ' NH2' ' CD ' ' A' ' 26' ' ' GLU . 78.0 mtm180 -62.56 -36.47 82.77 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 120.449 -0.5 . . . . 0.0 110.625 -179.708 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.6 tp -62.01 -38.84 90.16 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 120.726 -0.389 . . . . 0.0 110.392 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -64.98 -26.14 68.16 Favored 'General case' 0 C--O 1.231 0.117 0 C-N-CA 120.834 -0.347 . . . . 0.0 110.611 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 54.43 39.58 31.13 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.41 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.98 -38.3 88.05 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.765 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 90.6 mtm180 -121.71 129.69 52.91 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.867 0.365 . . . . 0.0 110.624 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -69.58 -35.61 75.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.21 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 23.4 pm0 -67.05 -20.54 65.85 Favored 'General case' 0 C--O 1.232 0.136 0 C-N-CA 120.936 -0.305 . . . . 0.0 111.603 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.83 -38.34 87.8 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.445 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.47 -36.49 80.58 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.6 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -63.38 -36.0 82.25 Favored 'General case' 0 N--CA 1.462 0.167 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.811 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 90.2 mt -68.02 -25.13 65.23 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 120.971 -0.292 . . . . 0.0 110.629 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.462 ' CD ' ' NH2' ' A' ' 14' ' ' ARG . 88.5 tt0 -60.81 -37.85 83.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.775 -179.504 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 91.5 mtm180 -63.22 -36.77 84.76 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.697 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.622 HD22 ' N ' ' A' ' 28' ' ' LEU . 3.2 mm? -63.19 -36.62 84.25 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.544 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.19 -38.77 87.73 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.661 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 94.4 p -62.23 -30.22 70.94 Favored 'General case' 0 C--N 1.334 -0.068 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.633 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -62.84 -39.49 94.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.807 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.63 -36.67 81.41 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.059 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -95.32 22.33 6.99 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 111.604 0.224 . . . . 0.0 111.604 -179.078 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 53.6 p-10 -81.68 2.66 28.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.784 0.326 . . . . 0.0 110.467 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 50.8 m80 -98.09 6.29 47.73 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.98 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 56.0 p30 -85.88 3.13 43.14 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.342 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.11 -36.51 81.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.72 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -61.14 -38.26 85.79 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.353 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.43 -35.63 79.85 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.526 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.72 -26.69 68.21 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.481 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -62.13 -38.02 87.35 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 -62.17 -36.59 82.34 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.301 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -62.83 -36.82 84.45 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.621 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.39 -21.61 60.16 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.2 -178.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.4 mt -65.28 -29.7 70.49 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.27 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -62.13 -37.86 86.75 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.235 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.08 -36.8 80.6 Favored 'General case' 0 C--N 1.333 -0.136 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.654 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -62.3 -37.12 84.32 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.489 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.8 mt -63.61 -35.78 81.65 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 121.041 -0.264 . . . . 0.0 110.401 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 63.36 28.81 15.68 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 120.953 -0.299 . . . . 0.0 110.604 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.422 ' O ' ' O ' ' A' ' 52' ' ' TYR . 98.1 m-20 -62.06 -36.82 82.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.639 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.514 ' CG ' ' OXT' ' A' ' 52' ' ' TYR . 92.5 t80 . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.486 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.336 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.0 t -154.34 -170.38 3.52 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.4 m -134.19 4.1 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-O 120.812 0.339 . . . . 0.0 110.49 179.553 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -65.84 -28.97 69.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.618 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.19 -37.12 84.06 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.699 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.631 ' N ' HD12 ' A' ' 6' ' ' LEU . 7.9 mp -63.11 -36.94 85.26 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.754 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 73.2 p -84.89 -9.06 58.49 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.745 0.307 . . . . 0.0 110.724 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.94 -25.75 68.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.426 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -62.95 -29.36 70.74 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.534 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.61 -27.63 68.79 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.487 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.37 -36.65 82.92 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.671 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.7 mt -67.89 -28.66 67.7 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 120.924 -0.311 . . . . 0.0 110.349 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.1 tp-100 -61.79 -36.34 80.8 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.456 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 42.6 ttm105 -60.74 -37.8 82.99 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.529 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.611 HD22 ' N ' ' A' ' 15' ' ' LEU . 3.3 mm? -62.63 -36.87 84.17 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 120.594 -0.443 . . . . 0.0 110.306 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -61.86 -38.95 90.18 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.431 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -79.37 -12.68 59.91 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.821 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.37 -36.84 85.04 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.411 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 56.23 38.05 29.43 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.93 0.395 . . . . 0.0 110.325 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -61.9 -38.61 89.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.832 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -62.17 -37.65 86.06 Favored 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.856 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.03 -36.01 83.01 Favored 'General case' 0 N--CA 1.462 0.145 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.145 179.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.63 -26.16 67.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.498 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -62.11 -37.16 84.05 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.628 ' N ' HD22 ' A' ' 25' ' ' LEU . 3.2 mm? -61.98 -36.99 83.12 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.254 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.58 -36.34 83.48 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.009 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -68.4 -18.3 64.42 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -179.219 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 91.6 mt -63.98 -28.9 70.13 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 120.889 -0.324 . . . . 0.0 111.678 -179.101 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 63.2 pttt -55.23 -29.93 58.99 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 120.393 -0.523 . . . . 0.0 110.706 -178.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 73.7 m -61.67 -37.41 83.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.52 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -62.83 -37.02 85.16 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.127 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.57 -20.46 63.32 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.888 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.8 -33.96 72.42 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.382 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.79 -36.42 81.05 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.847 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -88.4 -8.48 54.95 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.687 0.279 . . . . 0.0 110.853 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -74.44 -13.16 60.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.442 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.2 pttm -60.52 -26.82 67.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -62.3 -36.89 83.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.403 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.5 -33.8 76.38 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 121.095 -0.242 . . . . 0.0 110.677 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.55 -25.66 66.33 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 120.954 -0.298 . . . . 0.0 110.966 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.03 -36.37 81.35 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.492 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -61.68 -37.92 85.87 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.512 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -66.62 -22.89 66.12 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.033 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.25 -23.36 65.59 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.679 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.6 tp -61.8 -39.23 91.02 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.486 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.8 -36.38 82.94 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.545 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.59 -36.83 81.8 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 120.959 -0.296 . . . . 0.0 110.758 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.9 mttp 54.12 38.6 29.43 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.357 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 73.3 mt 56.33 31.11 18.02 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.768 0.318 . . . . 0.0 110.351 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.42 -36.64 80.91 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.109 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.428 ' O ' ' OD1' ' A' ' 51' ' ' ASP . 67.8 t0 -60.77 -38.16 84.34 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.088 -179.398 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 . . . . . 0 C--O 1.219 -0.5 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.552 179.914 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.271 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.7 t -61.42 -39.44 90.77 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 122.866 -0.196 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 53.7 t -62.79 -38.94 83.08 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-O 120.662 0.268 . . . . 0.0 110.302 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -59.97 -35.32 74.73 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.845 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -60.75 -37.57 82.25 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 120.952 -0.299 . . . . 0.0 111.296 -179.162 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.579 ' N ' HD12 ' A' ' 6' ' ' LEU . 8.6 mp -62.94 -37.11 85.72 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.72 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 76.6 p -81.87 -11.39 58.95 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.803 0.335 . . . . 0.0 110.645 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 53.03 26.97 5.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.526 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -62.56 -35.28 78.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.555 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.93 -28.55 69.02 Favored 'General case' 0 C--O 1.232 0.178 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.662 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -68.03 -27.94 66.96 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.367 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.7 mt -63.18 -38.38 90.93 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.038 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -65.0 -36.53 84.7 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.809 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 77.4 mtp85 -62.29 -36.75 83.07 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.524 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.6 mt -63.29 -36.28 83.15 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.275 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -65.61 -24.57 67.09 Favored 'General case' 0 C--N 1.334 -0.084 0 CA-C-O 120.783 0.325 . . . . 0.0 110.564 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 32.6 m120 55.57 38.7 30.54 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.417 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.19 -37.91 87.11 Favored 'General case' 0 N--CA 1.463 0.187 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.488 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 66.45 96.53 0.05 Allowed 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.3 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -88.98 -3.97 58.57 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.422 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -64.65 -36.91 85.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.505 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -65.88 -34.89 79.18 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.868 0.366 . . . . 0.0 110.242 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.12 -26.87 67.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.706 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -62.95 -36.55 83.83 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.421 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.3 tp -62.2 -38.9 90.9 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.91 -37.98 86.65 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.259 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 72.0 ttp85 -61.48 -37.67 84.49 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.15 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.3 tp -62.05 -38.68 89.67 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.262 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -61.38 -38.94 88.84 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.623 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 95.6 p -62.95 -30.33 71.49 Favored 'General case' 0 C--O 1.231 0.092 0 C-N-CA 120.801 -0.359 . . . . 0.0 110.529 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -62.66 -39.63 94.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.756 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.78 -36.9 82.42 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.894 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -96.37 23.04 7.09 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 120.632 0.254 . . . . 0.0 111.223 -179.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.503 ' OD1' ' CE1' ' A' ' 35' ' ' HIS . 66.1 t0 -68.92 129.43 39.91 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.835 0.35 . . . . 0.0 110.528 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.503 ' CE1' ' OD1' ' A' ' 34' ' ' ASP . 25.0 m80 65.41 4.12 2.59 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.189 -179.418 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -89.92 -10.86 43.57 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.039 0.447 . . . . 0.0 109.883 179.088 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -62.46 -36.52 82.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.493 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -62.21 -36.48 82.06 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.501 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.96 -38.08 87.16 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.392 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.93 -37.18 81.41 Favored 'General case' 0 N--CA 1.462 0.175 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.317 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -63.55 -35.71 81.39 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.47 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -62.52 -36.91 84.07 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.558 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.476 ' NZ ' ' OE1' ' A' ' 46' ' ' GLU . 58.8 tptt -62.28 -37.27 84.88 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.433 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.12 -20.01 49.71 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.775 0.321 . . . . 0.0 111.043 -178.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.3 tp -61.17 -39.01 88.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.432 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.476 ' OE1' ' NZ ' ' A' ' 43' ' ' LYS . 98.9 mt-10 -62.81 -35.94 81.55 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.413 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -64.65 -24.23 67.52 Favored 'General case' 0 N--CA 1.461 0.114 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.491 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt 56.57 42.46 27.14 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.914 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 97.0 mt -62.25 -36.42 81.96 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.501 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 59.79 30.31 19.88 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 120.774 -0.371 . . . . 0.0 110.498 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 53.2 t0 53.3 39.87 30.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.526 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 91.8 t80 . . . . . 0 C--O 1.221 -0.413 0 CA-C-O 117.947 -1.025 . . . . 0.0 110.441 179.958 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.265 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.7 m 55.19 34.75 23.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.696 0.284 . . . . 0.0 110.544 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 53.3 t -63.81 -39.8 86.73 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.575 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -62.24 -38.88 90.93 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.409 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -66.34 -28.76 68.92 Favored 'General case' 0 C--N 1.333 -0.125 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.638 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.4 tp -62.43 -39.1 92.22 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.708 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 75.7 p -82.57 -12.18 57.91 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.797 0.332 . . . . 0.0 110.614 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 46.67 28.11 0.75 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.48 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -64.14 -27.06 68.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.536 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.44 -28.31 69.18 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.647 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.39 -36.68 83.07 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.694 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.1 mt -63.96 -36.27 83.42 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.362 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.519 ' NE2' ' OE2' ' A' ' 22' ' ' GLU . 53.5 tt0 -62.32 -36.44 82.17 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.47 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.08 -34.92 77.19 Favored 'General case' 0 C--N 1.333 -0.143 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.569 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.4 tp -59.9 -38.14 81.43 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -60.6 -36.07 77.67 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 62.5 t30 60.3 40.2 18.01 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 178.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -141.78 154.5 45.28 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 96.2 mtt-85 58.06 57.05 4.25 Favored 'General case' 0 C--N 1.349 0.584 0 CA-C-N 118.435 0.561 . . . . 0.0 111.538 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -88.37 -1.71 58.19 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.529 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.7 -38.3 89.86 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.453 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.519 ' OE2' ' NE2' ' A' ' 13' ' ' GLN . 23.4 pt-20 -61.88 -19.95 63.2 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.673 -179.645 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.2 -37.37 82.75 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.713 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.02 -37.33 87.02 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.357 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.635 ' N ' HD12 ' A' ' 25' ' ' LEU . 7.6 mp -64.14 -36.15 83.09 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 121.032 -0.267 . . . . 0.0 110.389 179.584 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.08 -38.16 87.76 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.469 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 89.3 mmt-85 -82.43 -17.43 45.42 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 59.8 tp -63.19 -40.32 97.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.419 -179.345 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -67.63 -22.73 65.32 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 120.546 -0.462 . . . . 0.0 111.259 -179.281 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 74.3 m -61.76 -37.73 85.38 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.735 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.91 -38.05 89.42 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.3 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.1 -22.48 66.95 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.879 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.41 -31.67 70.61 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.589 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.07 -36.65 80.18 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.621 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -61.12 -39.64 90.78 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 120.691 -0.403 . . . . 0.0 110.698 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.76 -37.17 83.28 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.571 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.21 -36.4 83.5 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.619 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.5 mmtp -65.48 -25.28 67.42 Favored 'General case' 0 C--N 1.334 -0.108 0 C-N-CA 120.978 -0.289 . . . . 0.0 110.453 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -62.17 -28.38 69.62 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.547 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.49 -18.12 37.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.056 -179.218 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -58.01 -19.58 32.15 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.247 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 71.6 ttp85 -61.23 -37.8 84.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.387 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -66.86 -22.75 65.98 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.633 0.254 . . . . 0.0 110.977 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.434 ' O ' ' OD1' ' A' ' 47' ' ' ASP . . . -61.21 -23.58 65.72 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.685 -179.555 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.7 mt -69.55 -21.01 63.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.749 0.309 . . . . 0.0 110.321 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.11 -36.92 81.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.977 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 48' ' ' LYS . 58.2 p30 -66.35 -13.93 61.31 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.878 -179.443 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.456 ' N ' ' OD1' ' A' ' 47' ' ' ASP . 64.6 tttm -60.97 -38.3 85.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.311 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.5 tp -61.91 -38.87 90.03 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 120.776 -0.369 . . . . 0.0 110.388 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 62.55 34.32 15.28 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.584 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.413 ' O ' ' OD1' ' A' ' 51' ' ' ASP . 67.8 t0 -61.47 -37.6 84.21 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.529 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.418 ' CG ' ' OXT' ' A' ' 52' ' ' TYR . 89.8 t80 . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.415 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.338 0 N-CA-C 109.488 -1.445 . . . . 0.0 109.488 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.9 p -63.69 -23.7 67.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.717 0.294 . . . . 0.0 110.684 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.2 m -136.16 -5.05 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.677 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.13 -36.65 84.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.781 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt 54.43 37.4 27.62 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.371 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.0 tp -62.84 -39.18 93.59 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 120.946 -0.302 . . . . 0.0 110.61 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.429 ' CG2' ' OD1' ' A' ' 9' ' ' ASP . 8.8 t -152.53 150.01 29.12 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-O 120.718 0.294 . . . . 0.0 110.853 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -82.45 -14.29 55.35 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.429 ' OD1' ' CG2' ' A' ' 7' ' ' THR . 57.0 p30 -89.07 7.04 36.99 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.528 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.99 -36.78 80.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.542 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.4 -36.14 81.4 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.611 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.9 mt -63.72 -36.12 82.82 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.511 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -63.49 -37.07 85.87 Favored 'General case' 0 N--CA 1.462 0.148 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.555 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.524 ' NH1' ' OE2' ' A' ' 26' ' ' GLU . 63.3 ttm-85 -61.46 -37.95 85.46 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 61.6 tp -62.6 -38.37 89.91 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.129 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -61.06 -37.12 81.5 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 116.73 -0.214 . . . . 0.0 110.657 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 41.8 t-20 -79.23 68.84 5.31 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.504 -179.667 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -64.3 -19.41 65.4 Favored 'General case' 0 C--N 1.34 0.171 0 CA-C-O 120.73 0.3 . . . . 0.0 110.911 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 91.6 mtm180 -58.7 141.3 53.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.01 0.433 . . . . 0.0 110.88 -179.334 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 56.1 p-80 -72.09 -8.76 56.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.897 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.15 -37.72 80.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.478 -179.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -61.92 -38.48 88.57 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.217 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.41 -37.36 83.2 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.668 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -64.02 -36.61 84.55 Favored 'General case' 0 N--CA 1.462 0.151 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.593 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.1 tp -62.19 -38.71 90.15 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.375 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.524 ' OE2' ' NH1' ' A' ' 14' ' ' ARG . 95.2 mt-10 -86.26 -16.92 36.11 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 120.837 0.351 . . . . 0.0 110.289 179.384 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 63.3 ttm-85 -61.51 -37.74 84.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.423 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.4 tp -62.32 -38.98 91.56 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 120.634 -0.427 . . . . 0.0 110.453 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -63.1 -36.78 84.75 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.957 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 98.0 p -63.53 -21.66 66.45 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.783 0.325 . . . . 0.0 110.72 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.48 -38.13 86.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.252 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.67 -36.39 80.72 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 121.07 -0.252 . . . . 0.0 111.065 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -94.35 21.49 7.01 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -179.097 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.513 ' OD1' ' ND1' ' A' ' 35' ' ' HIS . 53.3 p-10 -83.23 5.2 23.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.186 0.517 . . . . 0.0 109.899 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.513 ' ND1' ' OD1' ' A' ' 34' ' ' ASP . 80.3 m80 -98.43 23.5 8.41 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 178.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 62.04 36.26 15.51 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.973 -179.033 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -63.36 -38.65 91.97 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.083 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -62.71 -37.0 84.78 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 120.894 -0.323 . . . . 0.0 110.67 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.6 -36.1 81.67 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.639 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.04 -25.88 67.93 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.491 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.15 -38.07 87.6 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.436 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.91 -36.28 82.85 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.645 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -70.77 -20.11 62.64 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.689 0.28 . . . . 0.0 110.446 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.74 -24.4 66.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.491 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.6 tp -61.97 -38.81 89.95 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.356 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.02 -38.07 87.27 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.429 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' A' ' 47' ' ' ASP . 67.0 t0 -61.53 -37.49 83.94 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.571 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -63.01 -36.15 82.6 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.719 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 91.0 mt -73.94 -15.18 61.13 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.774 0.321 . . . . 0.0 110.555 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.27 -24.66 67.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.557 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.415 ' O ' ' OD1' ' A' ' 51' ' ' ASP . 67.9 t0 -60.92 -37.88 83.8 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.719 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 117.952 -1.023 . . . . 0.0 110.506 179.79 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.309 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.8 m -62.76 -37.06 85.14 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 121.183 -0.207 . . . . 0.0 110.925 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.2 p -57.74 -30.43 37.45 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.936 -179.502 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.436 ' O ' ' O ' ' A' ' 7' ' ' THR . 98.5 mt-10 -62.52 -36.16 81.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.691 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.1 -38.15 85.29 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.495 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.6 ' N ' HD22 ' A' ' 6' ' ' LEU . 3.2 mm? -63.01 -36.49 83.73 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.763 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.436 ' O ' ' O ' ' A' ' 4' ' ' GLU . 99.6 m -106.07 125.07 50.55 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 120.856 0.36 . . . . 0.0 110.816 -179.685 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -82.32 -19.23 39.8 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.952 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -64.43 -26.69 68.56 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.462 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.77 -26.91 68.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.421 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.48 -36.66 83.19 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.64 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.2 mt -64.11 -35.88 82.2 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.415 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -63.72 -36.47 83.97 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.504 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.07 -36.75 82.6 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.625 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.6 mt -63.19 -36.37 83.42 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.422 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -65.15 -26.6 68.25 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 120.955 -0.298 . . . . 0.0 110.584 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 54.49 39.41 31.06 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.801 -0.359 . . . . 0.0 110.562 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 55.71 34.31 23.08 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.472 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 44.02 -124.09 0.9 Allowed 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.676 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.436 ' O ' ' OE1' ' A' ' 24' ' ' GLU . 58.8 m170 57.32 28.76 15.74 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.505 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -67.02 -38.51 86.06 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.783 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -66.87 -27.0 67.16 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.817 0.341 . . . . 0.0 110.878 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.04 -37.84 80.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.985 -179.298 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.436 ' OE1' ' O ' ' A' ' 20' ' ' HIS . 60.5 mp0 -63.76 -36.61 84.43 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.32 179.754 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.3 tp -62.97 -38.66 92.02 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 120.981 -0.287 . . . . 0.0 110.513 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.61 -38.28 87.05 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.653 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -63.6 -36.98 85.61 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.659 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.7 mt -85.02 -15.05 45.44 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.821 0.343 . . . . 0.0 110.256 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.53 -38.6 88.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.569 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 91.1 p -62.03 -33.28 74.08 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 120.947 -0.301 . . . . 0.0 110.639 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -62.57 -39.29 93.19 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.296 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -79.89 -18.58 50.26 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.747 0.308 . . . . 0.0 110.949 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.4 -15.33 50.21 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.07 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -91.75 110.14 21.47 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.102 -179.543 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.526 ' O ' ' CG ' ' A' ' 35' ' ' HIS . 48.4 t-80 52.67 28.36 6.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.386 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -156.46 7.34 0.19 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.102 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -61.36 -31.73 71.63 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.234 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt -62.76 -36.87 84.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.833 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.525 ' OE1' ' NH1' ' A' ' 42' ' ' ARG . 80.4 mm-40 -67.46 -24.59 65.63 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.759 0.314 . . . . 0.0 110.631 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.41 -20.74 65.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.466 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.44 -35.87 78.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.805 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.525 ' NH1' ' OE1' ' A' ' 39' ' ' GLU . 88.6 mtm180 -62.13 -37.03 83.6 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.468 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -63.86 -36.08 82.76 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.5 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.55 -22.04 61.13 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.128 -178.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.1 mt -66.27 -28.38 68.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.354 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -65.43 -26.7 68.08 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.548 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.44 -36.46 80.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.778 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.444 ' O ' ' OD1' ' A' ' 51' ' ' ASP . 88.0 tttt -61.13 -38.62 87.02 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.369 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.3 mt -63.78 -35.19 79.79 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 120.859 -0.337 . . . . 0.0 110.572 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.01 -36.14 78.73 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.203 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.444 ' OD1' ' O ' ' A' ' 48' ' ' LYS . 98.0 m-20 54.37 37.52 27.74 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.445 -179.688 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.419 ' OXT' ' CG ' ' A' ' 52' ' ' TYR . 90.6 t80 . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.424 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.258 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.1 p -72.39 -14.49 61.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.632 0.253 . . . . 0.0 111.022 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.6 m -138.82 12.87 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.302 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.471 ' HG3' ' H ' ' A' ' 6' ' ' LEU . 24.6 pt-20 -66.24 -20.54 66.15 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.82 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt 53.67 41.26 32.12 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.079 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.471 ' H ' ' HG3' ' A' ' 4' ' ' GLU . 94.8 mt -102.34 4.47 39.05 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 120.766 0.317 . . . . 0.0 110.398 179.454 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 98.2 m -112.42 126.35 55.2 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.729 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.43 -20.78 39.66 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.419 ' O ' ' OE1' ' A' ' 13' ' ' GLN . 97.8 m-20 -65.07 -27.3 68.68 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.581 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.88 -23.98 66.64 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.56 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.62 -38.3 89.68 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.302 -179.627 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.2 mt -63.36 -39.16 93.78 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 120.522 -0.471 . . . . 0.0 111.151 -179.391 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.419 ' OE1' ' O ' ' A' ' 9' ' ' ASP . 26.0 mp0 -65.48 -36.94 85.37 Favored 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 120.694 -0.403 . . . . 0.0 110.952 179.674 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.37 -36.66 82.96 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.514 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.8 mt -64.21 -33.41 75.73 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.271 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -60.13 -38.54 83.38 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 121.024 -0.27 . . . . 0.0 110.739 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 63.4 t30 55.94 40.08 30.5 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 120.754 -0.379 . . . . 0.0 110.709 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 54.6 33.08 18.36 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 120.944 -0.303 . . . . 0.0 110.76 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.419 ' HG2' ' H ' ' A' ' 22' ' ' GLU . 43.8 ttm180 46.57 77.68 0.08 Allowed 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.586 179.703 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 34.1 p80 -66.75 -18.14 65.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.332 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -62.9 -38.1 89.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.139 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.419 ' H ' ' HG2' ' A' ' 19' ' ' ARG . 88.5 tt0 -62.4 -37.6 86.43 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.444 179.745 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.97 -29.82 69.9 Favored 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.406 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.88 -38.16 87.27 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.278 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 85.6 mt -64.01 -36.12 82.95 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.347 179.546 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -62.24 -37.31 84.9 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.634 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -61.12 -38.11 85.2 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.598 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.8 tp -62.61 -39.02 92.46 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.336 179.655 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.99 -38.7 89.57 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.699 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 93.5 p -61.89 -33.78 74.83 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.808 0.337 . . . . 0.0 110.62 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.77 -37.75 87.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.363 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.18 -21.24 66.08 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.898 -179.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.0 -34.26 73.09 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.448 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -83.87 71.3 10.48 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.862 0.363 . . . . 0.0 110.027 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 63.9 t-80 -155.09 -21.0 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.171 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 55.6 p30 -82.47 0.23 43.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.59 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -63.97 -24.88 67.89 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.602 -179.511 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -58.99 -17.34 24.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.108 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -59.67 -21.26 60.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.432 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.0 -26.55 68.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.379 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.7 -36.25 82.35 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.635 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -62.46 -37.08 84.53 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 120.909 -0.317 . . . . 0.0 110.649 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -68.67 -23.96 64.46 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.709 0.29 . . . . 0.0 111.017 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.428 ' O ' ' OD1' ' A' ' 47' ' ' ASP . . . -62.11 -22.65 65.99 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.615 -179.632 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.7 mt -70.55 -20.39 62.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.513 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -62.57 -25.99 68.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.078 -179.406 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.428 ' OD1' ' O ' ' A' ' 44' ' ' ALA . 55.4 p-10 -66.74 -14.17 62.26 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.786 -179.63 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -128.2 148.31 50.61 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 88.0 mt -91.92 -0.35 57.49 Favored 'General case' 0 C--N 1.348 0.505 0 CA-C-N 118.213 0.461 . . . . 0.0 110.487 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.36 -25.98 67.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.554 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.421 ' O ' ' O ' ' A' ' 52' ' ' TYR . 55.0 p-10 -83.98 2.02 40.9 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.811 0.338 . . . . 0.0 110.639 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.525 ' CG ' ' OXT' ' A' ' 52' ' ' TYR . 89.0 t80 . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.311 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.315 0 N-CA-C 109.489 -1.445 . . . . 0.0 109.489 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.1 p -63.54 -23.44 67.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.702 0.286 . . . . 0.0 110.515 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.8 p -57.4 -28.36 30.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.524 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.37 -38.05 88.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.766 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -62.07 -37.0 83.37 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.813 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.643 ' N ' HD12 ' A' ' 6' ' ' LEU . 8.0 mp -63.05 -35.91 81.8 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.731 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.415 ' OG1' ' OD1' ' A' ' 9' ' ' ASP . 70.4 p -78.89 163.32 25.38 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.949 0.404 . . . . 0.0 110.785 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -85.08 -2.68 58.27 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.117 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.415 ' OD1' ' OG1' ' A' ' 7' ' ' THR . 55.4 p30 -80.1 0.35 32.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.805 0.336 . . . . 0.0 110.54 -179.667 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.61 -25.45 68.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.463 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -64.54 -25.8 68.14 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.256 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.4 mt -63.84 -36.86 85.29 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.323 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -65.5 -35.55 81.21 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.506 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 26.0 mmt85 -65.05 -24.58 67.51 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 -179.61 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.7 tp -61.83 -39.77 92.98 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.239 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.426 ' O ' ' OE1' ' A' ' 22' ' ' GLU . 73.1 mmtt -73.46 -21.8 60.35 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -108.5 18.98 20.34 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.292 -179.414 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -61.22 -22.51 64.85 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.044 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 38.2 mmt180 -72.99 138.58 46.11 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.084 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -61.94 -41.15 97.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.062 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.4 -38.31 90.65 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.551 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.426 ' OE1' ' O ' ' A' ' 16' ' ' LYS . 95.7 mt-10 -64.27 -36.62 84.69 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.791 0.329 . . . . 0.0 110.371 179.743 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.2 -37.14 81.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.639 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -64.25 -35.84 82.13 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.733 179.626 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.0 mt -82.54 -15.39 52.52 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.824 0.345 . . . . 0.0 110.628 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -60.97 -37.46 82.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.471 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 -57.38 -23.87 51.83 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.571 -179.235 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.3 tp -62.56 -39.12 92.64 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.711 -0.395 . . . . 0.0 110.381 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -63.26 -36.67 84.44 Favored 'General case' 0 N--CA 1.462 0.166 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.555 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 75.2 m -61.83 -36.85 82.37 Favored 'General case' 0 C--N 1.333 -0.152 0 C-N-CA 121.005 -0.278 . . . . 0.0 110.748 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.06 -37.91 86.79 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.463 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.43 -22.35 66.83 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.645 0.259 . . . . 0.0 110.903 -179.566 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.2 -33.09 71.74 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.816 -0.353 . . . . 0.0 110.501 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 35' ' ' HIS . 65.8 t0 -64.94 137.02 57.48 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.428 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.522 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 22.1 m80 67.12 1.06 2.24 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.144 -179.224 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -70.06 -33.79 72.37 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 178.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -68.5 -22.94 64.51 Favored 'General case' 0 N--CA 1.461 0.088 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.456 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp -66.08 -24.44 66.71 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.248 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.02 -35.12 79.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.705 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.16 -24.58 67.26 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 121.031 -0.268 . . . . 0.0 110.862 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -64.97 -25.61 67.94 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.516 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -62.78 -36.28 82.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.673 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 56.9 mtmt -66.94 -22.31 65.94 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.671 0.272 . . . . 0.0 110.922 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.76 -23.7 65.18 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.636 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.8 tp -62.0 -38.87 90.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.48 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.26 -38.05 87.79 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.49 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -61.61 -36.62 81.23 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.673 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -62.34 -36.66 82.9 Favored 'General case' 0 C--O 1.232 0.14 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.668 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.7 tp -62.05 -39.23 91.66 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.499 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.33 -37.34 82.92 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.688 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.497 ' O ' ' CG ' ' A' ' 52' ' ' TYR . 98.1 m-20 -62.03 -36.74 82.49 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.687 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.497 ' CG ' ' O ' ' A' ' 51' ' ' ASP . 96.8 m-85 . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.43 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.366 0 N-CA-C 109.589 -1.404 . . . . 0.0 109.589 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.3 m -62.4 -37.45 85.82 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 121.18 -0.208 . . . . 0.0 110.861 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.8 p -59.08 -32.39 47.79 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.146 0 CA-C-O 120.832 0.349 . . . . 0.0 110.571 -179.541 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -63.67 -36.29 83.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.734 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.3 mmmt -65.23 -27.13 68.45 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.512 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.4 tp -62.44 -39.13 92.34 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.647 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 77.5 p -80.76 163.33 23.58 Favored 'General case' 0 N--CA 1.461 0.107 0 CA-C-O 120.926 0.393 . . . . 0.0 110.808 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.48 -12.38 60.03 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.459 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.27 -35.5 77.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.708 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.06 -26.04 67.36 Favored 'General case' 0 N--CA 1.463 0.195 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.645 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.92 -38.87 90.04 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.671 -0.412 . . . . 0.0 110.227 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.5 mt -65.25 -35.07 79.92 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.254 179.354 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -63.53 -36.24 83.14 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.655 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -60.32 -38.05 82.52 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.655 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 91.9 mt -62.78 -37.67 87.56 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.296 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -63.74 -36.48 84.0 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 120.971 -0.292 . . . . 0.0 110.291 179.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 60.7 t30 57.4 35.86 26.45 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.087 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -93.49 -3.72 52.47 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.854 0.359 . . . . 0.0 110.401 179.139 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -64.1 -39.7 94.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.697 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 33.4 m80 61.64 12.14 4.37 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.989 -179.597 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -67.12 -37.27 83.59 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.355 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.94 -36.9 84.97 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.798 0.332 . . . . 0.0 110.413 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.1 -37.59 83.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.707 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.16 -36.67 84.81 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.653 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.3 tp -62.07 -36.39 81.51 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.578 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.5 tm-20 -58.88 -34.76 72.01 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.956 -0.298 . . . . 0.0 111.005 -179.405 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.4 mtt85 -61.92 -37.53 85.0 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.762 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.592 HD22 ' N ' ' A' ' 28' ' ' LEU . 3.0 mm? -64.82 -34.6 78.75 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.459 179.524 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.4 ttmm -60.26 -36.76 78.54 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.66 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 94.4 p -61.65 -23.31 65.97 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.686 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.85 -36.74 84.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.284 179.694 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.55 -20.36 63.17 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.908 -179.43 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.78 -33.81 72.19 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.486 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.429 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 67.6 t0 -61.17 -37.2 82.06 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.41 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 64.0 t-80 -61.99 -37.67 85.72 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.469 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.429 ' O ' ' OD1' ' A' ' 36' ' ' ASP . 67.5 t0 -61.43 -37.06 82.14 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 120.829 -0.349 . . . . 0.0 110.554 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -62.08 -36.46 81.74 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 120.899 -0.32 . . . . 0.0 110.62 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -61.15 -38.45 86.47 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.454 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.15 -37.9 86.93 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.441 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.11 -36.88 80.88 Favored 'General case' 0 N--CA 1.463 0.187 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.444 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.78 -36.17 82.25 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.501 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 79.0 ttt-85 -61.26 -37.96 84.97 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.567 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -67.9 -23.35 65.09 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.693 0.282 . . . . 0.0 111.13 -179.632 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.437 ' O ' ' OD1' ' A' ' 47' ' ' ASP . . . -61.17 -25.89 67.33 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.738 -179.481 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.4 mt -72.73 -17.97 61.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.719 0.295 . . . . 0.0 110.413 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -61.52 -38.29 86.84 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.722 -179.594 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 48' ' ' LYS . 58.1 p30 -70.2 -13.83 62.36 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.59 -179.645 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.439 ' N ' ' OD1' ' A' ' 47' ' ' ASP . 63.9 mttp 54.67 37.63 28.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.631 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.5 tp -62.81 -39.1 93.22 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.452 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.22 -28.64 69.83 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.558 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.434 ' O ' ' OD1' ' A' ' 51' ' ' ASP . 67.9 t0 -61.32 -37.83 84.66 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.625 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 91.9 t80 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.481 179.935 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.292 0 N-CA-C 109.476 -1.45 . . . . 0.0 109.476 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.536 ' O ' ' N ' ' A' ' 4' ' ' GLU . 94.1 p -63.61 -36.72 84.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.845 0.355 . . . . 0.0 110.552 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 30.7 m 35.94 26.19 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.511 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.536 ' N ' ' O ' ' A' ' 2' ' ' SER . 96.8 mt-10 -62.73 -36.63 83.6 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.904 -0.319 . . . . 0.0 110.85 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.422 ' O ' ' OD2' ' A' ' 9' ' ' ASP . 68.8 mttm -70.42 -20.22 62.93 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 121.11 -0.236 . . . . 0.0 110.999 -179.684 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 83.9 mt -93.44 1.5 56.82 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.287 -179.521 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.448 ' O ' ' O ' ' A' ' 4' ' ' GLU . 13.2 t -151.91 158.79 43.66 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.893 0.378 . . . . 0.0 110.806 179.795 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 55.8 31.31 17.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.483 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.422 ' OD2' ' O ' ' A' ' 5' ' ' LYS . 96.9 m-20 -75.15 -10.05 59.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.559 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.13 -26.72 67.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.127 -179.407 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -62.95 -26.82 69.0 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.978 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.3 mt -64.41 -35.7 81.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.373 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -66.42 -29.83 70.06 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 121.011 -0.275 . . . . 0.0 110.731 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -60.42 -38.68 84.84 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.783 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.1 mt -63.58 -36.64 84.47 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.522 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -62.75 -36.54 83.38 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.73 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 32.5 m120 -67.05 -25.9 66.49 Favored 'General case' 0 C--N 1.333 -0.129 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.71 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 54.95 38.38 30.36 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.803 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 73.1 mtp85 56.03 44.93 24.64 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.806 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 64.1 t-80 -63.84 -26.29 68.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.984 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -58.14 -31.82 67.57 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.774 -178.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -54.52 -19.81 6.56 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 120.365 -0.534 . . . . 0.0 110.616 -178.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.81 -24.93 68.0 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.399 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.56 -35.77 81.6 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.751 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.1 tp -61.3 -38.77 88.01 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.579 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.95 -37.97 86.75 Favored 'General case' 0 N--CA 1.463 0.207 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.621 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 78.9 ttt-85 -61.28 -37.63 83.86 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.598 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.3 tp -62.17 -39.1 91.53 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.65 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -62.87 -37.15 85.74 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.038 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 98.4 p -63.43 -22.79 67.09 Favored 'General case' 0 C--N 1.333 -0.118 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.716 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.65 -38.9 92.12 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.529 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.34 -37.88 87.36 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 121.157 -0.217 . . . . 0.0 111.385 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -96.92 21.8 9.18 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 120.774 0.321 . . . . 0.0 111.336 -179.289 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -86.36 107.88 18.2 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.448 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.525 ' O ' ' ND1' ' A' ' 35' ' ' HIS . 59.3 t-80 55.04 31.96 17.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.963 -179.719 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 53.82 35.28 21.16 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.163 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -62.59 -39.64 94.37 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.077 -179.595 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -61.38 -38.77 88.25 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.597 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.39 -36.6 82.81 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 120.95 -0.3 . . . . 0.0 110.996 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.99 -37.46 82.55 Favored 'General case' 0 N--CA 1.463 0.187 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.636 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.58 -35.8 81.7 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.688 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.12 -36.49 81.91 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 121.032 -0.267 . . . . 0.0 110.952 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -66.3 -22.58 66.29 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.714 0.293 . . . . 0.0 111.064 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.77 -23.83 65.29 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.423 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 98.2 mt -64.51 -33.08 75.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.377 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.99 -38.09 84.77 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.746 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.41 -36.57 80.7 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.637 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 54.64 38.2 29.53 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.736 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.1 tp -62.92 -39.07 93.45 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.657 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.27 -37.23 82.37 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.957 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.72 -37.16 83.16 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.752 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 91.8 t80 . . . . . 0 C--O 1.221 -0.42 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.507 -179.957 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.242 0 N-CA-C 109.59 -1.404 . . . . 0.0 109.59 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.5 p -63.67 -23.97 67.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.687 0.279 . . . . 0.0 110.639 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.3 m -135.32 -4.84 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.609 179.64 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -63.35 -36.6 84.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.717 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -67.02 -27.15 67.17 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.692 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 86.1 mt -97.16 -0.68 46.5 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.633 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.542 HG22 ' H ' ' A' ' 9' ' ' ASP . 93.8 m -117.86 128.6 55.0 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.817 0.341 . . . . 0.0 110.475 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -115.77 26.31 10.1 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.732 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.542 ' H ' HG22 ' A' ' 7' ' ' THR . 55.0 p30 -82.52 2.39 33.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.852 0.358 . . . . 0.0 110.769 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.18 -27.71 69.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.377 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.61 -36.74 83.74 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.686 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.8 mt -64.2 -36.25 83.45 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.536 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -62.69 -37.44 86.46 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.777 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 78.9 ttt-85 -61.67 -38.49 87.97 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.703 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.6 mt -63.46 -36.93 85.38 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.61 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -72.57 -17.38 61.71 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.883 0.373 . . . . 0.0 110.31 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -61.44 -35.74 78.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.564 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.18 -36.49 82.06 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.812 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -92.4 113.78 26.15 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.532 ' CE1' ' OE2' ' A' ' 21' ' ' GLU . 56.0 p-80 -81.47 -15.96 53.43 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.221 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.532 ' OE2' ' CE1' ' A' ' 20' ' ' HIS . 57.2 mp0 -64.55 -35.83 82.23 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.599 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -61.8 -38.59 88.66 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.154 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.54 -37.13 82.66 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.549 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -63.65 -36.36 83.59 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.616 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 94.7 mt -84.83 -15.59 44.27 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.802 0.334 . . . . 0.0 110.39 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.38 -37.3 82.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.045 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -58.04 -22.2 48.91 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.585 -179.284 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.2 tp -62.3 -38.85 90.97 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.335 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -61.19 -38.26 85.89 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.352 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.4 t -60.99 -39.09 88.32 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 120.859 -0.337 . . . . 0.0 110.649 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.43 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 97.4 mt-10 -63.43 -34.89 78.73 Favored 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.783 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.507 ' O ' ' ND1' ' A' ' 35' ' ' HIS . . . -59.46 -22.95 62.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.21 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.94 -24.06 67.58 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.44 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.43 ' OD1' ' O ' ' A' ' 31' ' ' GLU . 54.5 p30 -77.51 4.19 11.74 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.597 -179.537 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.507 ' ND1' ' O ' ' A' ' 32' ' ' ALA . 52.8 p-80 -62.58 -20.56 64.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.249 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.38 -36.39 80.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.459 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -61.15 -37.97 84.75 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.311 179.684 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.75 -36.76 81.94 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.552 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -61.92 -38.1 87.17 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.019 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.3 -36.17 79.38 Favored 'General case' 0 N--CA 1.462 0.138 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.506 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.16 -36.73 82.74 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.644 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -61.8 -38.21 87.26 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.436 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt -68.04 -22.71 64.95 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.637 0.256 . . . . 0.0 111.016 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.75 -25.89 66.81 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.856 -0.337 . . . . 0.0 110.705 -179.487 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.8 tp -62.16 -39.43 92.62 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.328 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.4 -34.71 78.34 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 121.027 -0.269 . . . . 0.0 110.872 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -60.7 -34.82 74.93 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.817 -179.543 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.34 -37.28 82.71 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.866 -179.568 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.605 ' N ' HD22 ' A' ' 49' ' ' LEU . 3.3 mm? -63.23 -36.97 85.42 Favored 'General case' 0 N--CA 1.462 0.164 0 C-N-CA 120.591 -0.443 . . . . 0.0 110.48 179.676 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 57.24 28.55 15.32 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.323 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -61.95 -36.96 82.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.559 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 117.947 -1.025 . . . . 0.0 110.573 -179.97 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.33 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.5 m -62.67 -37.21 85.53 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 121.159 -0.216 . . . . 0.0 110.944 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.434 ' C ' ' H ' ' A' ' 5' ' ' LYS . 35.0 m -136.38 158.23 37.82 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.76 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 76.5 -26.87 0.18 Allowed 'General case' 0 C--N 1.35 0.607 0 CA-C-N 118.482 0.583 . . . . 0.0 110.731 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.434 ' H ' ' C ' ' A' ' 3' ' ' VAL . 48.1 mmtm -102.2 2.49 37.28 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.376 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 85.9 mt -96.24 2.92 53.34 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.553 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.414 ' CG2' ' OD1' ' A' ' 9' ' ' ASP . 9.0 t -150.53 148.91 29.26 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.868 0.366 . . . . 0.0 110.824 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -89.43 -7.12 55.79 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.861 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.414 ' OD1' ' CG2' ' A' ' 7' ' ' THR . 55.6 p30 -84.88 4.75 31.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.565 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.35 -36.92 81.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.01 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -62.42 -27.69 69.27 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.957 -179.493 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.6 mt -67.28 -33.45 75.33 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.844 -0.343 . . . . 0.0 110.306 179.455 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -61.76 -36.48 81.14 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.77 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.445 ' O ' ' OD1' ' A' ' 17' ' ' ASN . 60.0 ttt85 -59.98 -38.3 82.14 Favored 'General case' 0 N--CA 1.463 0.209 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.382 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.6 mt -64.15 -36.01 82.66 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.521 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -62.99 -37.93 89.11 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -179.363 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.445 ' OD1' ' O ' ' A' ' 14' ' ' ARG . 55.0 p30 -98.84 14.32 29.32 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.64 0.257 . . . . 0.0 111.395 -179.174 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.52 -37.87 85.28 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.417 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 90.7 mtm180 -68.14 146.1 53.75 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.783 0.325 . . . . 0.0 110.342 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -134.24 148.2 50.8 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.022 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -64.52 -36.03 82.9 Favored 'General case' 0 C--N 1.345 0.397 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.634 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -64.29 -36.02 82.75 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.528 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.22 -23.65 67.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.16 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -64.0 -36.79 85.14 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.583 -179.556 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.7 pp -64.91 -24.31 67.49 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.461 -179.575 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.68 -37.13 82.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.281 -0.418 . . . . 0.0 109.928 179.654 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -62.08 -38.17 87.81 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.738 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.8 tp -62.02 -39.46 92.35 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.508 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -63.5 -36.82 85.02 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.538 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 75.4 m -62.18 -36.82 83.05 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 121.026 -0.27 . . . . 0.0 110.829 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -61.88 -37.91 86.34 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.435 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.4 -22.12 66.69 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.655 0.264 . . . . 0.0 110.899 -179.605 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.48 -31.95 70.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.661 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 54.76 40.33 31.87 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.473 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 77.2 m80 55.12 36.77 27.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.227 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 53.9 35.46 21.84 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.306 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -62.37 -39.61 93.72 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 120.904 -0.319 . . . . 0.0 111.016 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -62.42 -36.78 83.45 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.984 -179.667 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.68 -35.96 81.36 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.798 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.77 -27.55 68.82 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.791 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -66.04 -27.11 67.85 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.566 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 46.3 mmm-85 -62.71 -36.24 82.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.364 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -67.1 -22.43 65.82 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.643 0.259 . . . . 0.0 111.034 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.04 -23.74 65.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.6 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.8 mt -65.99 -29.56 69.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.349 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.11 -37.74 86.27 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.561 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.12 -36.93 81.05 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.551 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.436 ' O ' ' OD1' ' A' ' 51' ' ' ASP . 68.5 mttm -62.99 -36.5 83.72 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.822 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 94.0 mt -62.83 -36.49 83.36 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.614 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.53 -25.31 67.97 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.393 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 48' ' ' LYS . 96.5 m-20 54.21 37.47 27.3 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.637 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 92.3 t80 . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.427 179.914 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.343 0 N-CA-C 109.524 -1.43 . . . . 0.0 109.524 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.492 ' C ' ' H ' ' A' ' 4' ' ' GLU . 89.4 p -69.56 -19.96 63.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.741 0.305 . . . . 0.0 110.806 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.1 t 62.36 -1.02 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.356 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.492 ' H ' ' C ' ' A' ' 2' ' ' SER . 88.5 tt0 -62.69 -38.39 90.21 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.598 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.74 -36.89 84.48 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.615 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.62 ' N ' HD22 ' A' ' 6' ' ' LEU . 3.2 mm? -63.69 -36.72 84.77 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.6 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.536 HG22 ' H ' ' A' ' 9' ' ' ASP . 24.0 m -61.74 137.91 58.28 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.13 5.03 4.75 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 -179.172 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.536 ' H ' HG22 ' A' ' 7' ' ' THR . 54.0 p-10 -82.21 3.53 26.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.657 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.32 -27.1 68.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.471 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.32 -36.46 82.24 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.481 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.3 mt -64.56 -35.13 79.99 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.317 179.581 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -65.86 -29.91 70.44 Favored 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 120.99 -0.284 . . . . 0.0 110.573 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -61.98 -36.79 82.52 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.743 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.3 mt -62.97 -36.67 84.25 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.43 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -63.08 -36.29 83.08 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 121.18 -0.208 . . . . 0.0 110.721 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -99.31 16.03 24.32 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 111.577 0.214 . . . . 0.0 111.577 -178.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -59.52 -18.73 42.75 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.449 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -62.12 -22.18 65.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.47 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -61.21 -38.96 88.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.574 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.81 -37.91 86.16 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.459 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.93 -37.98 86.74 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.495 179.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.59 -26.81 68.79 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.514 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.17 -37.99 87.37 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.428 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.623 ' N ' HD12 ' A' ' 25' ' ' LEU . 7.9 mp -62.17 -36.71 82.7 Favored 'General case' 0 C--O 1.232 0.145 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.484 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.16 -38.13 87.85 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.309 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.4 tpt180 -60.8 -38.78 86.52 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.397 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.1 mt -63.78 -36.16 82.97 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.211 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.28 -38.31 86.29 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.417 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 74.3 m -61.55 -37.43 83.75 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.672 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -62.48 -37.79 87.36 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.046 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.45 -22.56 66.3 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.717 -179.627 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.36 -27.77 68.75 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.049 -179.51 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.425 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 67.1 t0 -60.93 -38.07 84.51 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.586 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -70.37 -29.72 66.46 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.631 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -62.25 -33.68 75.08 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.442 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -59.89 -39.08 84.15 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.441 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.89 -36.96 85.06 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.461 179.734 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -67.47 -27.9 67.41 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.69 0.281 . . . . 0.0 110.671 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -82.91 -17.88 42.13 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.983 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.24 -40.32 97.1 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 120.774 -0.37 . . . . 0.0 111.563 -179.138 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.8 ptm180 -71.38 -26.65 62.88 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.961 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -70.76 -21.22 62.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.032 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.46 -26.1 66.52 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.426 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.9 tp -62.47 -39.02 92.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.423 179.629 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -62.2 -38.39 88.95 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.288 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -66.38 -24.17 66.44 Favored 'General case' 0 C--N 1.333 -0.109 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.496 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt 56.34 42.15 28.13 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 99.8 mt -62.44 -36.33 82.06 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.261 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 58.7 31.55 21.27 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.301 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.78 -36.95 82.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.553 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 88.9 t80 . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.364 -179.976 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.299 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.1 p -63.53 -23.31 67.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.773 0.32 . . . . 0.0 110.426 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 54.1 t -63.31 -40.17 88.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.488 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 53.5 33.12 15.43 Favored 'General case' 0 N--CA 1.463 0.195 0 C-N-CA 120.876 -0.329 . . . . 0.0 110.483 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 68.4 mttm 54.31 37.86 28.29 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.699 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.425 ' C ' ' H ' ' A' ' 8' ' ' ALA . 71.6 mt 59.0 28.69 18.03 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.691 0.281 . . . . 0.0 110.275 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 6' ' ' LEU . 5.9 p 59.35 5.01 0.54 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.522 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.425 ' H ' ' C ' ' A' ' 6' ' ' LEU . . . -63.26 -24.2 67.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.367 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 56.9 p30 -88.26 7.98 29.54 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.459 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.81 -34.53 74.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.633 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -62.21 -34.64 76.85 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 120.924 -0.311 . . . . 0.0 110.714 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.6 mt -63.13 -35.53 80.58 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 120.946 -0.302 . . . . 0.0 110.627 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -61.06 -36.88 80.78 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.826 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.426 ' O ' ' OD1' ' A' ' 17' ' ' ASN . 83.8 mtt85 -62.55 -35.96 81.1 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.773 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.1 mt -68.82 -21.85 64.28 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.562 0.22 . . . . 0.0 111.103 -179.492 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -63.4 -24.8 68.0 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 121.073 -0.251 . . . . 0.0 110.842 -179.278 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.426 ' OD1' ' O ' ' A' ' 14' ' ' ARG . 55.2 p30 -84.86 -3.4 58.65 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 111.849 0.315 . . . . 0.0 111.849 -179.172 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 42.46 29.68 0.17 Allowed 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.992 0.425 . . . . 0.0 110.394 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.543 ' O ' ' CG ' ' A' ' 20' ' ' HIS . 91.3 mtm180 53.92 41.34 32.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.46 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.543 ' CG ' ' O ' ' A' ' 19' ' ' ARG . 32.3 p80 41.83 19.13 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.73 179.558 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 19' ' ' ARG . 95.7 mt-10 -65.06 -38.82 92.06 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 120.488 -0.485 . . . . 0.0 111.335 179.563 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.54 -38.2 89.07 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.51 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.22 -37.43 82.99 Favored 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.629 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -64.39 -36.51 84.39 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.357 179.596 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.4 tp -62.79 -38.79 92.03 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 121.04 -0.264 . . . . 0.0 110.444 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.74 -38.44 87.95 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.642 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 59.0 ttp180 -61.73 -38.12 86.74 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 120.656 -0.418 . . . . 0.0 110.482 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.7 mt -64.38 -35.7 81.74 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.513 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -60.85 -38.14 84.5 Favored 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 120.919 -0.312 . . . . 0.0 110.79 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 91.8 p -61.21 -31.95 71.72 Favored 'General case' 0 C--N 1.334 -0.072 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.646 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.79 -37.35 86.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.374 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.96 -22.1 65.35 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.739 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.14 -25.49 67.77 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.452 -179.232 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 57.6 p30 -65.54 -14.66 61.54 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.93 -179.486 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 49.3 m80 -99.42 5.4 46.32 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.995 0.426 . . . . 0.0 110.06 179.158 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -62.69 -35.51 79.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.196 179.419 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -61.49 -36.44 80.46 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.504 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -62.26 -36.56 82.42 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.615 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.36 -37.38 85.47 Favored 'General case' 0 N--CA 1.463 0.195 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.536 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.54 -35.86 77.03 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.585 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -65.01 -17.21 64.25 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.86 0.362 . . . . 0.0 110.79 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 73.3 ttp85 -58.5 -34.27 70.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.071 -179.311 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -57.66 -19.46 26.87 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.712 0.292 . . . . 0.0 110.836 -179.347 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.26 -22.41 63.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.552 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.47 -27.36 67.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.279 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -62.67 -35.64 80.3 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.59 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' A' ' 47' ' ' ASP . 67.2 t0 -61.21 -37.44 83.01 Favored 'General case' 0 N--CA 1.462 0.162 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.512 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.29 -36.73 83.02 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.584 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.4 tp -62.25 -39.02 91.48 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 120.794 -0.363 . . . . 0.0 110.386 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.24 -37.01 81.53 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.59 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 53.3 t0 55.35 40.59 31.48 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.59 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 50.0 p90 . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.984 -1.007 . . . . 0.0 110.544 179.961 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.319 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.7 t -63.26 -40.95 98.85 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.984 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 55.8 t -66.62 -43.11 90.61 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 120.643 -0.423 . . . . 0.0 111.118 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.436 ' O ' ' O ' ' A' ' 7' ' ' THR . 24.7 pt-20 -72.9 -18.61 61.39 Favored 'General case' 0 C--N 1.334 -0.071 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.873 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -61.91 -38.52 88.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.523 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.2 tp -63.1 -38.94 93.19 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.9 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.436 ' O ' ' O ' ' A' ' 4' ' ' GLU . 99.5 m -107.92 125.89 52.03 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 120.88 0.371 . . . . 0.0 111.024 -179.491 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -82.4 -18.94 40.2 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.039 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -64.5 -25.57 68.05 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.513 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.29 -28.66 69.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.435 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -62.85 -36.13 82.23 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.704 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.5 mt -64.5 -34.78 79.01 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.28 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -63.5 -35.71 81.37 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.815 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -59.96 -37.1 78.6 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.811 -0.355 . . . . 0.0 110.381 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.7 mt -62.01 -36.56 81.91 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.404 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -65.96 -24.26 66.77 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.798 0.332 . . . . 0.0 110.306 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.516 ' ND2' ' OE2' ' A' ' 21' ' ' GLU . 62.3 t30 57.65 39.05 27.8 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.682 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.7 -37.67 87.38 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.329 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 85.1 mtp180 -71.68 154.75 41.15 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.843 0.354 . . . . 0.0 111.042 -179.713 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 72.3 m80 60.32 29.86 19.35 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.288 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.516 ' OE2' ' ND2' ' A' ' 17' ' ' ASN . 80.8 mm-40 -103.67 -24.19 13.39 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.648 0.261 . . . . 0.0 110.952 179.458 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.98 -37.92 89.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.632 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.7 -37.09 80.48 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.576 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -63.76 -36.46 83.95 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.409 179.556 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.0 mt -82.5 -16.19 49.65 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.796 0.332 . . . . 0.0 110.405 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.68 -38.34 87.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.702 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 78.9 ttt-85 -61.28 -38.31 86.3 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.261 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 87.6 mt -65.53 -35.13 79.96 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.5 179.528 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -84.42 -14.96 47.89 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.712 0.291 . . . . 0.0 110.599 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 75.7 m -61.68 -36.38 80.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.519 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -61.95 -36.65 82.04 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.343 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.27 -20.99 63.5 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.996 -179.438 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.84 -33.33 71.64 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.467 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.428 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 66.8 t0 -61.29 -35.22 76.74 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 121.052 -0.259 . . . . 0.0 110.678 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -87.49 -1.35 57.87 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.666 0.269 . . . . 0.0 110.794 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.434 ' O ' ' OD1' ' A' ' 36' ' ' ASP . 67.9 t0 -61.48 -36.84 81.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.536 179.652 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -61.96 -35.85 79.67 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 121.01 -0.276 . . . . 0.0 110.772 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -60.63 -37.65 82.16 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.398 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -63.54 -21.38 66.31 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.785 0.326 . . . . 0.0 110.832 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.15 -19.47 53.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.895 -179.462 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -57.8 -15.92 9.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.882 0.372 . . . . 0.0 110.617 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -57.24 -29.95 64.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.098 -179.381 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -58.05 -19.53 32.35 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.922 -179.28 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.27 -22.51 63.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.59 -179.633 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.5 mt -65.94 -28.03 68.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.238 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.01 -37.64 85.62 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.582 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.09 -36.38 79.51 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.74 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt 55.16 38.4 30.38 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.56 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 67.6 mt 56.31 26.86 11.04 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.426 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.36 -32.6 72.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.372 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.43 ' O ' ' O ' ' A' ' 52' ' ' TYR . 53.1 t0 57.72 39.38 27.32 Favored 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 120.894 -0.323 . . . . 0.0 110.376 -179.738 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.52 ' CG ' ' OXT' ' A' ' 52' ' ' TYR . 92.1 t80 . . . . . 0 C--O 1.219 -0.518 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.428 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.29 0 N-CA-C 109.597 -1.401 . . . . 0.0 109.597 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.6 p -63.97 -23.4 67.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.69 0.281 . . . . 0.0 110.768 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.5 m -134.83 -5.36 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.74 179.676 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -62.6 -38.54 90.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.142 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -62.95 -36.69 84.3 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.641 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.549 ' O ' ' N ' ' A' ' 8' ' ' ALA . 59.9 tp -63.12 -39.37 94.49 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.811 -179.777 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.493 ' OG1' ' N ' ' A' ' 8' ' ' ALA . 36.4 p 54.67 -79.0 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 120.646 0.26 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.549 ' N ' ' O ' ' A' ' 6' ' ' LEU . . . 54.71 31.99 16.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.65 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 56.9 p30 -86.53 3.03 45.91 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.636 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.9 -37.49 84.8 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.094 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -65.4 -25.83 67.72 Favored 'General case' 0 C--O 1.231 0.13 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.184 -179.437 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.3 mt -65.19 -36.65 84.87 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.554 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -63.15 -36.66 84.35 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.911 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 63.3 ttm-85 -61.04 -37.74 83.67 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.814 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.6 tp -61.62 -39.32 90.85 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.559 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -71.65 -21.16 61.86 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-O 120.803 0.335 . . . . 0.0 110.298 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -61.69 -35.7 78.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.71 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.03 -35.76 79.53 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 120.966 -0.293 . . . . 0.0 110.665 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.52 ' NH1' ' OE1' ' A' ' 21' ' ' GLU . 60.6 ttt85 -86.77 108.02 18.52 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.84 0.352 . . . . 0.0 110.394 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 56.1 p-80 -82.71 -13.56 56.16 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.538 179.573 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.52 ' OE1' ' NH1' ' A' ' 19' ' ' ARG . 97.5 mt-10 -65.72 -35.14 79.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.756 179.798 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.4 -37.42 83.39 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.436 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.58 -36.62 78.95 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 120.699 -0.401 . . . . 0.0 110.495 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -63.34 -36.26 83.11 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.424 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.7 tp -61.3 -37.23 82.46 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 120.992 -0.283 . . . . 0.0 110.443 179.72 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -59.55 -35.48 74.3 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 121.075 -0.25 . . . . 0.0 110.588 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.8 tpp85 -59.15 -38.75 80.44 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.207 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.633 ' N ' HD12 ' A' ' 28' ' ' LEU . 8.2 mp -63.02 -36.37 83.34 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.615 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -60.69 -38.39 84.82 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.315 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 75.7 m -61.89 -36.97 82.86 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.826 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -61.54 -37.72 84.8 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.174 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.32 -22.73 66.29 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.926 -179.513 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.73 -29.28 69.27 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.797 -179.607 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.16 -36.22 79.21 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.454 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -60.95 -39.24 88.75 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.732 179.709 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.417 ' O ' ' OD1' ' A' ' 36' ' ' ASP . 67.9 t0 -61.14 -36.94 81.11 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.59 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -62.08 -36.42 81.6 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.583 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -64.6 -28.14 69.42 Favored 'General case' 0 N--CA 1.461 0.119 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.533 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.36 -38.01 87.91 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.381 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.44 -26.51 68.55 Favored 'General case' 0 N--CA 1.462 0.173 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.58 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.12 -38.09 87.63 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.406 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -62.81 -36.48 83.31 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.693 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 29.8 mmtp -69.01 -21.65 64.12 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.743 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.23 -23.76 65.86 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.389 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.2 tp -62.29 -38.95 91.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.441 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.58 -36.79 83.84 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.493 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -62.02 -35.91 79.98 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.405 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 98.5 mttt 59.04 39.67 23.1 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.735 179.494 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -89.65 -11.81 41.43 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 178.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.41 -36.55 80.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.683 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.524 ' O ' ' CG ' ' A' ' 52' ' ' TYR . 49.7 t0 58.4 37.69 25.77 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 120.889 -0.325 . . . . 0.0 110.614 -179.723 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.524 ' CG ' ' O ' ' A' ' 51' ' ' ASP . 45.4 m-85 . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.174 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.281 0 N-CA-C 109.592 -1.403 . . . . 0.0 109.592 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.2 m -62.38 -37.51 86.02 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 121.144 -0.222 . . . . 0.0 110.882 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.7 m -135.57 -2.73 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 CA-C-O 120.755 0.312 . . . . 0.0 110.629 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.73 -38.46 90.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.527 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -70.49 -22.97 62.6 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.616 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 85.0 mt -94.56 -3.59 49.46 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.556 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 98.7 m -63.09 -43.12 99.38 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.705 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.39 26.45 1.95 Allowed 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.971 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 53.2 p-10 -80.36 1.17 29.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.755 0.312 . . . . 0.0 110.563 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.34 -26.67 68.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.504 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.77 -36.1 81.98 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.544 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 91.7 mt -68.83 -25.22 64.56 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-O 120.737 0.303 . . . . 0.0 110.377 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -61.26 -36.89 81.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.634 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 92.0 mtm180 -62.53 -36.18 81.76 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.666 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.2 tp -61.91 -39.05 90.68 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.391 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -62.41 -36.97 84.01 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.658 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.46 -36.91 83.93 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.666 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.95 -36.41 83.36 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.671 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 76.7 mtp85 -69.9 144.76 52.36 Favored 'General case' 0 C--O 1.231 0.126 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.491 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 61.9 m170 56.29 32.35 20.25 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.626 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -64.94 -40.4 94.97 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 120.741 -0.384 . . . . 0.0 111.407 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.4 pm0 -65.26 -19.21 65.86 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-O 120.719 0.295 . . . . 0.0 111.069 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.55 -27.77 68.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.541 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.1 -38.77 90.15 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.332 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 87.1 mt -65.25 -35.82 82.21 Favored 'General case' 0 CA--C 1.528 0.114 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.338 179.558 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.38 -37.81 87.16 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.574 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 44.2 mmm-85 -62.72 -37.22 85.66 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 120.724 -0.391 . . . . 0.0 110.608 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.0 mt -64.33 -38.0 89.49 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.593 179.724 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -64.86 -36.71 85.24 Favored 'General case' 0 C--O 1.233 0.191 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.778 179.705 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 97.0 p -63.44 -23.3 67.34 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.74 0.305 . . . . 0.0 110.678 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -62.96 -37.88 88.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.165 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.1 -22.27 66.75 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.051 -179.412 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.444 ' O ' ' OD1' ' A' ' 36' ' ' ASP . . . -60.17 -35.85 76.27 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.566 -0.454 . . . . 0.0 110.413 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.427 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 59.7 t0 -70.82 -29.48 65.65 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.647 179.66 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -93.92 1.54 56.31 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.53 -179.099 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.444 ' OD1' ' O ' ' A' ' 33' ' ' ALA . 51.0 p30 -81.22 -1.82 46.32 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.516 -0.473 . . . . 0.0 110.286 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -62.49 -29.21 70.38 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -61.57 -38.13 86.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.266 179.708 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.22 -35.76 79.88 Favored 'General case' 0 C--N 1.333 -0.132 0 C-N-CA 120.931 -0.308 . . . . 0.0 110.625 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.47 -26.63 68.02 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.407 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.46 -37.79 87.3 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.32 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -61.32 -38.61 87.47 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.551 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -70.41 -22.91 62.68 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.625 0.25 . . . . 0.0 111.003 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.07 -27.7 68.54 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.673 -179.511 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.638 ' N ' HD12 ' A' ' 45' ' ' LEU . 7.7 mp -62.76 -36.75 84.07 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.539 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.35 -36.61 82.76 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.685 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -63.74 -26.52 68.68 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.409 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -87.91 -2.43 58.61 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.208 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 68.0 mt 57.54 28.35 15.45 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.409 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.73 -26.81 68.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.517 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.43 ' O ' ' OD1' ' A' ' 51' ' ' ASP . 67.8 t0 -61.49 -37.76 84.83 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.916 -0.314 . . . . 0.0 110.72 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 92.0 t80 . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.429 179.838 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.387 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.0 p -63.49 -24.13 67.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.947 0.403 . . . . 0.0 110.583 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 54.3 t -65.65 -40.07 86.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.192 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.79 -39.29 93.79 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.722 -178.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.515 ' C ' ' H ' ' A' ' 7' ' ' THR . 16.8 ptpt -84.08 -34.81 24.11 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.702 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.1 tp 51.27 5.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.054 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.515 ' H ' ' C ' ' A' ' 5' ' ' LYS . 81.9 p -134.82 159.29 41.85 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.842 0.353 . . . . 0.0 110.722 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -91.29 -0.68 57.71 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.456 179.525 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -62.09 -29.64 70.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.923 -179.432 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.62 -36.6 79.01 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.641 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.76 -36.57 83.5 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.524 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.8 mt -67.9 -28.51 67.57 Favored 'General case' 0 N--CA 1.463 0.195 0 C-N-CA 120.951 -0.3 . . . . 0.0 110.477 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -61.54 -36.84 81.71 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.592 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -60.98 -38.07 84.67 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.741 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.642 ' N ' HD12 ' A' ' 15' ' ' LEU . 7.9 mp -62.28 -37.12 84.29 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.771 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.23 -37.17 84.35 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.478 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.85 -36.32 82.87 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.459 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -68.73 157.04 37.15 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.8 ptm180 -149.75 170.55 18.47 Favored 'General case' 0 C--N 1.344 0.352 0 CA-C-N 118.171 0.441 . . . . 0.0 110.648 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.52 ' CE1' ' CB ' ' A' ' 23' ' ' ALA . 37.6 t-80 71.88 15.51 5.72 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.172 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -70.17 -35.89 74.3 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.778 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.61 -28.43 69.89 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.915 0.388 . . . . 0.0 110.556 -179.322 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.52 ' CB ' ' CE1' ' A' ' 20' ' ' HIS . . . -61.24 -23.01 65.33 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.453 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -62.54 -37.09 84.75 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.557 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 86.7 mt -64.23 -36.1 82.98 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.118 179.38 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -66.4 -35.28 79.91 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.41 178.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 -65.66 -27.33 68.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.424 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 61.1 tp -61.25 -39.18 89.37 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.315 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -63.34 -36.8 84.9 Favored 'General case' 0 N--CA 1.462 0.133 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.554 179.505 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 75.2 m -61.84 -36.36 80.97 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.989 -0.284 . . . . 0.0 110.671 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -61.38 -36.94 81.63 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.483 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.69 -21.47 64.48 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.959 -179.432 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.407 ' O ' ' CG ' ' A' ' 36' ' ' ASP . . . -59.89 -33.86 72.4 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.539 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.437 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 58.0 t0 -62.57 -23.75 67.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.806 0.336 . . . . 0.0 110.385 179.709 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 63.1 m170 -84.98 1.15 48.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.385 -179.098 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.407 ' CG ' ' O ' ' A' ' 33' ' ' ALA . 48.9 p-10 -79.45 -0.55 33.52 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 120.506 -0.477 . . . . 0.0 110.261 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -62.44 -28.42 69.79 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.936 -179.598 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.32 -35.93 80.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.575 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.13 -35.38 78.58 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 120.932 -0.307 . . . . 0.0 110.672 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.5 -25.99 67.62 Favored 'General case' 0 N--CA 1.462 0.159 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.572 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -62.13 -38.03 87.4 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.14 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -61.3 -37.71 84.22 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.414 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt -66.56 -23.01 66.15 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 120.664 0.268 . . . . 0.0 111.124 -179.655 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.22 -23.19 65.44 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.6 -179.609 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.4 mt -62.98 -36.43 83.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.454 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.51 -38.0 88.23 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 120.751 -0.379 . . . . 0.0 110.407 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.427 ' OD1' ' O ' ' A' ' 47' ' ' ASP . 67.2 t0 -61.59 -36.9 81.99 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.556 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 98.2 mttt 55.32 37.76 29.37 Favored 'General case' 0 N--CA 1.462 0.162 0 C-N-CA 120.975 -0.29 . . . . 0.0 110.565 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.4 tp -62.96 -38.87 92.8 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.505 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.09 -37.01 81.21 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.811 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.5 -37.03 82.18 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.706 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 91.2 t80 . . . . . 0 C--O 1.221 -0.414 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.458 179.985 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 53.3 t . . . . . 0 CA--C 1.533 0.324 0 CA-C-O 120.402 0.144 . . . . 0.0 110.694 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -67.26 -28.2 67.83 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 120.852 -0.339 . . . . 0.0 111.026 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -70.41 -24.89 63.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.721 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 84.9 mt -94.56 -3.94 48.83 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.522 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.2 p 57.47 15.58 2.81 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.542 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.44 -23.26 67.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.646 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 55.4 p30 -84.21 3.69 34.06 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.88 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.14 -37.68 83.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.643 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -64.29 -35.51 81.08 Favored 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 120.916 -0.314 . . . . 0.0 110.526 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.7 mt -63.97 -35.23 80.0 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.737 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -62.8 -37.35 86.37 Favored 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.822 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -61.57 -38.4 87.38 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.442 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.7 mt -63.64 -35.44 80.52 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 121.065 -0.254 . . . . 0.0 110.428 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.68 -36.48 80.98 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.649 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -61.83 -36.63 81.75 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.46 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -63.22 -35.7 81.19 Favored 'General case' 0 CA--C 1.528 0.106 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.627 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -65.7 144.13 57.1 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.875 0.369 . . . . 0.0 110.472 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.603 ' ND1' ' N ' ' A' ' 21' ' ' GLU . 62.9 t-80 -159.37 174.26 15.0 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.07 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.603 ' N ' ' ND1' ' A' ' 20' ' ' HIS . 97.4 mt-10 -62.75 -36.86 84.42 Favored 'General case' 0 C--N 1.34 0.159 0 C-N-CA 120.266 -0.574 . . . . 0.0 110.036 179.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.18 -37.66 88.09 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.14 179.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.24 -37.34 82.72 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 120.681 -0.407 . . . . 0.0 110.675 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -63.81 -37.0 85.75 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.595 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.3 mt -80.95 -16.88 52.28 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.744 0.307 . . . . 0.0 110.371 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.42 -38.28 89.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.568 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 59.2 ttt85 -61.67 -38.05 86.33 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.61 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.616 HD22 ' N ' ' A' ' 28' ' ' LEU . 3.2 mm? -63.51 -37.17 86.27 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.508 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -85.67 -15.45 42.32 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 121.016 -0.274 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.2 p -66.32 -20.81 66.19 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.579 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.419 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 88.5 tt0 -62.14 -39.2 91.77 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.432 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -81.5 -20.62 39.74 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.738 0.304 . . . . 0.0 110.819 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -91.44 -4.13 55.93 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.402 -179.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' A' ' 31' ' ' GLU . 55.1 p30 -80.93 1.08 32.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.021 -179.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -98.95 4.2 47.24 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.905 0.383 . . . . 0.0 110.278 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -62.37 -36.66 82.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.578 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.1 ttmm -61.64 -38.57 88.15 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.419 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.8 mmmt -62.38 -36.67 83.0 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.552 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -65.23 -29.37 70.16 Favored 'General case' 0 C--N 1.333 -0.131 0 C-N-CA 120.931 -0.308 . . . . 0.0 110.484 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.95 -24.77 68.04 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.362 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.17 -37.79 86.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.576 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 59.9 ttp180 -61.37 -38.08 85.71 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.638 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -67.61 -23.32 65.36 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.688 0.28 . . . . 0.0 111.154 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.61 -23.44 66.03 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.772 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.7 mt -66.11 -28.72 69.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.378 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 . . . . . 0 C--N 1.332 -0.188 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.608 -179.948 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.534 ' C ' ' H ' ' A' ' 5' ' ' LYS . 9.8 p . . . . . 0 N--CA 1.463 0.207 0 CA-C-O 120.722 0.296 . . . . 0.0 110.533 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 76.8 tt0 60.46 -5.7 0.1 Allowed 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.081 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.534 ' H ' ' C ' ' A' ' 3' ' ' VAL . 73.1 mmtt 56.33 36.41 27.46 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.1 tp -62.93 -39.09 93.51 Favored 'General case' 0 N--CA 1.463 0.195 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.447 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.5 m 51.42 55.38 9.52 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.821 0.343 . . . . 0.0 110.543 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.07 -26.23 68.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.427 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.426 ' OD1' ' O ' ' A' ' 9' ' ' ASP . 67.3 t0 -61.74 -36.66 81.64 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.674 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.59 -37.01 79.94 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 120.821 -0.351 . . . . 0.0 110.641 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.22 -38.5 89.42 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.402 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.4 mt -64.93 -34.98 79.71 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.503 179.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -66.01 -28.31 68.78 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.679 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -62.06 -36.55 81.97 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.712 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.629 HD22 ' N ' ' A' ' 15' ' ' LEU . 3.2 mm? -63.19 -36.12 82.57 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.23 179.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -65.79 -22.04 66.54 Favored 'General case' 0 C--N 1.333 -0.131 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 54.65 40.07 31.65 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.793 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.519 ' OE1' ' NE2' ' A' ' 20' ' ' HIS . 98.0 mt-10 -62.3 -36.45 82.15 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.622 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 55.37 51.67 12.6 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.046 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.519 ' NE2' ' OE1' ' A' ' 18' ' ' GLU . 92.2 m-70 -66.46 -26.1 67.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.393 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -62.86 -36.88 84.73 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.818 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.426 ' O ' ' OE1' ' A' ' 26' ' ' GLU . 98.6 mt-10 -63.55 -36.85 85.16 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.001 179.521 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.38 -36.06 79.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.655 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -64.77 -28.66 69.73 Favored 'General case' 0 N--CA 1.462 0.166 0 C-N-CA 121.117 -0.233 . . . . 0.0 111.135 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.1 tp -60.68 -39.76 89.64 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.505 -179.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.426 ' OE1' ' O ' ' A' ' 22' ' ' GLU . 60.0 mp0 -64.03 -35.35 80.45 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.274 179.503 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -63.52 -35.71 81.38 Favored 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.797 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.2 tp -60.9 -39.61 89.97 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.634 -0.427 . . . . 0.0 110.464 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.0 mtmm -63.15 -36.31 83.19 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.28 179.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 74.5 m -61.71 -36.53 81.19 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.663 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -61.55 -37.61 84.43 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.119 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.19 -21.06 64.8 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.72 0.295 . . . . 0.0 110.761 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.11 -32.55 71.1 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.57 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -61.0 -36.95 80.82 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.472 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 74.5 m80 -65.57 -34.77 79.02 Favored 'General case' 0 C--N 1.333 -0.113 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.299 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -63.14 -26.06 68.64 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.712 0.291 . . . . 0.0 110.524 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -60.57 -38.47 84.68 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.505 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -62.5 -36.17 81.68 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.254 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -62.46 -27.89 69.43 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.771 0.319 . . . . 0.0 110.672 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.98 -18.28 32.56 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.118 -179.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -58.08 -20.23 38.09 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.206 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -62.95 -35.81 81.37 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.59 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -65.79 -22.18 66.55 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.744 0.307 . . . . 0.0 110.969 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.73 -23.62 65.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.63 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.5 tp -62.0 -38.95 90.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.332 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 . . . . . 0 C--O 1.233 0.193 0 C-N-CA 120.952 -0.299 . . . . 0.0 110.625 179.992 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 53.4 t . . . . . 0 CA--C 1.532 0.266 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.83 -36.65 83.89 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.711 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -68.59 -23.41 64.47 Favored 'General case' 0 C--O 1.232 0.165 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.9 tp 44.23 28.07 0.26 Allowed 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.411 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.481 ' CG2' ' OD1' ' A' ' 9' ' ' ASP . 95.9 m -115.35 126.79 54.86 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.416 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -112.86 -3.15 14.19 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.183 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.481 ' OD1' ' CG2' ' A' ' 7' ' ' THR . 55.0 p30 -86.09 4.14 39.45 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.809 0.338 . . . . 0.0 110.808 -179.578 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.39 -25.54 67.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.594 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -63.57 -36.4 83.66 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.672 -179.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.1 mt -63.39 -38.21 90.25 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.626 -178.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.435 ' OE1' ' O ' ' A' ' 9' ' ' ASP . 25.4 mp0 -64.02 -37.25 86.74 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.42 -179.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.462 ' NH2' ' CD ' ' A' ' 26' ' ' GLU . 78.0 mtm180 -62.56 -36.47 82.77 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 120.449 -0.5 . . . . 0.0 110.625 -179.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.6 tp -62.01 -38.84 90.16 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 120.726 -0.389 . . . . 0.0 110.392 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -64.98 -26.14 68.16 Favored 'General case' 0 C--O 1.231 0.117 0 C-N-CA 120.834 -0.347 . . . . 0.0 110.611 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 54.43 39.58 31.13 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.41 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.98 -38.3 88.05 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.765 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 90.6 mtm180 -121.71 129.69 52.91 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.867 0.365 . . . . 0.0 110.624 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -69.58 -35.61 75.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.21 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 23.4 pm0 -67.05 -20.54 65.85 Favored 'General case' 0 C--O 1.232 0.136 0 C-N-CA 120.936 -0.305 . . . . 0.0 111.603 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.83 -38.34 87.8 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.445 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.47 -36.49 80.58 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.6 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -63.38 -36.0 82.25 Favored 'General case' 0 N--CA 1.462 0.167 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.811 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 90.2 mt -68.02 -25.13 65.23 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 120.971 -0.292 . . . . 0.0 110.629 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.462 ' CD ' ' NH2' ' A' ' 14' ' ' ARG . 88.5 tt0 -60.81 -37.85 83.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.775 -179.504 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 91.5 mtm180 -63.22 -36.77 84.76 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.697 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.622 HD22 ' N ' ' A' ' 28' ' ' LEU . 3.2 mm? -63.19 -36.62 84.25 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.544 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.19 -38.77 87.73 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.661 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 94.4 p -62.23 -30.22 70.94 Favored 'General case' 0 C--N 1.334 -0.068 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.633 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -62.84 -39.49 94.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.807 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.63 -36.67 81.41 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.059 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -95.32 22.33 6.99 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 111.604 0.224 . . . . 0.0 111.604 -179.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 53.6 p-10 -81.68 2.66 28.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.784 0.326 . . . . 0.0 110.467 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -98.09 6.29 47.73 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.98 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 56.0 p30 -85.88 3.13 43.14 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.342 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.11 -36.51 81.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.72 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -61.14 -38.26 85.79 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.353 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.43 -35.63 79.85 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.526 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.72 -26.69 68.21 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.481 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -62.13 -38.02 87.35 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 -62.17 -36.59 82.34 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.301 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -62.83 -36.82 84.45 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.621 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.39 -21.61 60.16 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.2 -178.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.4 mt -65.28 -29.7 70.49 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.27 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 . . . . . 0 CA--C 1.531 0.225 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.235 179.941 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.4 m . . . . . 0 N--CA 1.468 0.45 0 CA-C-O 120.812 0.339 . . . . 0.0 110.49 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -65.84 -28.97 69.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.618 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.19 -37.12 84.06 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.699 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.631 ' N ' HD12 ' A' ' 6' ' ' LEU . 7.9 mp -63.11 -36.94 85.26 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.754 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 73.2 p -84.89 -9.06 58.49 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.745 0.307 . . . . 0.0 110.724 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.94 -25.75 68.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.426 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -62.95 -29.36 70.74 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.534 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.61 -27.63 68.79 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.487 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.37 -36.65 82.92 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.671 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.7 mt -67.89 -28.66 67.7 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 120.924 -0.311 . . . . 0.0 110.349 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.1 tp-100 -61.79 -36.34 80.8 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.456 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 42.6 ttm105 -60.74 -37.8 82.99 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.529 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.611 HD22 ' N ' ' A' ' 15' ' ' LEU . 3.3 mm? -62.63 -36.87 84.17 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 120.594 -0.443 . . . . 0.0 110.306 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -61.86 -38.95 90.18 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.431 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -79.37 -12.68 59.91 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.821 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.37 -36.84 85.04 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.411 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 56.23 38.05 29.43 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.93 0.395 . . . . 0.0 110.325 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -61.9 -38.61 89.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.832 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -62.17 -37.65 86.06 Favored 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.856 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.03 -36.01 83.01 Favored 'General case' 0 N--CA 1.462 0.145 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.145 179.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.63 -26.16 67.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.498 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -62.11 -37.16 84.05 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.628 ' N ' HD22 ' A' ' 25' ' ' LEU . 3.2 mm? -61.98 -36.99 83.12 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.254 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.58 -36.34 83.48 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.009 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -68.4 -18.3 64.42 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -179.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 91.6 mt -63.98 -28.9 70.13 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 120.889 -0.324 . . . . 0.0 111.678 -179.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 63.2 pttt -55.23 -29.93 58.99 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 120.393 -0.523 . . . . 0.0 110.706 -178.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 73.7 m -61.67 -37.41 83.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.52 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -62.83 -37.02 85.16 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.127 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.57 -20.46 63.32 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.888 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.8 -33.96 72.42 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.382 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.79 -36.42 81.05 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.847 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -88.4 -8.48 54.95 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.687 0.279 . . . . 0.0 110.853 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -74.44 -13.16 60.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.442 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.2 pttm -60.52 -26.82 67.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -62.3 -36.89 83.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.403 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.5 -33.8 76.38 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 121.095 -0.242 . . . . 0.0 110.677 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.55 -25.66 66.33 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 120.954 -0.298 . . . . 0.0 110.966 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.03 -36.37 81.35 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.492 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -61.68 -37.92 85.87 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.512 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -66.62 -22.89 66.12 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.033 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.25 -23.36 65.59 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.679 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.6 tp -61.8 -39.23 91.02 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.486 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 CA--C 1.529 0.163 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.545 -179.948 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 53.7 t . . . . . 0 CA--C 1.531 0.231 0 CA-C-O 120.662 0.268 . . . . 0.0 110.302 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -59.97 -35.32 74.73 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.845 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -60.75 -37.57 82.25 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 120.952 -0.299 . . . . 0.0 111.296 -179.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.579 ' N ' HD12 ' A' ' 6' ' ' LEU . 8.6 mp -62.94 -37.11 85.72 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.72 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 76.6 p -81.87 -11.39 58.95 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.803 0.335 . . . . 0.0 110.645 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 53.03 26.97 5.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.526 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -62.56 -35.28 78.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.555 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.93 -28.55 69.02 Favored 'General case' 0 C--O 1.232 0.178 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.662 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -68.03 -27.94 66.96 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.367 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.7 mt -63.18 -38.38 90.93 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.038 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -65.0 -36.53 84.7 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.809 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 77.4 mtp85 -62.29 -36.75 83.07 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.524 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.6 mt -63.29 -36.28 83.15 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.275 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -65.61 -24.57 67.09 Favored 'General case' 0 C--N 1.334 -0.084 0 CA-C-O 120.783 0.325 . . . . 0.0 110.564 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 32.6 m120 55.57 38.7 30.54 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.417 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.19 -37.91 87.11 Favored 'General case' 0 N--CA 1.463 0.187 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.488 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 66.45 96.53 0.05 Allowed 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.3 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -88.98 -3.97 58.57 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.422 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -64.65 -36.91 85.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.505 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -65.88 -34.89 79.18 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.868 0.366 . . . . 0.0 110.242 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.12 -26.87 67.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.706 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -62.95 -36.55 83.83 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.421 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.3 tp -62.2 -38.9 90.9 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.91 -37.98 86.65 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.259 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 72.0 ttp85 -61.48 -37.67 84.49 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.15 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.3 tp -62.05 -38.68 89.67 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.262 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -61.38 -38.94 88.84 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.623 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 95.6 p -62.95 -30.33 71.49 Favored 'General case' 0 C--O 1.231 0.092 0 C-N-CA 120.801 -0.359 . . . . 0.0 110.529 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -62.66 -39.63 94.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.756 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.78 -36.9 82.42 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.894 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -96.37 23.04 7.09 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 120.632 0.254 . . . . 0.0 111.223 -179.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.503 ' OD1' ' CE1' ' A' ' 35' ' ' HIS . 66.1 t0 -68.92 129.43 39.91 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.835 0.35 . . . . 0.0 110.528 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.503 ' CE1' ' OD1' ' A' ' 34' ' ' ASP . 25.0 m80 65.41 4.12 2.59 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.189 -179.418 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -89.92 -10.86 43.57 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.039 0.447 . . . . 0.0 109.883 179.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -62.46 -36.52 82.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.493 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -62.21 -36.48 82.06 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.501 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.96 -38.08 87.16 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.392 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.93 -37.18 81.41 Favored 'General case' 0 N--CA 1.462 0.175 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.317 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -63.55 -35.71 81.39 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.47 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -62.52 -36.91 84.07 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.558 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.476 ' NZ ' ' OE1' ' A' ' 46' ' ' GLU . 58.8 tptt -62.28 -37.27 84.88 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.433 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.12 -20.01 49.71 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.775 0.321 . . . . 0.0 111.043 -178.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.3 tp -61.17 -39.01 88.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.432 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.476 ' OE1' ' NZ ' ' A' ' 43' ' ' LYS . 98.9 mt-10 . . . . . 0 CA--C 1.529 0.146 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.413 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 53.3 t . . . . . 0 CA--C 1.531 0.233 0 N-CA-C 110.575 -0.157 . . . . 0.0 110.575 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -62.24 -38.88 90.93 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.409 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -66.34 -28.76 68.92 Favored 'General case' 0 C--N 1.333 -0.125 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.638 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.4 tp -62.43 -39.1 92.22 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.708 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 75.7 p -82.57 -12.18 57.91 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.797 0.332 . . . . 0.0 110.614 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 46.67 28.11 0.75 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.48 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -64.14 -27.06 68.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.536 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.44 -28.31 69.18 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.647 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.39 -36.68 83.07 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.694 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.1 mt -63.96 -36.27 83.42 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.362 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.519 ' NE2' ' OE2' ' A' ' 22' ' ' GLU . 53.5 tt0 -62.32 -36.44 82.17 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.47 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.08 -34.92 77.19 Favored 'General case' 0 C--N 1.333 -0.143 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.569 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.4 tp -59.9 -38.14 81.43 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -60.6 -36.07 77.67 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 62.5 t30 60.3 40.2 18.01 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 178.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -141.78 154.5 45.28 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 96.2 mtt-85 58.06 57.05 4.25 Favored 'General case' 0 C--N 1.349 0.584 0 CA-C-N 118.435 0.561 . . . . 0.0 111.538 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -88.37 -1.71 58.19 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.529 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.7 -38.3 89.86 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.453 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.519 ' OE2' ' NE2' ' A' ' 13' ' ' GLN . 23.4 pt-20 -61.88 -19.95 63.2 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.673 -179.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.2 -37.37 82.75 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.713 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.02 -37.33 87.02 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.357 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.635 ' N ' HD12 ' A' ' 25' ' ' LEU . 7.6 mp -64.14 -36.15 83.09 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 121.032 -0.267 . . . . 0.0 110.389 179.584 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.08 -38.16 87.76 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.469 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 89.3 mmt-85 -82.43 -17.43 45.42 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 59.8 tp -63.19 -40.32 97.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.419 -179.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -67.63 -22.73 65.32 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 120.546 -0.462 . . . . 0.0 111.259 -179.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 74.3 m -61.76 -37.73 85.38 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.735 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.91 -38.05 89.42 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.3 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.1 -22.48 66.95 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.879 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.41 -31.67 70.61 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.589 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.07 -36.65 80.18 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.621 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -61.12 -39.64 90.78 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 120.691 -0.403 . . . . 0.0 110.698 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.76 -37.17 83.28 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.571 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.21 -36.4 83.5 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.619 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.5 mmtp -65.48 -25.28 67.42 Favored 'General case' 0 C--N 1.334 -0.108 0 C-N-CA 120.978 -0.289 . . . . 0.0 110.453 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -62.17 -28.38 69.62 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.547 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.49 -18.12 37.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.056 -179.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -58.01 -19.58 32.15 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.247 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 71.6 ttp85 -61.23 -37.8 84.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.387 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -66.86 -22.75 65.98 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.633 0.254 . . . . 0.0 110.977 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.21 -23.58 65.72 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.685 -179.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.7 mt -69.55 -21.01 63.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.749 0.309 . . . . 0.0 110.321 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.977 -179.656 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.2 m . . . . . 0 N--CA 1.468 0.447 0 CA-C-O 120.791 0.329 . . . . 0.0 110.677 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.13 -36.65 84.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.781 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt 54.43 37.4 27.62 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.371 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.0 tp -62.84 -39.18 93.59 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 120.946 -0.302 . . . . 0.0 110.61 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.429 ' CG2' ' OD1' ' A' ' 9' ' ' ASP . 8.8 t -152.53 150.01 29.12 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-O 120.718 0.294 . . . . 0.0 110.853 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -82.45 -14.29 55.35 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.429 ' OD1' ' CG2' ' A' ' 7' ' ' THR . 57.0 p30 -89.07 7.04 36.99 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.528 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.99 -36.78 80.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.542 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.4 -36.14 81.4 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.611 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.9 mt -63.72 -36.12 82.82 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.511 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -63.49 -37.07 85.87 Favored 'General case' 0 N--CA 1.462 0.148 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.555 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.524 ' NH1' ' OE2' ' A' ' 26' ' ' GLU . 63.3 ttm-85 -61.46 -37.95 85.46 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 61.6 tp -62.6 -38.37 89.91 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.129 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -61.06 -37.12 81.5 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 116.73 -0.214 . . . . 0.0 110.657 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 41.8 t-20 -79.23 68.84 5.31 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.504 -179.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -64.3 -19.41 65.4 Favored 'General case' 0 C--N 1.34 0.171 0 CA-C-O 120.73 0.3 . . . . 0.0 110.911 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 91.6 mtm180 -58.7 141.3 53.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.01 0.433 . . . . 0.0 110.88 -179.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 56.1 p-80 -72.09 -8.76 56.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.897 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.15 -37.72 80.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.478 -179.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -61.92 -38.48 88.57 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.217 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.41 -37.36 83.2 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.668 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -64.02 -36.61 84.55 Favored 'General case' 0 N--CA 1.462 0.151 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.593 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.1 tp -62.19 -38.71 90.15 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.375 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.524 ' OE2' ' NH1' ' A' ' 14' ' ' ARG . 95.2 mt-10 -86.26 -16.92 36.11 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 120.837 0.351 . . . . 0.0 110.289 179.384 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 63.3 ttm-85 -61.51 -37.74 84.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.423 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.4 tp -62.32 -38.98 91.56 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 120.634 -0.427 . . . . 0.0 110.453 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -63.1 -36.78 84.75 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.957 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 98.0 p -63.53 -21.66 66.45 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.783 0.325 . . . . 0.0 110.72 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.48 -38.13 86.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.252 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.67 -36.39 80.72 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 121.07 -0.252 . . . . 0.0 111.065 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -94.35 21.49 7.01 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -179.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.513 ' OD1' ' ND1' ' A' ' 35' ' ' HIS . 53.3 p-10 -83.23 5.2 23.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.186 0.517 . . . . 0.0 109.899 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.513 ' ND1' ' OD1' ' A' ' 34' ' ' ASP . 80.3 m80 -98.43 23.5 8.41 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 178.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 62.04 36.26 15.51 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.973 -179.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -63.36 -38.65 91.97 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.083 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -62.71 -37.0 84.78 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 120.894 -0.323 . . . . 0.0 110.67 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.6 -36.1 81.67 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.639 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.04 -25.88 67.93 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.491 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.15 -38.07 87.6 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.436 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.91 -36.28 82.85 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.645 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -70.77 -20.11 62.64 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.689 0.28 . . . . 0.0 110.446 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.74 -24.4 66.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.491 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.6 tp -61.97 -38.81 89.95 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.356 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 . . . . . 0 CA--C 1.53 0.19 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.429 179.915 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.2 p . . . . . 0 N--CA 1.464 0.235 0 CA-C-O 120.634 0.254 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.436 ' O ' ' O ' ' A' ' 7' ' ' THR . 98.5 mt-10 -62.52 -36.16 81.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.691 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.1 -38.15 85.29 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.495 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.6 ' N ' HD22 ' A' ' 6' ' ' LEU . 3.2 mm? -63.01 -36.49 83.73 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.763 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.436 ' O ' ' O ' ' A' ' 4' ' ' GLU . 99.6 m -106.07 125.07 50.55 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 120.856 0.36 . . . . 0.0 110.816 -179.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -82.32 -19.23 39.8 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.952 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -64.43 -26.69 68.56 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.462 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.77 -26.91 68.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.421 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.48 -36.66 83.19 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.64 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.2 mt -64.11 -35.88 82.2 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.415 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -63.72 -36.47 83.97 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.504 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.07 -36.75 82.6 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.625 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.6 mt -63.19 -36.37 83.42 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.422 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -65.15 -26.6 68.25 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 120.955 -0.298 . . . . 0.0 110.584 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 54.49 39.41 31.06 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.801 -0.359 . . . . 0.0 110.562 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 55.71 34.31 23.08 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.472 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 44.02 -124.09 0.9 Allowed 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.676 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.436 ' O ' ' OE1' ' A' ' 24' ' ' GLU . 58.8 m170 57.32 28.76 15.74 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.505 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -67.02 -38.51 86.06 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.783 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -66.87 -27.0 67.16 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.817 0.341 . . . . 0.0 110.878 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.04 -37.84 80.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.985 -179.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.436 ' OE1' ' O ' ' A' ' 20' ' ' HIS . 60.5 mp0 -63.76 -36.61 84.43 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.32 179.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.3 tp -62.97 -38.66 92.02 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 120.981 -0.287 . . . . 0.0 110.513 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.61 -38.28 87.05 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.653 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -63.6 -36.98 85.61 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.659 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.7 mt -85.02 -15.05 45.44 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.821 0.343 . . . . 0.0 110.256 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.53 -38.6 88.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.569 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 91.1 p -62.03 -33.28 74.08 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 120.947 -0.301 . . . . 0.0 110.639 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -62.57 -39.29 93.19 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.296 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -79.89 -18.58 50.26 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.747 0.308 . . . . 0.0 110.949 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.4 -15.33 50.21 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.07 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -91.75 110.14 21.47 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.102 -179.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.526 ' O ' ' CG ' ' A' ' 35' ' ' HIS . 85.4 t60 52.67 28.36 6.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.386 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -156.46 7.34 0.19 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.102 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -61.36 -31.73 71.63 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.234 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt -62.76 -36.87 84.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.833 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.525 ' OE1' ' NH1' ' A' ' 42' ' ' ARG . 80.4 mm-40 -67.46 -24.59 65.63 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.759 0.314 . . . . 0.0 110.631 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.41 -20.74 65.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.466 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.44 -35.87 78.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.805 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.525 ' NH1' ' OE1' ' A' ' 39' ' ' GLU . 88.6 mtm180 -62.13 -37.03 83.6 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.468 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -63.86 -36.08 82.76 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.5 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.55 -22.04 61.13 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.128 -178.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.1 mt -66.27 -28.38 68.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.354 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 . . . . . 0 C--N 1.331 -0.226 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.548 -179.9 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.6 m . . . . . 0 N--CA 1.468 0.459 0 CA-C-O 120.555 0.216 . . . . 0.0 111.302 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.471 ' HG3' ' H ' ' A' ' 6' ' ' LEU . 24.6 pt-20 -66.24 -20.54 66.15 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.82 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt 53.67 41.26 32.12 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.079 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.471 ' H ' ' HG3' ' A' ' 4' ' ' GLU . 94.8 mt -102.34 4.47 39.05 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 120.766 0.317 . . . . 0.0 110.398 179.454 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 98.2 m -112.42 126.35 55.2 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.729 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.43 -20.78 39.66 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.419 ' O ' ' OE1' ' A' ' 13' ' ' GLN . 97.8 m-20 -65.07 -27.3 68.68 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.581 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.88 -23.98 66.64 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.56 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.62 -38.3 89.68 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.302 -179.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.2 mt -63.36 -39.16 93.78 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 120.522 -0.471 . . . . 0.0 111.151 -179.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.419 ' OE1' ' O ' ' A' ' 9' ' ' ASP . 26.0 mp0 -65.48 -36.94 85.37 Favored 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 120.694 -0.403 . . . . 0.0 110.952 179.674 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.37 -36.66 82.96 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.514 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.8 mt -64.21 -33.41 75.73 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.271 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -60.13 -38.54 83.38 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 121.024 -0.27 . . . . 0.0 110.739 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 63.4 t30 55.94 40.08 30.5 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 120.754 -0.379 . . . . 0.0 110.709 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 54.6 33.08 18.36 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 120.944 -0.303 . . . . 0.0 110.76 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.419 ' HG2' ' H ' ' A' ' 22' ' ' GLU . 43.8 ttm180 46.57 77.68 0.08 Allowed 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.586 179.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 34.1 p80 -66.75 -18.14 65.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.332 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -62.9 -38.1 89.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.139 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.419 ' H ' ' HG2' ' A' ' 19' ' ' ARG . 88.5 tt0 -62.4 -37.6 86.43 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.444 179.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.97 -29.82 69.9 Favored 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.406 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.88 -38.16 87.27 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.278 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 85.6 mt -64.01 -36.12 82.95 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.347 179.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -62.24 -37.31 84.9 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.634 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -61.12 -38.11 85.2 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.598 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.8 tp -62.61 -39.02 92.46 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.336 179.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.99 -38.7 89.57 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.699 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 93.5 p -61.89 -33.78 74.83 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.808 0.337 . . . . 0.0 110.62 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.77 -37.75 87.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.363 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.18 -21.24 66.08 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.898 -179.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.0 -34.26 73.09 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.448 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -83.87 71.3 10.48 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.862 0.363 . . . . 0.0 110.027 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 63.9 t-80 -155.09 -21.0 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.171 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 55.6 p30 -82.47 0.23 43.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.59 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -63.97 -24.88 67.89 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.602 -179.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -58.99 -17.34 24.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.108 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -59.67 -21.26 60.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.432 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.0 -26.55 68.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.379 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.7 -36.25 82.35 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.635 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -62.46 -37.08 84.53 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 120.909 -0.317 . . . . 0.0 110.649 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -68.67 -23.96 64.46 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.709 0.29 . . . . 0.0 111.017 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.11 -22.65 65.99 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.615 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.7 mt -70.55 -20.39 62.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.513 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.078 -179.406 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.8 p . . . . . 0 N--CA 1.464 0.246 0 CA-C-O 120.868 0.366 . . . . 0.0 110.524 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.37 -38.05 88.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.766 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -62.07 -37.0 83.37 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.813 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.643 ' N ' HD12 ' A' ' 6' ' ' LEU . 8.0 mp -63.05 -35.91 81.8 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.731 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.415 ' OG1' ' OD1' ' A' ' 9' ' ' ASP . 70.4 p -78.89 163.32 25.38 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.949 0.404 . . . . 0.0 110.785 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -85.08 -2.68 58.27 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.117 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.415 ' OD1' ' OG1' ' A' ' 7' ' ' THR . 55.4 p30 -80.1 0.35 32.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.805 0.336 . . . . 0.0 110.54 -179.667 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.61 -25.45 68.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.463 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -64.54 -25.8 68.14 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.256 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.4 mt -63.84 -36.86 85.29 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.323 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -65.5 -35.55 81.21 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.506 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 26.0 mmt85 -65.05 -24.58 67.51 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 -179.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.7 tp -61.83 -39.77 92.98 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.239 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.426 ' O ' ' OE1' ' A' ' 22' ' ' GLU . 73.1 mmtt -73.46 -21.8 60.35 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -108.5 18.98 20.34 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.292 -179.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -61.22 -22.51 64.85 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.044 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 38.2 mmt180 -72.99 138.58 46.11 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.084 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -61.94 -41.15 97.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.062 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.4 -38.31 90.65 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.551 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.426 ' OE1' ' O ' ' A' ' 16' ' ' LYS . 95.7 mt-10 -64.27 -36.62 84.69 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.791 0.329 . . . . 0.0 110.371 179.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.2 -37.14 81.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.639 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -64.25 -35.84 82.13 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.733 179.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.0 mt -82.54 -15.39 52.52 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.824 0.345 . . . . 0.0 110.628 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -60.97 -37.46 82.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 -57.38 -23.87 51.83 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.571 -179.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.3 tp -62.56 -39.12 92.64 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.711 -0.395 . . . . 0.0 110.381 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -63.26 -36.67 84.44 Favored 'General case' 0 N--CA 1.462 0.166 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.555 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 75.2 m -61.83 -36.85 82.37 Favored 'General case' 0 C--N 1.333 -0.152 0 C-N-CA 121.005 -0.278 . . . . 0.0 110.748 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.06 -37.91 86.79 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.463 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.43 -22.35 66.83 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.645 0.259 . . . . 0.0 110.903 -179.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.2 -33.09 71.74 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.816 -0.353 . . . . 0.0 110.501 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 35' ' ' HIS . 65.8 t0 -64.94 137.02 57.48 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.428 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.522 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 22.1 m80 67.12 1.06 2.24 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.144 -179.224 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -70.06 -33.79 72.37 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 178.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -68.5 -22.94 64.51 Favored 'General case' 0 N--CA 1.461 0.088 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.456 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp -66.08 -24.44 66.71 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.248 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.02 -35.12 79.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.705 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.16 -24.58 67.26 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 121.031 -0.268 . . . . 0.0 110.862 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -64.97 -25.61 67.94 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.516 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -62.78 -36.28 82.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.673 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 56.9 mtmt -66.94 -22.31 65.94 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.671 0.272 . . . . 0.0 110.922 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.76 -23.7 65.18 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.636 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.8 tp -62.0 -38.87 90.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.48 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 . . . . . 0 CA--C 1.53 0.193 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.49 179.849 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.8 p . . . . . 0 CA--C 1.529 0.146 0 CA-C-O 120.832 0.349 . . . . 0.0 110.571 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -63.67 -36.29 83.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.734 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.3 mmmt -65.23 -27.13 68.45 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.512 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.4 tp -62.44 -39.13 92.34 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.647 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 77.5 p -80.76 163.33 23.58 Favored 'General case' 0 N--CA 1.461 0.107 0 CA-C-O 120.926 0.393 . . . . 0.0 110.808 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.48 -12.38 60.03 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.459 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.27 -35.5 77.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.708 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.06 -26.04 67.36 Favored 'General case' 0 N--CA 1.463 0.195 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.645 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.92 -38.87 90.04 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.671 -0.412 . . . . 0.0 110.227 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.5 mt -65.25 -35.07 79.92 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.254 179.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -63.53 -36.24 83.14 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.655 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -60.32 -38.05 82.52 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.655 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 91.9 mt -62.78 -37.67 87.56 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.296 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -63.74 -36.48 84.0 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 120.971 -0.292 . . . . 0.0 110.291 179.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 60.7 t30 57.4 35.86 26.45 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.087 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.534 ' O ' ' CD2' ' A' ' 20' ' ' HIS . 97.4 mt-10 -93.49 -3.72 52.47 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.854 0.359 . . . . 0.0 110.401 179.139 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -64.1 -39.7 94.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.697 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.534 ' CD2' ' O ' ' A' ' 18' ' ' GLU . 87.5 m-70 61.64 12.14 4.37 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.989 -179.597 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -67.12 -37.27 83.59 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.355 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.94 -36.9 84.97 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.798 0.332 . . . . 0.0 110.413 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.1 -37.59 83.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.707 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.16 -36.67 84.81 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.653 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.3 tp -62.07 -36.39 81.51 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.578 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.5 tm-20 -58.88 -34.76 72.01 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.956 -0.298 . . . . 0.0 111.005 -179.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.4 mtt85 -61.92 -37.53 85.0 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.762 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.592 HD22 ' N ' ' A' ' 28' ' ' LEU . 3.0 mm? -64.82 -34.6 78.75 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.459 179.524 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.4 ttmm -60.26 -36.76 78.54 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.66 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 94.4 p -61.65 -23.31 65.97 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.686 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.85 -36.74 84.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.284 179.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.55 -20.36 63.17 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.908 -179.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.78 -33.81 72.19 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.486 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.429 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 67.6 t0 -61.17 -37.2 82.06 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.41 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 64.0 t-80 -61.99 -37.67 85.72 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.469 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.429 ' O ' ' OD1' ' A' ' 36' ' ' ASP . 67.5 t0 -61.43 -37.06 82.14 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 120.829 -0.349 . . . . 0.0 110.554 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -62.08 -36.46 81.74 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 120.899 -0.32 . . . . 0.0 110.62 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -61.15 -38.45 86.47 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.454 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.15 -37.9 86.93 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.441 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.11 -36.88 80.88 Favored 'General case' 0 N--CA 1.463 0.187 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.444 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.78 -36.17 82.25 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.501 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 79.0 ttt-85 -61.26 -37.96 84.97 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.567 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -67.9 -23.35 65.09 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.693 0.282 . . . . 0.0 111.13 -179.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.17 -25.89 67.33 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.738 -179.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.4 mt -72.73 -17.97 61.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.719 0.295 . . . . 0.0 110.413 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.722 -179.594 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 30.7 m . . . . . 0 N--CA 1.472 0.648 0 N-CA-C 111.511 0.189 . . . . 0.0 111.511 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.448 ' O ' ' O ' ' A' ' 7' ' ' THR . 96.8 mt-10 -62.73 -36.63 83.6 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.904 -0.319 . . . . 0.0 110.85 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.422 ' O ' ' OD2' ' A' ' 9' ' ' ASP . 68.8 mttm -70.42 -20.22 62.93 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 121.11 -0.236 . . . . 0.0 110.999 -179.684 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 83.9 mt -93.44 1.5 56.82 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.287 -179.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.448 ' O ' ' O ' ' A' ' 4' ' ' GLU . 13.2 t -151.91 158.79 43.66 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.893 0.378 . . . . 0.0 110.806 179.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 55.8 31.31 17.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.483 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.422 ' OD2' ' O ' ' A' ' 5' ' ' LYS . 96.9 m-20 -75.15 -10.05 59.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.559 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.13 -26.72 67.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.127 -179.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -62.95 -26.82 69.0 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.978 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.3 mt -64.41 -35.7 81.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.373 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -66.42 -29.83 70.06 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 121.011 -0.275 . . . . 0.0 110.731 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -60.42 -38.68 84.84 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.783 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.1 mt -63.58 -36.64 84.47 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.522 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -62.75 -36.54 83.38 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.73 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 32.5 m120 -67.05 -25.9 66.49 Favored 'General case' 0 C--N 1.333 -0.129 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.71 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 54.95 38.38 30.36 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.803 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 73.1 mtp85 56.03 44.93 24.64 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.806 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 64.1 t-80 -63.84 -26.29 68.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.984 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -58.14 -31.82 67.57 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.774 -178.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -54.52 -19.81 6.56 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 120.365 -0.534 . . . . 0.0 110.616 -178.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.81 -24.93 68.0 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.399 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.56 -35.77 81.6 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.751 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.1 tp -61.3 -38.77 88.01 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.579 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.95 -37.97 86.75 Favored 'General case' 0 N--CA 1.463 0.207 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.621 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 78.9 ttt-85 -61.28 -37.63 83.86 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.598 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.3 tp -62.17 -39.1 91.53 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.65 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -62.87 -37.15 85.74 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.038 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 98.4 p -63.43 -22.79 67.09 Favored 'General case' 0 C--N 1.333 -0.118 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.716 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.65 -38.9 92.12 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.529 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.34 -37.88 87.36 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 121.157 -0.217 . . . . 0.0 111.385 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -96.92 21.8 9.18 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 120.774 0.321 . . . . 0.0 111.336 -179.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -86.36 107.88 18.2 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.448 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.525 ' O ' ' ND1' ' A' ' 35' ' ' HIS . 59.3 t-80 55.04 31.96 17.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.963 -179.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 53.82 35.28 21.16 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.163 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -62.59 -39.64 94.37 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.077 -179.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -61.38 -38.77 88.25 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.597 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.39 -36.6 82.81 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 120.95 -0.3 . . . . 0.0 110.996 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.99 -37.46 82.55 Favored 'General case' 0 N--CA 1.463 0.187 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.636 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.58 -35.8 81.7 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.688 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.12 -36.49 81.91 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 121.032 -0.267 . . . . 0.0 110.952 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -66.3 -22.58 66.29 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.714 0.293 . . . . 0.0 111.064 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.77 -23.83 65.29 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.423 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 98.2 mt -64.51 -33.08 75.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.377 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 . . . . . 0 CA--C 1.53 0.208 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.746 -179.72 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.3 m . . . . . 0 N--CA 1.469 0.513 0 CA-C-O 120.781 0.324 . . . . 0.0 110.609 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -63.35 -36.6 84.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.717 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -67.02 -27.15 67.17 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.692 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 86.1 mt -97.16 -0.68 46.5 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.633 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.542 HG22 ' H ' ' A' ' 9' ' ' ASP . 93.8 m -117.86 128.6 55.0 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.817 0.341 . . . . 0.0 110.475 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -115.77 26.31 10.1 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.732 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.542 ' H ' HG22 ' A' ' 7' ' ' THR . 55.0 p30 -82.52 2.39 33.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.852 0.358 . . . . 0.0 110.769 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.18 -27.71 69.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.377 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.61 -36.74 83.74 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.686 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.8 mt -64.2 -36.25 83.45 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.536 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -62.69 -37.44 86.46 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.777 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 78.9 ttt-85 -61.67 -38.49 87.97 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.703 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.6 mt -63.46 -36.93 85.38 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.61 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -72.57 -17.38 61.71 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.883 0.373 . . . . 0.0 110.31 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -61.44 -35.74 78.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.564 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.18 -36.49 82.06 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.812 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -92.4 113.78 26.15 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.532 ' CE1' ' OE2' ' A' ' 21' ' ' GLU . 56.0 p-80 -81.47 -15.96 53.43 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.221 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.532 ' OE2' ' CE1' ' A' ' 20' ' ' HIS . 57.2 mp0 -64.55 -35.83 82.23 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.599 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -61.8 -38.59 88.66 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.154 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.54 -37.13 82.66 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.549 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -63.65 -36.36 83.59 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.616 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 94.7 mt -84.83 -15.59 44.27 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.802 0.334 . . . . 0.0 110.39 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.38 -37.3 82.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.045 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -58.04 -22.2 48.91 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.585 -179.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.2 tp -62.3 -38.85 90.97 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.335 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -61.19 -38.26 85.89 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.352 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.4 t -60.99 -39.09 88.32 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 120.859 -0.337 . . . . 0.0 110.649 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.43 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 97.4 mt-10 -63.43 -34.89 78.73 Favored 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.783 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.507 ' O ' ' ND1' ' A' ' 35' ' ' HIS . . . -59.46 -22.95 62.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.21 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.94 -24.06 67.58 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.44 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.43 ' OD1' ' O ' ' A' ' 31' ' ' GLU . 54.5 p30 -77.51 4.19 11.74 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.597 -179.537 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.507 ' ND1' ' O ' ' A' ' 32' ' ' ALA . 52.8 p-80 -62.58 -20.56 64.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.249 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.38 -36.39 80.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.459 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -61.15 -37.97 84.75 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.311 179.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.75 -36.76 81.94 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.552 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -61.92 -38.1 87.17 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.019 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.3 -36.17 79.38 Favored 'General case' 0 N--CA 1.462 0.138 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.506 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.16 -36.73 82.74 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.644 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -61.8 -38.21 87.26 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.436 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt -68.04 -22.71 64.95 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.637 0.256 . . . . 0.0 111.016 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.75 -25.89 66.81 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.856 -0.337 . . . . 0.0 110.705 -179.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.8 tp -62.16 -39.43 92.62 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.328 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 . . . . . 0 C--O 1.232 0.155 0 C-N-CA 121.027 -0.269 . . . . 0.0 110.872 179.875 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.434 ' C ' ' H ' ' A' ' 5' ' ' LYS . 35.0 m . . . . . 0 CA--C 1.545 0.76 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 76.5 -26.87 0.18 Allowed 'General case' 0 C--N 1.35 0.607 0 CA-C-N 118.482 0.583 . . . . 0.0 110.731 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.434 ' H ' ' C ' ' A' ' 3' ' ' VAL . 48.1 mmtm -102.2 2.49 37.28 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.376 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 85.9 mt -96.24 2.92 53.34 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.553 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.414 ' CG2' ' OD1' ' A' ' 9' ' ' ASP . 9.0 t -150.53 148.91 29.26 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.868 0.366 . . . . 0.0 110.824 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -89.43 -7.12 55.79 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.861 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.414 ' OD1' ' CG2' ' A' ' 7' ' ' THR . 55.6 p30 -84.88 4.75 31.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.565 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.35 -36.92 81.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.01 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -62.42 -27.69 69.27 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.957 -179.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.6 mt -67.28 -33.45 75.33 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.844 -0.343 . . . . 0.0 110.306 179.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -61.76 -36.48 81.14 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.77 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.445 ' O ' ' OD1' ' A' ' 17' ' ' ASN . 60.0 ttt85 -59.98 -38.3 82.14 Favored 'General case' 0 N--CA 1.463 0.209 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.382 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.6 mt -64.15 -36.01 82.66 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.521 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -62.99 -37.93 89.11 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -179.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.445 ' OD1' ' O ' ' A' ' 14' ' ' ARG . 55.0 p30 -98.84 14.32 29.32 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.64 0.257 . . . . 0.0 111.395 -179.174 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.52 -37.87 85.28 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.417 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 90.7 mtm180 -68.14 146.1 53.75 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.783 0.325 . . . . 0.0 110.342 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -134.24 148.2 50.8 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.022 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -64.52 -36.03 82.9 Favored 'General case' 0 C--N 1.345 0.397 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.634 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -64.29 -36.02 82.75 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.528 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.22 -23.65 67.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.16 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -64.0 -36.79 85.14 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.583 -179.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.7 pp -64.91 -24.31 67.49 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.461 -179.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.68 -37.13 82.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.281 -0.418 . . . . 0.0 109.928 179.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -62.08 -38.17 87.81 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.738 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.8 tp -62.02 -39.46 92.35 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.508 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -63.5 -36.82 85.02 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.538 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 75.4 m -62.18 -36.82 83.05 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 121.026 -0.27 . . . . 0.0 110.829 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -61.88 -37.91 86.34 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.435 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.4 -22.12 66.69 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.655 0.264 . . . . 0.0 110.899 -179.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.48 -31.95 70.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.661 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 54.76 40.33 31.87 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.473 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 77.2 m80 55.12 36.77 27.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.227 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 53.9 35.46 21.84 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.306 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -62.37 -39.61 93.72 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 120.904 -0.319 . . . . 0.0 111.016 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -62.42 -36.78 83.45 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.984 -179.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.68 -35.96 81.36 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.798 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.77 -27.55 68.82 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.791 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -66.04 -27.11 67.85 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.566 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 46.3 mmm-85 -62.71 -36.24 82.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.364 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -67.1 -22.43 65.82 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.643 0.259 . . . . 0.0 111.034 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.04 -23.74 65.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.6 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.8 mt -65.99 -29.56 69.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.349 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 . . . . . 0 CA--C 1.531 0.222 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.561 -179.916 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.1 t . . . . . 0 N--CA 1.465 0.314 0 CA-C-O 121.008 0.432 . . . . 0.0 110.356 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.69 -38.39 90.21 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.598 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.74 -36.89 84.48 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.615 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.62 ' N ' HD22 ' A' ' 6' ' ' LEU . 3.2 mm? -63.69 -36.72 84.77 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.6 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.536 HG22 ' H ' ' A' ' 9' ' ' ASP . 24.0 m -61.74 137.91 58.28 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.13 5.03 4.75 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 -179.172 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.536 ' H ' HG22 ' A' ' 7' ' ' THR . 54.0 p-10 -82.21 3.53 26.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.657 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.32 -27.1 68.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.471 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.32 -36.46 82.24 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.481 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.3 mt -64.56 -35.13 79.99 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.317 179.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -65.86 -29.91 70.44 Favored 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 120.99 -0.284 . . . . 0.0 110.573 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -61.98 -36.79 82.52 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.743 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.3 mt -62.97 -36.67 84.25 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.43 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -63.08 -36.29 83.08 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 121.18 -0.208 . . . . 0.0 110.721 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -99.31 16.03 24.32 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 111.577 0.214 . . . . 0.0 111.577 -178.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -59.52 -18.73 42.75 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.449 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -62.12 -22.18 65.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.47 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -61.21 -38.96 88.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.574 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.81 -37.91 86.16 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.459 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.93 -37.98 86.74 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.495 179.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.59 -26.81 68.79 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.514 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.17 -37.99 87.37 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.428 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.623 ' N ' HD12 ' A' ' 25' ' ' LEU . 7.9 mp -62.17 -36.71 82.7 Favored 'General case' 0 C--O 1.232 0.145 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.484 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.16 -38.13 87.85 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.309 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.4 tpt180 -60.8 -38.78 86.52 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.397 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.1 mt -63.78 -36.16 82.97 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.211 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.28 -38.31 86.29 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.417 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 74.3 m -61.55 -37.43 83.75 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.672 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -62.48 -37.79 87.36 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.046 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.45 -22.56 66.3 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.717 -179.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.36 -27.77 68.75 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.049 -179.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.425 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 67.1 t0 -60.93 -38.07 84.51 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.586 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -70.37 -29.72 66.46 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.631 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -62.25 -33.68 75.08 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.442 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -59.89 -39.08 84.15 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.441 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.89 -36.96 85.06 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.461 179.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -67.47 -27.9 67.41 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.69 0.281 . . . . 0.0 110.671 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -82.91 -17.88 42.13 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.983 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.24 -40.32 97.1 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 120.774 -0.37 . . . . 0.0 111.563 -179.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.8 ptm180 -71.38 -26.65 62.88 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.961 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -70.76 -21.22 62.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.032 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.46 -26.1 66.52 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.426 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.9 tp -62.47 -39.02 92.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.423 179.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 . . . . . 0 CA--C 1.53 0.19 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.288 179.94 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 54.1 t . . . . . 0 CA--C 1.532 0.251 0 N-CA-C 110.488 -0.189 . . . . 0.0 110.488 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 53.5 33.12 15.43 Favored 'General case' 0 N--CA 1.463 0.195 0 C-N-CA 120.876 -0.329 . . . . 0.0 110.483 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 68.4 mttm 54.31 37.86 28.29 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.699 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.425 ' C ' ' H ' ' A' ' 8' ' ' ALA . 71.6 mt 59.0 28.69 18.03 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.691 0.281 . . . . 0.0 110.275 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 6' ' ' LEU . 5.9 p 59.35 5.01 0.54 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.522 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.425 ' H ' ' C ' ' A' ' 6' ' ' LEU . . . -63.26 -24.2 67.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.367 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 56.9 p30 -88.26 7.98 29.54 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.459 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.81 -34.53 74.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.633 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -62.21 -34.64 76.85 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 120.924 -0.311 . . . . 0.0 110.714 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.6 mt -63.13 -35.53 80.58 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 120.946 -0.302 . . . . 0.0 110.627 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -61.06 -36.88 80.78 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.826 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.426 ' O ' ' OD1' ' A' ' 17' ' ' ASN . 83.8 mtt85 -62.55 -35.96 81.1 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.773 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.1 mt -68.82 -21.85 64.28 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.562 0.22 . . . . 0.0 111.103 -179.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -63.4 -24.8 68.0 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 121.073 -0.251 . . . . 0.0 110.842 -179.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.426 ' OD1' ' O ' ' A' ' 14' ' ' ARG . 55.2 p30 -84.86 -3.4 58.65 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 111.849 0.315 . . . . 0.0 111.849 -179.172 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 42.46 29.68 0.17 Allowed 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.992 0.425 . . . . 0.0 110.394 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.543 ' O ' ' CG ' ' A' ' 20' ' ' HIS . 91.3 mtm180 53.92 41.34 32.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.46 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.543 ' CG ' ' O ' ' A' ' 19' ' ' ARG . 32.3 p80 41.83 19.13 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.73 179.558 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 19' ' ' ARG . 95.7 mt-10 -65.06 -38.82 92.06 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 120.488 -0.485 . . . . 0.0 111.335 179.563 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.54 -38.2 89.07 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.51 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.22 -37.43 82.99 Favored 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.629 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -64.39 -36.51 84.39 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.357 179.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.4 tp -62.79 -38.79 92.03 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 121.04 -0.264 . . . . 0.0 110.444 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.74 -38.44 87.95 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.642 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 59.0 ttp180 -61.73 -38.12 86.74 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 120.656 -0.418 . . . . 0.0 110.482 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.7 mt -64.38 -35.7 81.74 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.513 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -60.85 -38.14 84.5 Favored 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 120.919 -0.312 . . . . 0.0 110.79 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 91.8 p -61.21 -31.95 71.72 Favored 'General case' 0 C--N 1.334 -0.072 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.646 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.79 -37.35 86.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.374 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.96 -22.1 65.35 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.739 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.14 -25.49 67.77 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.452 -179.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.517 ' OD1' ' CD2' ' A' ' 35' ' ' HIS . 57.6 p30 -65.54 -14.66 61.54 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.93 -179.486 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.517 ' CD2' ' OD1' ' A' ' 34' ' ' ASP . 99.1 m-70 -99.42 5.4 46.32 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.995 0.426 . . . . 0.0 110.06 179.158 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -62.69 -35.51 79.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.196 179.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -61.49 -36.44 80.46 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.504 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -62.26 -36.56 82.42 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.615 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.36 -37.38 85.47 Favored 'General case' 0 N--CA 1.463 0.195 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.536 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.54 -35.86 77.03 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.585 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -65.01 -17.21 64.25 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.86 0.362 . . . . 0.0 110.79 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 73.3 ttp85 -58.5 -34.27 70.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.071 -179.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -57.66 -19.46 26.87 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.712 0.292 . . . . 0.0 110.836 -179.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.26 -22.41 63.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.552 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.47 -27.36 67.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.279 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 . . . . . 0 C--N 1.331 -0.223 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.59 -179.922 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 55.8 t . . . . . 0 CA--C 1.533 0.309 0 CA-C-O 120.232 0.063 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.436 ' O ' ' O ' ' A' ' 7' ' ' THR . 24.7 pt-20 -72.9 -18.61 61.39 Favored 'General case' 0 C--N 1.334 -0.071 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.873 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -61.91 -38.52 88.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.523 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.2 tp -63.1 -38.94 93.19 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.9 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.436 ' O ' ' O ' ' A' ' 4' ' ' GLU . 99.5 m -107.92 125.89 52.03 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 120.88 0.371 . . . . 0.0 111.024 -179.491 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -82.4 -18.94 40.2 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.039 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -64.5 -25.57 68.05 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.513 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.29 -28.66 69.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.435 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -62.85 -36.13 82.23 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.704 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.5 mt -64.5 -34.78 79.01 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.28 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -63.5 -35.71 81.37 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.815 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -59.96 -37.1 78.6 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.811 -0.355 . . . . 0.0 110.381 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.7 mt -62.01 -36.56 81.91 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.404 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -65.96 -24.26 66.77 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.798 0.332 . . . . 0.0 110.306 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.516 ' ND2' ' OE2' ' A' ' 21' ' ' GLU . 62.3 t30 57.65 39.05 27.8 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.682 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.7 -37.67 87.38 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.329 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 85.1 mtp180 -71.68 154.75 41.15 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.843 0.354 . . . . 0.0 111.042 -179.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 72.3 m80 60.32 29.86 19.35 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.288 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.516 ' OE2' ' ND2' ' A' ' 17' ' ' ASN . 80.8 mm-40 -103.67 -24.19 13.39 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.648 0.261 . . . . 0.0 110.952 179.458 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.98 -37.92 89.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.632 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.7 -37.09 80.48 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.576 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -63.76 -36.46 83.95 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.409 179.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.0 mt -82.5 -16.19 49.65 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.796 0.332 . . . . 0.0 110.405 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.68 -38.34 87.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.702 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 78.9 ttt-85 -61.28 -38.31 86.3 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.261 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 87.6 mt -65.53 -35.13 79.96 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.5 179.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -84.42 -14.96 47.89 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.712 0.291 . . . . 0.0 110.599 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 75.7 m -61.68 -36.38 80.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.519 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -61.95 -36.65 82.04 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.343 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.27 -20.99 63.5 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.996 -179.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.84 -33.33 71.64 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.467 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.428 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 66.8 t0 -61.29 -35.22 76.74 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 121.052 -0.259 . . . . 0.0 110.678 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -87.49 -1.35 57.87 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.666 0.269 . . . . 0.0 110.794 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.434 ' O ' ' OD1' ' A' ' 36' ' ' ASP . 67.9 t0 -61.48 -36.84 81.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.536 179.652 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -61.96 -35.85 79.67 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 121.01 -0.276 . . . . 0.0 110.772 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -60.63 -37.65 82.16 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.398 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -63.54 -21.38 66.31 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.785 0.326 . . . . 0.0 110.832 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.15 -19.47 53.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.895 -179.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -57.8 -15.92 9.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.882 0.372 . . . . 0.0 110.617 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -57.24 -29.95 64.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.098 -179.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -58.05 -19.53 32.35 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.922 -179.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.27 -22.51 63.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.59 -179.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.5 mt -65.94 -28.03 68.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.238 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 . . . . . 0 CA--C 1.53 0.174 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.582 -179.99 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.5 m . . . . . 0 N--CA 1.469 0.496 0 CA-C-O 120.76 0.314 . . . . 0.0 110.74 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -62.6 -38.54 90.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.142 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -62.95 -36.69 84.3 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.641 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.549 ' O ' ' N ' ' A' ' 8' ' ' ALA . 59.9 tp -63.12 -39.37 94.49 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.811 -179.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.493 ' OG1' ' N ' ' A' ' 8' ' ' ALA . 36.4 p 54.67 -79.0 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 120.646 0.26 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.549 ' N ' ' O ' ' A' ' 6' ' ' LEU . . . 54.71 31.99 16.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.65 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 56.9 p30 -86.53 3.03 45.91 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.636 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.9 -37.49 84.8 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.094 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -65.4 -25.83 67.72 Favored 'General case' 0 C--O 1.231 0.13 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.184 -179.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.3 mt -65.19 -36.65 84.87 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.554 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -63.15 -36.66 84.35 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.911 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 63.3 ttm-85 -61.04 -37.74 83.67 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.814 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.6 tp -61.62 -39.32 90.85 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.559 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -71.65 -21.16 61.86 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-O 120.803 0.335 . . . . 0.0 110.298 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -61.69 -35.7 78.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.71 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.03 -35.76 79.53 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 120.966 -0.293 . . . . 0.0 110.665 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.52 ' NH1' ' OE1' ' A' ' 21' ' ' GLU . 60.6 ttt85 -86.77 108.02 18.52 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.84 0.352 . . . . 0.0 110.394 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 56.1 p-80 -82.71 -13.56 56.16 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.538 179.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.52 ' OE1' ' NH1' ' A' ' 19' ' ' ARG . 97.5 mt-10 -65.72 -35.14 79.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.756 179.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.4 -37.42 83.39 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.436 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.58 -36.62 78.95 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 120.699 -0.401 . . . . 0.0 110.495 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -63.34 -36.26 83.11 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.424 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.7 tp -61.3 -37.23 82.46 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 120.992 -0.283 . . . . 0.0 110.443 179.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -59.55 -35.48 74.3 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 121.075 -0.25 . . . . 0.0 110.588 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.8 tpp85 -59.15 -38.75 80.44 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.207 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.633 ' N ' HD12 ' A' ' 28' ' ' LEU . 8.2 mp -63.02 -36.37 83.34 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.615 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -60.69 -38.39 84.82 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.315 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 75.7 m -61.89 -36.97 82.86 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.826 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -61.54 -37.72 84.8 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.174 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.32 -22.73 66.29 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.926 -179.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.73 -29.28 69.27 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.797 -179.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.16 -36.22 79.21 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.454 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -60.95 -39.24 88.75 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.732 179.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.417 ' O ' ' OD1' ' A' ' 36' ' ' ASP . 67.9 t0 -61.14 -36.94 81.11 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.59 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -62.08 -36.42 81.6 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.583 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -64.6 -28.14 69.42 Favored 'General case' 0 N--CA 1.461 0.119 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.533 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.36 -38.01 87.91 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.381 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.44 -26.51 68.55 Favored 'General case' 0 N--CA 1.462 0.173 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.58 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.12 -38.09 87.63 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.406 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -62.81 -36.48 83.31 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.693 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 29.8 mmtp -69.01 -21.65 64.12 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.743 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.23 -23.76 65.86 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.389 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.2 tp -62.29 -38.95 91.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.441 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 CA--C 1.53 0.187 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.493 -179.953 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.7 m . . . . . 0 N--CA 1.468 0.446 0 CA-C-O 120.755 0.312 . . . . 0.0 110.629 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.73 -38.46 90.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.527 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -70.49 -22.97 62.6 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.616 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 85.0 mt -94.56 -3.59 49.46 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.556 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 98.7 m -63.09 -43.12 99.38 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.705 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.39 26.45 1.95 Allowed 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.971 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 53.2 p-10 -80.36 1.17 29.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.755 0.312 . . . . 0.0 110.563 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.34 -26.67 68.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.504 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.77 -36.1 81.98 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.544 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 91.7 mt -68.83 -25.22 64.56 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-O 120.737 0.303 . . . . 0.0 110.377 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -61.26 -36.89 81.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.634 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 92.0 mtm180 -62.53 -36.18 81.76 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.666 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.2 tp -61.91 -39.05 90.68 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.391 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -62.41 -36.97 84.01 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.658 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.46 -36.91 83.93 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.666 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.95 -36.41 83.36 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.671 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 76.7 mtp85 -69.9 144.76 52.36 Favored 'General case' 0 C--O 1.231 0.126 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.491 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 61.9 m170 56.29 32.35 20.25 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.626 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -64.94 -40.4 94.97 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 120.741 -0.384 . . . . 0.0 111.407 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.4 pm0 -65.26 -19.21 65.86 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-O 120.719 0.295 . . . . 0.0 111.069 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.55 -27.77 68.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.541 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.1 -38.77 90.15 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.332 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 87.1 mt -65.25 -35.82 82.21 Favored 'General case' 0 CA--C 1.528 0.114 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.338 179.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.38 -37.81 87.16 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.574 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 44.2 mmm-85 -62.72 -37.22 85.66 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 120.724 -0.391 . . . . 0.0 110.608 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.0 mt -64.33 -38.0 89.49 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.593 179.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -64.86 -36.71 85.24 Favored 'General case' 0 C--O 1.233 0.191 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.778 179.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 97.0 p -63.44 -23.3 67.34 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.74 0.305 . . . . 0.0 110.678 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -62.96 -37.88 88.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.165 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.1 -22.27 66.75 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.051 -179.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.444 ' O ' ' OD1' ' A' ' 36' ' ' ASP . . . -60.17 -35.85 76.27 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.566 -0.454 . . . . 0.0 110.413 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.427 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 59.7 t0 -70.82 -29.48 65.65 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.647 179.66 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -93.92 1.54 56.31 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.53 -179.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.444 ' OD1' ' O ' ' A' ' 33' ' ' ALA . 51.0 p30 -81.22 -1.82 46.32 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.516 -0.473 . . . . 0.0 110.286 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -62.49 -29.21 70.38 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -61.57 -38.13 86.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.266 179.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.22 -35.76 79.88 Favored 'General case' 0 C--N 1.333 -0.132 0 C-N-CA 120.931 -0.308 . . . . 0.0 110.625 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.47 -26.63 68.02 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.407 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.46 -37.79 87.3 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.32 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -61.32 -38.61 87.47 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.551 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -70.41 -22.91 62.68 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.625 0.25 . . . . 0.0 111.003 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.07 -27.7 68.54 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.673 -179.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.638 ' N ' HD12 ' A' ' 45' ' ' LEU . 7.7 mp -62.76 -36.75 84.07 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.539 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 CA--C 1.53 0.189 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.685 179.953 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 54.3 t . . . . . 0 CA--C 1.534 0.328 0 CA-C-O 120.277 0.084 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.79 -39.29 93.79 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.722 -178.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.515 ' C ' ' H ' ' A' ' 7' ' ' THR . 16.8 ptpt -84.08 -34.81 24.11 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.702 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.1 tp 51.27 5.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.054 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.515 ' H ' ' C ' ' A' ' 5' ' ' LYS . 81.9 p -134.82 159.29 41.85 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.842 0.353 . . . . 0.0 110.722 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -91.29 -0.68 57.71 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.456 179.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -62.09 -29.64 70.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.923 -179.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.62 -36.6 79.01 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.641 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.76 -36.57 83.5 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.524 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.8 mt -67.9 -28.51 67.57 Favored 'General case' 0 N--CA 1.463 0.195 0 C-N-CA 120.951 -0.3 . . . . 0.0 110.477 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -61.54 -36.84 81.71 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.592 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -60.98 -38.07 84.67 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.741 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.642 ' N ' HD12 ' A' ' 15' ' ' LEU . 7.9 mp -62.28 -37.12 84.29 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.771 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.23 -37.17 84.35 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.478 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.85 -36.32 82.87 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.459 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -68.73 157.04 37.15 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.8 ptm180 -149.75 170.55 18.47 Favored 'General case' 0 C--N 1.344 0.352 0 CA-C-N 118.171 0.441 . . . . 0.0 110.648 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.52 ' CE1' ' CB ' ' A' ' 23' ' ' ALA . 37.6 t-80 71.88 15.51 5.72 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.172 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -70.17 -35.89 74.3 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.778 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.61 -28.43 69.89 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.915 0.388 . . . . 0.0 110.556 -179.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.52 ' CB ' ' CE1' ' A' ' 20' ' ' HIS . . . -61.24 -23.01 65.33 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.453 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -62.54 -37.09 84.75 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.557 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 86.7 mt -64.23 -36.1 82.98 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.118 179.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -66.4 -35.28 79.91 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.41 178.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 -65.66 -27.33 68.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.424 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 61.1 tp -61.25 -39.18 89.37 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.315 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -63.34 -36.8 84.9 Favored 'General case' 0 N--CA 1.462 0.133 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.554 179.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 75.2 m -61.84 -36.36 80.97 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.989 -0.284 . . . . 0.0 110.671 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -61.38 -36.94 81.63 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.483 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.69 -21.47 64.48 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.959 -179.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.407 ' O ' ' CG ' ' A' ' 36' ' ' ASP . . . -59.89 -33.86 72.4 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.539 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.437 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 58.0 t0 -62.57 -23.75 67.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.806 0.336 . . . . 0.0 110.385 179.709 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 63.1 m170 -84.98 1.15 48.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.385 -179.098 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.407 ' CG ' ' O ' ' A' ' 33' ' ' ALA . 48.9 p-10 -79.45 -0.55 33.52 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 120.506 -0.477 . . . . 0.0 110.261 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -62.44 -28.42 69.79 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.936 -179.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.32 -35.93 80.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.575 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.13 -35.38 78.58 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 120.932 -0.307 . . . . 0.0 110.672 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.5 -25.99 67.62 Favored 'General case' 0 N--CA 1.462 0.159 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.572 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -62.13 -38.03 87.4 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.14 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -61.3 -37.71 84.22 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.414 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt -66.56 -23.01 66.15 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 120.664 0.268 . . . . 0.0 111.124 -179.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.22 -23.19 65.44 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.6 -179.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.4 mt -62.98 -36.43 83.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.454 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 . . . . . 0 CA--C 1.53 0.206 0 C-N-CA 120.751 -0.379 . . . . 0.0 110.407 179.85 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.284 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.0 m 55.54 29.4 13.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.666 0.269 . . . . 0.0 110.691 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 53.3 t -65.01 -40.99 90.91 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.694 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -67.26 -28.2 67.83 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 120.852 -0.339 . . . . 0.0 111.026 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -70.41 -24.89 63.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.721 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 84.9 mt -94.56 -3.94 48.83 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.522 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.2 p 57.47 15.58 2.81 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.542 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.44 -23.26 67.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.646 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 55.4 p30 -84.21 3.69 34.06 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.88 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.14 -37.68 83.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.643 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -64.29 -35.51 81.08 Favored 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 120.916 -0.314 . . . . 0.0 110.526 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.7 mt -63.97 -35.23 80.0 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.737 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -62.8 -37.35 86.37 Favored 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.822 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -61.57 -38.4 87.38 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.442 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.7 mt -63.64 -35.44 80.52 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 121.065 -0.254 . . . . 0.0 110.428 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.68 -36.48 80.98 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.649 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -61.83 -36.63 81.75 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.46 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -63.22 -35.7 81.19 Favored 'General case' 0 CA--C 1.528 0.106 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.627 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -65.7 144.13 57.1 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.875 0.369 . . . . 0.0 110.472 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.603 ' ND1' ' N ' ' A' ' 21' ' ' GLU . 62.9 t-80 -159.37 174.26 15.0 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.07 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.603 ' N ' ' ND1' ' A' ' 20' ' ' HIS . 97.4 mt-10 -62.75 -36.86 84.42 Favored 'General case' 0 C--N 1.34 0.159 0 C-N-CA 120.266 -0.574 . . . . 0.0 110.036 179.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.18 -37.66 88.09 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.14 179.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.24 -37.34 82.72 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 120.681 -0.407 . . . . 0.0 110.675 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -63.81 -37.0 85.75 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.595 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.3 mt -80.95 -16.88 52.28 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.744 0.307 . . . . 0.0 110.371 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.42 -38.28 89.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.568 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 59.2 ttt85 -61.67 -38.05 86.33 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.61 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.616 HD22 ' N ' ' A' ' 28' ' ' LEU . 3.2 mm? -63.51 -37.17 86.27 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.508 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -85.67 -15.45 42.32 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 121.016 -0.274 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.2 p -66.32 -20.81 66.19 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.579 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.419 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 88.5 tt0 -62.14 -39.2 91.77 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.432 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -81.5 -20.62 39.74 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.738 0.304 . . . . 0.0 110.819 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -91.44 -4.13 55.93 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.402 -179.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' A' ' 31' ' ' GLU . 55.1 p30 -80.93 1.08 32.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.021 -179.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -98.95 4.2 47.24 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.905 0.383 . . . . 0.0 110.278 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -62.37 -36.66 82.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.578 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.1 ttmm -61.64 -38.57 88.15 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.419 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.8 mmmt -62.38 -36.67 83.0 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.552 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -65.23 -29.37 70.16 Favored 'General case' 0 C--N 1.333 -0.131 0 C-N-CA 120.931 -0.308 . . . . 0.0 110.484 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.95 -24.77 68.04 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.362 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.17 -37.79 86.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.576 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 59.9 ttp180 -61.37 -38.08 85.71 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.638 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -67.61 -23.32 65.36 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.688 0.28 . . . . 0.0 111.154 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.61 -23.44 66.03 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.772 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.7 mt -66.11 -28.72 69.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.378 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.27 -36.33 81.72 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.608 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.52 -36.71 81.31 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.606 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.2 tttm 48.86 32.67 3.87 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.81 0.338 . . . . 0.0 110.271 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 71.6 mt 55.93 29.27 13.93 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.424 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.75 -30.13 70.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.585 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.424 ' O ' ' O ' ' A' ' 52' ' ' TYR . 55.5 p30 -83.65 2.29 38.25 Favored 'General case' 0 C--N 1.334 -0.071 0 CA-C-O 120.723 0.297 . . . . 0.0 110.779 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.424 ' O ' ' O ' ' A' ' 51' ' ' ASP . 89.5 t80 . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.48 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.266 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.9 m 55.07 35.48 24.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.604 0.24 . . . . 0.0 110.579 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.534 ' C ' ' H ' ' A' ' 5' ' ' LYS . 9.8 p -57.0 -37.96 57.5 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.533 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 76.8 tt0 60.46 -5.7 0.1 Allowed 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.081 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.534 ' H ' ' C ' ' A' ' 3' ' ' VAL . 73.1 mmtt 56.33 36.41 27.46 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.1 tp -62.93 -39.09 93.51 Favored 'General case' 0 N--CA 1.463 0.195 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.447 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.5 m 51.42 55.38 9.52 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.821 0.343 . . . . 0.0 110.543 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.07 -26.23 68.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.427 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.426 ' OD1' ' O ' ' A' ' 9' ' ' ASP . 67.3 t0 -61.74 -36.66 81.64 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.674 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.59 -37.01 79.94 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 120.821 -0.351 . . . . 0.0 110.641 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.22 -38.5 89.42 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.402 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.4 mt -64.93 -34.98 79.71 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.503 179.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -66.01 -28.31 68.78 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.679 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -62.06 -36.55 81.97 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.712 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.629 HD22 ' N ' ' A' ' 15' ' ' LEU . 3.2 mm? -63.19 -36.12 82.57 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.23 179.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -65.79 -22.04 66.54 Favored 'General case' 0 C--N 1.333 -0.131 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 54.65 40.07 31.65 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.793 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.519 ' OE1' ' NE2' ' A' ' 20' ' ' HIS . 98.0 mt-10 -62.3 -36.45 82.15 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.622 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 55.37 51.67 12.6 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.046 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.519 ' NE2' ' OE1' ' A' ' 18' ' ' GLU . 92.2 m-70 -66.46 -26.1 67.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.393 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -62.86 -36.88 84.73 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.818 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.426 ' O ' ' OE1' ' A' ' 26' ' ' GLU . 98.6 mt-10 -63.55 -36.85 85.16 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.001 179.521 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.38 -36.06 79.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.655 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -64.77 -28.66 69.73 Favored 'General case' 0 N--CA 1.462 0.166 0 C-N-CA 121.117 -0.233 . . . . 0.0 111.135 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.1 tp -60.68 -39.76 89.64 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.505 -179.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.426 ' OE1' ' O ' ' A' ' 22' ' ' GLU . 60.0 mp0 -64.03 -35.35 80.45 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.274 179.503 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -63.52 -35.71 81.38 Favored 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.797 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.2 tp -60.9 -39.61 89.97 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.634 -0.427 . . . . 0.0 110.464 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.0 mtmm -63.15 -36.31 83.19 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.28 179.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 74.5 m -61.71 -36.53 81.19 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.663 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -61.55 -37.61 84.43 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.119 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.19 -21.06 64.8 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.72 0.295 . . . . 0.0 110.761 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.11 -32.55 71.1 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.57 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -61.0 -36.95 80.82 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.472 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 74.5 m80 -65.57 -34.77 79.02 Favored 'General case' 0 C--N 1.333 -0.113 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.299 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -63.14 -26.06 68.64 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.712 0.291 . . . . 0.0 110.524 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -60.57 -38.47 84.68 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.505 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -62.5 -36.17 81.68 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.254 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -62.46 -27.89 69.43 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.771 0.319 . . . . 0.0 110.672 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.98 -18.28 32.56 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.118 -179.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -58.08 -20.23 38.09 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.206 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -62.95 -35.81 81.37 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.59 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -65.79 -22.18 66.55 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.744 0.307 . . . . 0.0 110.969 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.73 -23.62 65.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.63 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.5 tp -62.0 -38.95 90.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.332 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.5 -36.12 81.54 Favored 'General case' 0 C--O 1.233 0.193 0 C-N-CA 120.952 -0.299 . . . . 0.0 110.625 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.2 -36.9 81.16 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.601 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -61.09 -39.15 88.84 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.25 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 93.1 mt -63.63 -35.85 81.89 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 120.806 -0.357 . . . . 0.0 110.404 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 62.37 29.65 17.27 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.735 0.303 . . . . 0.0 110.532 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 56.5 p30 -88.09 4.47 45.23 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.487 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.412 ' CD2' ' OXT' ' A' ' 52' ' ' TYR . 92.4 t80 . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.532 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.3 0 N-CA-C 109.598 -1.401 . . . . 0.0 109.598 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.5 m 55.24 34.45 22.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.652 0.263 . . . . 0.0 110.576 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 53.4 t -63.56 -40.19 88.12 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.389 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.83 -36.65 83.89 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.711 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -68.59 -23.41 64.47 Favored 'General case' 0 C--O 1.232 0.165 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.9 tp 44.23 28.07 0.26 Allowed 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.411 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.481 ' CG2' ' OD1' ' A' ' 9' ' ' ASP . 95.9 m -115.35 126.79 54.86 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.416 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -112.86 -3.15 14.19 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.183 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.481 ' OD1' ' CG2' ' A' ' 7' ' ' THR . 55.0 p30 -86.09 4.14 39.45 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.809 0.338 . . . . 0.0 110.808 -179.578 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.39 -25.54 67.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.594 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -63.57 -36.4 83.66 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.672 -179.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.1 mt -63.39 -38.21 90.25 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.626 -178.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.435 ' OE1' ' O ' ' A' ' 9' ' ' ASP . 25.4 mp0 -64.02 -37.25 86.74 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.42 -179.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.462 ' NH2' ' CD ' ' A' ' 26' ' ' GLU . 78.0 mtm180 -62.56 -36.47 82.77 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 120.449 -0.5 . . . . 0.0 110.625 -179.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.6 tp -62.01 -38.84 90.16 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 120.726 -0.389 . . . . 0.0 110.392 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -64.98 -26.14 68.16 Favored 'General case' 0 C--O 1.231 0.117 0 C-N-CA 120.834 -0.347 . . . . 0.0 110.611 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 54.43 39.58 31.13 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.41 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.98 -38.3 88.05 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.765 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 90.6 mtm180 -121.71 129.69 52.91 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.867 0.365 . . . . 0.0 110.624 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -69.58 -35.61 75.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.21 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 23.4 pm0 -67.05 -20.54 65.85 Favored 'General case' 0 C--O 1.232 0.136 0 C-N-CA 120.936 -0.305 . . . . 0.0 111.603 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.83 -38.34 87.8 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.445 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.47 -36.49 80.58 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.6 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -63.38 -36.0 82.25 Favored 'General case' 0 N--CA 1.462 0.167 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.811 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 90.2 mt -68.02 -25.13 65.23 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 120.971 -0.292 . . . . 0.0 110.629 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.462 ' CD ' ' NH2' ' A' ' 14' ' ' ARG . 88.5 tt0 -60.81 -37.85 83.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.775 -179.504 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 91.5 mtm180 -63.22 -36.77 84.76 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.697 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.622 HD22 ' N ' ' A' ' 28' ' ' LEU . 3.2 mm? -63.19 -36.62 84.25 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.544 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.19 -38.77 87.73 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.661 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 94.4 p -62.23 -30.22 70.94 Favored 'General case' 0 C--N 1.334 -0.068 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.633 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -62.84 -39.49 94.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.807 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.63 -36.67 81.41 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.059 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -95.32 22.33 6.99 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 111.604 0.224 . . . . 0.0 111.604 -179.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 53.6 p-10 -81.68 2.66 28.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.784 0.326 . . . . 0.0 110.467 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -98.09 6.29 47.73 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.98 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 56.0 p30 -85.88 3.13 43.14 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.342 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.11 -36.51 81.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.72 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -61.14 -38.26 85.79 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.353 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.43 -35.63 79.85 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.526 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.72 -26.69 68.21 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.481 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -62.13 -38.02 87.35 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 -62.17 -36.59 82.34 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.301 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -62.83 -36.82 84.45 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.621 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.39 -21.61 60.16 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.2 -178.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.4 mt -65.28 -29.7 70.49 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.27 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -62.13 -37.86 86.75 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.235 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.08 -36.8 80.6 Favored 'General case' 0 C--N 1.333 -0.136 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.654 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -62.3 -37.12 84.32 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.489 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.8 mt -63.61 -35.78 81.65 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 121.041 -0.264 . . . . 0.0 110.401 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 63.36 28.81 15.68 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 120.953 -0.299 . . . . 0.0 110.604 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.422 ' O ' ' O ' ' A' ' 52' ' ' TYR . 98.1 m-20 -62.06 -36.82 82.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.639 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.514 ' CG ' ' OXT' ' A' ' 52' ' ' TYR . 92.5 t80 . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.486 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.336 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.0 t -154.34 -170.38 3.52 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.4 m -134.19 4.1 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-O 120.812 0.339 . . . . 0.0 110.49 179.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -65.84 -28.97 69.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.618 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.19 -37.12 84.06 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.699 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.631 ' N ' HD12 ' A' ' 6' ' ' LEU . 7.9 mp -63.11 -36.94 85.26 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.754 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 73.2 p -84.89 -9.06 58.49 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.745 0.307 . . . . 0.0 110.724 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.94 -25.75 68.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.426 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -62.95 -29.36 70.74 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.534 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.61 -27.63 68.79 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.487 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.37 -36.65 82.92 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.671 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.7 mt -67.89 -28.66 67.7 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 120.924 -0.311 . . . . 0.0 110.349 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.1 tp-100 -61.79 -36.34 80.8 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.456 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 42.6 ttm105 -60.74 -37.8 82.99 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.529 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.611 HD22 ' N ' ' A' ' 15' ' ' LEU . 3.3 mm? -62.63 -36.87 84.17 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 120.594 -0.443 . . . . 0.0 110.306 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -61.86 -38.95 90.18 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.431 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -79.37 -12.68 59.91 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.821 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.37 -36.84 85.04 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.411 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 56.23 38.05 29.43 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.93 0.395 . . . . 0.0 110.325 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -61.9 -38.61 89.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.832 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -62.17 -37.65 86.06 Favored 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.856 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.03 -36.01 83.01 Favored 'General case' 0 N--CA 1.462 0.145 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.145 179.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.63 -26.16 67.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.498 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -62.11 -37.16 84.05 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.628 ' N ' HD22 ' A' ' 25' ' ' LEU . 3.2 mm? -61.98 -36.99 83.12 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.254 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.58 -36.34 83.48 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.009 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -68.4 -18.3 64.42 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -179.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 91.6 mt -63.98 -28.9 70.13 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 120.889 -0.324 . . . . 0.0 111.678 -179.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 63.2 pttt -55.23 -29.93 58.99 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 120.393 -0.523 . . . . 0.0 110.706 -178.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 73.7 m -61.67 -37.41 83.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.52 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -62.83 -37.02 85.16 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.127 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.57 -20.46 63.32 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.888 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.8 -33.96 72.42 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.382 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.79 -36.42 81.05 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.847 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -88.4 -8.48 54.95 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.687 0.279 . . . . 0.0 110.853 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -74.44 -13.16 60.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.442 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.2 pttm -60.52 -26.82 67.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -62.3 -36.89 83.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.403 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.5 -33.8 76.38 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 121.095 -0.242 . . . . 0.0 110.677 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.55 -25.66 66.33 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 120.954 -0.298 . . . . 0.0 110.966 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.03 -36.37 81.35 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.492 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -61.68 -37.92 85.87 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.512 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -66.62 -22.89 66.12 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.033 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.25 -23.36 65.59 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.679 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.6 tp -61.8 -39.23 91.02 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.486 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.8 -36.38 82.94 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.545 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.59 -36.83 81.8 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 120.959 -0.296 . . . . 0.0 110.758 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.9 mttp 54.12 38.6 29.43 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.357 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 73.3 mt 56.33 31.11 18.02 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.768 0.318 . . . . 0.0 110.351 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.42 -36.64 80.91 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.109 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.428 ' O ' ' OD1' ' A' ' 51' ' ' ASP . 67.8 t0 -60.77 -38.16 84.34 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.088 -179.398 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 . . . . . 0 C--O 1.219 -0.5 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.552 179.914 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.271 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.7 t -61.42 -39.44 90.77 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 122.866 -0.196 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 53.7 t -62.79 -38.94 83.08 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-O 120.662 0.268 . . . . 0.0 110.302 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -59.97 -35.32 74.73 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.845 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -60.75 -37.57 82.25 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 120.952 -0.299 . . . . 0.0 111.296 -179.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.579 ' N ' HD12 ' A' ' 6' ' ' LEU . 8.6 mp -62.94 -37.11 85.72 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.72 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 76.6 p -81.87 -11.39 58.95 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.803 0.335 . . . . 0.0 110.645 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 53.03 26.97 5.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.526 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -62.56 -35.28 78.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.555 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.93 -28.55 69.02 Favored 'General case' 0 C--O 1.232 0.178 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.662 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -68.03 -27.94 66.96 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.367 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.7 mt -63.18 -38.38 90.93 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.038 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -65.0 -36.53 84.7 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.809 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 77.4 mtp85 -62.29 -36.75 83.07 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.524 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.6 mt -63.29 -36.28 83.15 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.275 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -65.61 -24.57 67.09 Favored 'General case' 0 C--N 1.334 -0.084 0 CA-C-O 120.783 0.325 . . . . 0.0 110.564 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 32.6 m120 55.57 38.7 30.54 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.417 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.19 -37.91 87.11 Favored 'General case' 0 N--CA 1.463 0.187 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.488 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 66.45 96.53 0.05 Allowed 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.3 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -88.98 -3.97 58.57 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.422 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -64.65 -36.91 85.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.505 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -65.88 -34.89 79.18 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.868 0.366 . . . . 0.0 110.242 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.12 -26.87 67.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.706 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -62.95 -36.55 83.83 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.421 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.3 tp -62.2 -38.9 90.9 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.91 -37.98 86.65 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.259 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 72.0 ttp85 -61.48 -37.67 84.49 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.15 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.3 tp -62.05 -38.68 89.67 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.262 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -61.38 -38.94 88.84 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.623 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 95.6 p -62.95 -30.33 71.49 Favored 'General case' 0 C--O 1.231 0.092 0 C-N-CA 120.801 -0.359 . . . . 0.0 110.529 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -62.66 -39.63 94.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.756 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.78 -36.9 82.42 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.894 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -96.37 23.04 7.09 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 120.632 0.254 . . . . 0.0 111.223 -179.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.503 ' OD1' ' CE1' ' A' ' 35' ' ' HIS . 66.1 t0 -68.92 129.43 39.91 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.835 0.35 . . . . 0.0 110.528 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.503 ' CE1' ' OD1' ' A' ' 34' ' ' ASP . 25.0 m80 65.41 4.12 2.59 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.189 -179.418 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -89.92 -10.86 43.57 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.039 0.447 . . . . 0.0 109.883 179.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -62.46 -36.52 82.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.493 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -62.21 -36.48 82.06 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.501 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.96 -38.08 87.16 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.392 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.93 -37.18 81.41 Favored 'General case' 0 N--CA 1.462 0.175 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.317 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -63.55 -35.71 81.39 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.47 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -62.52 -36.91 84.07 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.558 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.476 ' NZ ' ' OE1' ' A' ' 46' ' ' GLU . 58.8 tptt -62.28 -37.27 84.88 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.433 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.12 -20.01 49.71 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.775 0.321 . . . . 0.0 111.043 -178.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.3 tp -61.17 -39.01 88.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.432 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.476 ' OE1' ' NZ ' ' A' ' 43' ' ' LYS . 98.9 mt-10 -62.81 -35.94 81.55 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.413 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -64.65 -24.23 67.52 Favored 'General case' 0 N--CA 1.461 0.114 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.491 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt 56.57 42.46 27.14 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.914 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 97.0 mt -62.25 -36.42 81.96 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.501 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 59.79 30.31 19.88 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 120.774 -0.371 . . . . 0.0 110.498 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 53.2 t0 53.3 39.87 30.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.526 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 91.8 t80 . . . . . 0 C--O 1.221 -0.413 0 CA-C-O 117.947 -1.025 . . . . 0.0 110.441 179.958 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.265 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.7 m 55.19 34.75 23.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.696 0.284 . . . . 0.0 110.544 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 53.3 t -63.81 -39.8 86.73 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.575 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -62.24 -38.88 90.93 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.409 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -66.34 -28.76 68.92 Favored 'General case' 0 C--N 1.333 -0.125 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.638 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.4 tp -62.43 -39.1 92.22 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.708 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 75.7 p -82.57 -12.18 57.91 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.797 0.332 . . . . 0.0 110.614 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 46.67 28.11 0.75 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.48 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -64.14 -27.06 68.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.536 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.44 -28.31 69.18 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.647 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.39 -36.68 83.07 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.694 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.1 mt -63.96 -36.27 83.42 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.362 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.519 ' NE2' ' OE2' ' A' ' 22' ' ' GLU . 53.5 tt0 -62.32 -36.44 82.17 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.47 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.08 -34.92 77.19 Favored 'General case' 0 C--N 1.333 -0.143 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.569 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.4 tp -59.9 -38.14 81.43 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -60.6 -36.07 77.67 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 62.5 t30 60.3 40.2 18.01 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 178.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -141.78 154.5 45.28 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 96.2 mtt-85 58.06 57.05 4.25 Favored 'General case' 0 C--N 1.349 0.584 0 CA-C-N 118.435 0.561 . . . . 0.0 111.538 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -88.37 -1.71 58.19 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.529 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.7 -38.3 89.86 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.453 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.519 ' OE2' ' NE2' ' A' ' 13' ' ' GLN . 23.4 pt-20 -61.88 -19.95 63.2 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.673 -179.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.2 -37.37 82.75 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.713 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.02 -37.33 87.02 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.357 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.635 ' N ' HD12 ' A' ' 25' ' ' LEU . 7.6 mp -64.14 -36.15 83.09 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 121.032 -0.267 . . . . 0.0 110.389 179.584 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.08 -38.16 87.76 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.469 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 89.3 mmt-85 -82.43 -17.43 45.42 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 59.8 tp -63.19 -40.32 97.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.419 -179.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -67.63 -22.73 65.32 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 120.546 -0.462 . . . . 0.0 111.259 -179.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 74.3 m -61.76 -37.73 85.38 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.735 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.91 -38.05 89.42 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.3 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.1 -22.48 66.95 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.879 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.41 -31.67 70.61 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.589 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.07 -36.65 80.18 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.621 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -61.12 -39.64 90.78 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 120.691 -0.403 . . . . 0.0 110.698 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.76 -37.17 83.28 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.571 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.21 -36.4 83.5 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.619 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.5 mmtp -65.48 -25.28 67.42 Favored 'General case' 0 C--N 1.334 -0.108 0 C-N-CA 120.978 -0.289 . . . . 0.0 110.453 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -62.17 -28.38 69.62 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.547 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.49 -18.12 37.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.056 -179.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -58.01 -19.58 32.15 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.247 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 71.6 ttp85 -61.23 -37.8 84.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.387 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -66.86 -22.75 65.98 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.633 0.254 . . . . 0.0 110.977 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.434 ' O ' ' OD1' ' A' ' 47' ' ' ASP . . . -61.21 -23.58 65.72 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.685 -179.555 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.7 mt -69.55 -21.01 63.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.749 0.309 . . . . 0.0 110.321 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.11 -36.92 81.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.977 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 48' ' ' LYS . 58.2 p30 -66.35 -13.93 61.31 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.878 -179.443 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.456 ' N ' ' OD1' ' A' ' 47' ' ' ASP . 64.6 tttm -60.97 -38.3 85.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.311 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.5 tp -61.91 -38.87 90.03 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 120.776 -0.369 . . . . 0.0 110.388 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 62.55 34.32 15.28 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.584 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.413 ' O ' ' OD1' ' A' ' 51' ' ' ASP . 67.8 t0 -61.47 -37.6 84.21 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.529 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.418 ' CG ' ' OXT' ' A' ' 52' ' ' TYR . 89.8 t80 . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.415 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.338 0 N-CA-C 109.488 -1.445 . . . . 0.0 109.488 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.9 p -63.69 -23.7 67.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.717 0.294 . . . . 0.0 110.684 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.2 m -136.16 -5.05 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.677 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.13 -36.65 84.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.781 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt 54.43 37.4 27.62 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.371 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.0 tp -62.84 -39.18 93.59 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 120.946 -0.302 . . . . 0.0 110.61 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.429 ' CG2' ' OD1' ' A' ' 9' ' ' ASP . 8.8 t -152.53 150.01 29.12 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-O 120.718 0.294 . . . . 0.0 110.853 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -82.45 -14.29 55.35 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.429 ' OD1' ' CG2' ' A' ' 7' ' ' THR . 57.0 p30 -89.07 7.04 36.99 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.528 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.99 -36.78 80.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.542 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.4 -36.14 81.4 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.611 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.9 mt -63.72 -36.12 82.82 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.511 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -63.49 -37.07 85.87 Favored 'General case' 0 N--CA 1.462 0.148 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.555 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.524 ' NH1' ' OE2' ' A' ' 26' ' ' GLU . 63.3 ttm-85 -61.46 -37.95 85.46 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 61.6 tp -62.6 -38.37 89.91 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.129 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -61.06 -37.12 81.5 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 116.73 -0.214 . . . . 0.0 110.657 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 41.8 t-20 -79.23 68.84 5.31 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.504 -179.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -64.3 -19.41 65.4 Favored 'General case' 0 C--N 1.34 0.171 0 CA-C-O 120.73 0.3 . . . . 0.0 110.911 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 91.6 mtm180 -58.7 141.3 53.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.01 0.433 . . . . 0.0 110.88 -179.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 56.1 p-80 -72.09 -8.76 56.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.897 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.15 -37.72 80.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.478 -179.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -61.92 -38.48 88.57 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.217 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.41 -37.36 83.2 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.668 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -64.02 -36.61 84.55 Favored 'General case' 0 N--CA 1.462 0.151 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.593 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.1 tp -62.19 -38.71 90.15 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.375 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.524 ' OE2' ' NH1' ' A' ' 14' ' ' ARG . 95.2 mt-10 -86.26 -16.92 36.11 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 120.837 0.351 . . . . 0.0 110.289 179.384 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 63.3 ttm-85 -61.51 -37.74 84.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.423 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.4 tp -62.32 -38.98 91.56 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 120.634 -0.427 . . . . 0.0 110.453 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -63.1 -36.78 84.75 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.957 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 98.0 p -63.53 -21.66 66.45 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.783 0.325 . . . . 0.0 110.72 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.48 -38.13 86.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.252 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.67 -36.39 80.72 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 121.07 -0.252 . . . . 0.0 111.065 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -94.35 21.49 7.01 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -179.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.513 ' OD1' ' ND1' ' A' ' 35' ' ' HIS . 53.3 p-10 -83.23 5.2 23.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.186 0.517 . . . . 0.0 109.899 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.513 ' ND1' ' OD1' ' A' ' 34' ' ' ASP . 80.3 m80 -98.43 23.5 8.41 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 178.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 62.04 36.26 15.51 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.973 -179.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -63.36 -38.65 91.97 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.083 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -62.71 -37.0 84.78 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 120.894 -0.323 . . . . 0.0 110.67 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.6 -36.1 81.67 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.639 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.04 -25.88 67.93 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.491 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.15 -38.07 87.6 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.436 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.91 -36.28 82.85 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.645 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -70.77 -20.11 62.64 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.689 0.28 . . . . 0.0 110.446 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.74 -24.4 66.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.491 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.6 tp -61.97 -38.81 89.95 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.356 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.02 -38.07 87.27 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.429 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' A' ' 47' ' ' ASP . 67.0 t0 -61.53 -37.49 83.94 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.571 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -63.01 -36.15 82.6 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.719 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 91.0 mt -73.94 -15.18 61.13 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.774 0.321 . . . . 0.0 110.555 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.27 -24.66 67.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.557 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.415 ' O ' ' OD1' ' A' ' 51' ' ' ASP . 67.9 t0 -60.92 -37.88 83.8 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.719 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 117.952 -1.023 . . . . 0.0 110.506 179.79 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.309 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.8 m -62.76 -37.06 85.14 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 121.183 -0.207 . . . . 0.0 110.925 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.2 p -57.74 -30.43 37.45 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.936 -179.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.436 ' O ' ' O ' ' A' ' 7' ' ' THR . 98.5 mt-10 -62.52 -36.16 81.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.691 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.1 -38.15 85.29 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.495 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.6 ' N ' HD22 ' A' ' 6' ' ' LEU . 3.2 mm? -63.01 -36.49 83.73 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.763 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.436 ' O ' ' O ' ' A' ' 4' ' ' GLU . 99.6 m -106.07 125.07 50.55 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 120.856 0.36 . . . . 0.0 110.816 -179.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -82.32 -19.23 39.8 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.952 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -64.43 -26.69 68.56 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.462 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.77 -26.91 68.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.421 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.48 -36.66 83.19 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.64 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.2 mt -64.11 -35.88 82.2 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.415 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -63.72 -36.47 83.97 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.504 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.07 -36.75 82.6 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.625 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.6 mt -63.19 -36.37 83.42 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.422 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -65.15 -26.6 68.25 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 120.955 -0.298 . . . . 0.0 110.584 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 54.49 39.41 31.06 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.801 -0.359 . . . . 0.0 110.562 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 55.71 34.31 23.08 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.472 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 44.02 -124.09 0.9 Allowed 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.676 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.436 ' O ' ' OE1' ' A' ' 24' ' ' GLU . 58.8 m170 57.32 28.76 15.74 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.505 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -67.02 -38.51 86.06 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.783 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -66.87 -27.0 67.16 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.817 0.341 . . . . 0.0 110.878 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.04 -37.84 80.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.985 -179.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.436 ' OE1' ' O ' ' A' ' 20' ' ' HIS . 60.5 mp0 -63.76 -36.61 84.43 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.32 179.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.3 tp -62.97 -38.66 92.02 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 120.981 -0.287 . . . . 0.0 110.513 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.61 -38.28 87.05 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.653 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -63.6 -36.98 85.61 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.659 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.7 mt -85.02 -15.05 45.44 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.821 0.343 . . . . 0.0 110.256 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.53 -38.6 88.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.569 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 91.1 p -62.03 -33.28 74.08 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 120.947 -0.301 . . . . 0.0 110.639 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -62.57 -39.29 93.19 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.296 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -79.89 -18.58 50.26 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.747 0.308 . . . . 0.0 110.949 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.4 -15.33 50.21 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.07 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -91.75 110.14 21.47 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.102 -179.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.526 ' O ' ' CG ' ' A' ' 35' ' ' HIS . 85.4 t60 52.67 28.36 6.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.386 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -156.46 7.34 0.19 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.102 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -61.36 -31.73 71.63 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.234 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt -62.76 -36.87 84.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.833 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.525 ' OE1' ' NH1' ' A' ' 42' ' ' ARG . 80.4 mm-40 -67.46 -24.59 65.63 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.759 0.314 . . . . 0.0 110.631 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.41 -20.74 65.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.466 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.44 -35.87 78.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.805 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.525 ' NH1' ' OE1' ' A' ' 39' ' ' GLU . 88.6 mtm180 -62.13 -37.03 83.6 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.468 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -63.86 -36.08 82.76 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.5 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.55 -22.04 61.13 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.128 -178.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.1 mt -66.27 -28.38 68.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.354 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -65.43 -26.7 68.08 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.548 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.44 -36.46 80.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.778 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.444 ' O ' ' OD1' ' A' ' 51' ' ' ASP . 88.0 tttt -61.13 -38.62 87.02 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.369 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.3 mt -63.78 -35.19 79.79 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 120.859 -0.337 . . . . 0.0 110.572 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.01 -36.14 78.73 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.203 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.444 ' OD1' ' O ' ' A' ' 48' ' ' LYS . 98.0 m-20 54.37 37.52 27.74 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.445 -179.688 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.419 ' OXT' ' CG ' ' A' ' 52' ' ' TYR . 90.6 t80 . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.424 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.258 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.1 p -72.39 -14.49 61.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.632 0.253 . . . . 0.0 111.022 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.6 m -138.82 12.87 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.302 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.471 ' HG3' ' H ' ' A' ' 6' ' ' LEU . 24.6 pt-20 -66.24 -20.54 66.15 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.82 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt 53.67 41.26 32.12 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.079 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.471 ' H ' ' HG3' ' A' ' 4' ' ' GLU . 94.8 mt -102.34 4.47 39.05 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 120.766 0.317 . . . . 0.0 110.398 179.454 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 98.2 m -112.42 126.35 55.2 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.729 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.43 -20.78 39.66 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.419 ' O ' ' OE1' ' A' ' 13' ' ' GLN . 97.8 m-20 -65.07 -27.3 68.68 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.581 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.88 -23.98 66.64 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.56 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.62 -38.3 89.68 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.302 -179.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.2 mt -63.36 -39.16 93.78 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 120.522 -0.471 . . . . 0.0 111.151 -179.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.419 ' OE1' ' O ' ' A' ' 9' ' ' ASP . 26.0 mp0 -65.48 -36.94 85.37 Favored 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 120.694 -0.403 . . . . 0.0 110.952 179.674 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.37 -36.66 82.96 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.514 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.8 mt -64.21 -33.41 75.73 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.271 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -60.13 -38.54 83.38 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 121.024 -0.27 . . . . 0.0 110.739 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 63.4 t30 55.94 40.08 30.5 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 120.754 -0.379 . . . . 0.0 110.709 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 54.6 33.08 18.36 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 120.944 -0.303 . . . . 0.0 110.76 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.419 ' HG2' ' H ' ' A' ' 22' ' ' GLU . 43.8 ttm180 46.57 77.68 0.08 Allowed 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.586 179.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 34.1 p80 -66.75 -18.14 65.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.332 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -62.9 -38.1 89.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.139 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.419 ' H ' ' HG2' ' A' ' 19' ' ' ARG . 88.5 tt0 -62.4 -37.6 86.43 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.444 179.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.97 -29.82 69.9 Favored 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.406 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.88 -38.16 87.27 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.278 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 85.6 mt -64.01 -36.12 82.95 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.347 179.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -62.24 -37.31 84.9 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.634 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -61.12 -38.11 85.2 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.598 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.8 tp -62.61 -39.02 92.46 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.336 179.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.99 -38.7 89.57 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.699 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 93.5 p -61.89 -33.78 74.83 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.808 0.337 . . . . 0.0 110.62 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.77 -37.75 87.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.363 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.18 -21.24 66.08 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.898 -179.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.0 -34.26 73.09 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.448 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -83.87 71.3 10.48 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.862 0.363 . . . . 0.0 110.027 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 63.9 t-80 -155.09 -21.0 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.171 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 55.6 p30 -82.47 0.23 43.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.59 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -63.97 -24.88 67.89 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.602 -179.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -58.99 -17.34 24.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.108 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -59.67 -21.26 60.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.432 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.0 -26.55 68.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.379 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.7 -36.25 82.35 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.635 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -62.46 -37.08 84.53 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 120.909 -0.317 . . . . 0.0 110.649 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -68.67 -23.96 64.46 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.709 0.29 . . . . 0.0 111.017 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.428 ' O ' ' OD1' ' A' ' 47' ' ' ASP . . . -62.11 -22.65 65.99 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.615 -179.632 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.7 mt -70.55 -20.39 62.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.513 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -62.57 -25.99 68.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.078 -179.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.428 ' OD1' ' O ' ' A' ' 44' ' ' ALA . 55.4 p-10 -66.74 -14.17 62.26 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.786 -179.63 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -128.2 148.31 50.61 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 88.0 mt -91.92 -0.35 57.49 Favored 'General case' 0 C--N 1.348 0.505 0 CA-C-N 118.213 0.461 . . . . 0.0 110.487 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.36 -25.98 67.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.554 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.421 ' O ' ' O ' ' A' ' 52' ' ' TYR . 55.0 p-10 -83.98 2.02 40.9 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.811 0.338 . . . . 0.0 110.639 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.525 ' CG ' ' OXT' ' A' ' 52' ' ' TYR . 89.0 t80 . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.311 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.315 0 N-CA-C 109.489 -1.445 . . . . 0.0 109.489 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.1 p -63.54 -23.44 67.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.702 0.286 . . . . 0.0 110.515 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.8 p -57.4 -28.36 30.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.524 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.37 -38.05 88.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.766 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -62.07 -37.0 83.37 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.813 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.643 ' N ' HD12 ' A' ' 6' ' ' LEU . 8.0 mp -63.05 -35.91 81.8 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.731 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.415 ' OG1' ' OD1' ' A' ' 9' ' ' ASP . 70.4 p -78.89 163.32 25.38 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.949 0.404 . . . . 0.0 110.785 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -85.08 -2.68 58.27 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.117 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.415 ' OD1' ' OG1' ' A' ' 7' ' ' THR . 55.4 p30 -80.1 0.35 32.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.805 0.336 . . . . 0.0 110.54 -179.667 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.61 -25.45 68.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.463 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -64.54 -25.8 68.14 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.256 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.4 mt -63.84 -36.86 85.29 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.323 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -65.5 -35.55 81.21 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.506 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 26.0 mmt85 -65.05 -24.58 67.51 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 -179.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.7 tp -61.83 -39.77 92.98 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.239 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.426 ' O ' ' OE1' ' A' ' 22' ' ' GLU . 73.1 mmtt -73.46 -21.8 60.35 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -108.5 18.98 20.34 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.292 -179.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -61.22 -22.51 64.85 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.044 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 38.2 mmt180 -72.99 138.58 46.11 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.084 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -61.94 -41.15 97.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.062 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.4 -38.31 90.65 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.551 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.426 ' OE1' ' O ' ' A' ' 16' ' ' LYS . 95.7 mt-10 -64.27 -36.62 84.69 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.791 0.329 . . . . 0.0 110.371 179.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.2 -37.14 81.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.639 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -64.25 -35.84 82.13 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.733 179.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.0 mt -82.54 -15.39 52.52 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.824 0.345 . . . . 0.0 110.628 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -60.97 -37.46 82.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 -57.38 -23.87 51.83 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.571 -179.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.3 tp -62.56 -39.12 92.64 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.711 -0.395 . . . . 0.0 110.381 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -63.26 -36.67 84.44 Favored 'General case' 0 N--CA 1.462 0.166 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.555 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 75.2 m -61.83 -36.85 82.37 Favored 'General case' 0 C--N 1.333 -0.152 0 C-N-CA 121.005 -0.278 . . . . 0.0 110.748 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.06 -37.91 86.79 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.463 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.43 -22.35 66.83 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.645 0.259 . . . . 0.0 110.903 -179.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.2 -33.09 71.74 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.816 -0.353 . . . . 0.0 110.501 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 35' ' ' HIS . 65.8 t0 -64.94 137.02 57.48 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.428 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.522 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 22.1 m80 67.12 1.06 2.24 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.144 -179.224 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -70.06 -33.79 72.37 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 178.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -68.5 -22.94 64.51 Favored 'General case' 0 N--CA 1.461 0.088 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.456 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp -66.08 -24.44 66.71 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.248 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.02 -35.12 79.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.705 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.16 -24.58 67.26 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 121.031 -0.268 . . . . 0.0 110.862 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -64.97 -25.61 67.94 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.516 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -62.78 -36.28 82.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.673 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 56.9 mtmt -66.94 -22.31 65.94 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.671 0.272 . . . . 0.0 110.922 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.76 -23.7 65.18 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.636 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.8 tp -62.0 -38.87 90.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.48 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.26 -38.05 87.79 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.49 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -61.61 -36.62 81.23 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.673 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -62.34 -36.66 82.9 Favored 'General case' 0 C--O 1.232 0.14 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.668 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.7 tp -62.05 -39.23 91.66 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.499 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.33 -37.34 82.92 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.688 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.497 ' O ' ' CG ' ' A' ' 52' ' ' TYR . 98.1 m-20 -62.03 -36.74 82.49 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.687 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.497 ' CG ' ' O ' ' A' ' 51' ' ' ASP . 96.8 m-85 . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.43 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.366 0 N-CA-C 109.589 -1.404 . . . . 0.0 109.589 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.3 m -62.4 -37.45 85.82 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 121.18 -0.208 . . . . 0.0 110.861 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.8 p -59.08 -32.39 47.79 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.146 0 CA-C-O 120.832 0.349 . . . . 0.0 110.571 -179.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -63.67 -36.29 83.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.734 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.3 mmmt -65.23 -27.13 68.45 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.512 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.4 tp -62.44 -39.13 92.34 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.647 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 77.5 p -80.76 163.33 23.58 Favored 'General case' 0 N--CA 1.461 0.107 0 CA-C-O 120.926 0.393 . . . . 0.0 110.808 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.48 -12.38 60.03 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.459 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.27 -35.5 77.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.708 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.06 -26.04 67.36 Favored 'General case' 0 N--CA 1.463 0.195 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.645 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.92 -38.87 90.04 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.671 -0.412 . . . . 0.0 110.227 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.5 mt -65.25 -35.07 79.92 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.254 179.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -63.53 -36.24 83.14 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.655 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -60.32 -38.05 82.52 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.655 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 91.9 mt -62.78 -37.67 87.56 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.296 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -63.74 -36.48 84.0 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 120.971 -0.292 . . . . 0.0 110.291 179.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 60.7 t30 57.4 35.86 26.45 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.087 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.534 ' O ' ' CD2' ' A' ' 20' ' ' HIS . 97.4 mt-10 -93.49 -3.72 52.47 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.854 0.359 . . . . 0.0 110.401 179.139 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -64.1 -39.7 94.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.697 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.534 ' CD2' ' O ' ' A' ' 18' ' ' GLU . 87.5 m-70 61.64 12.14 4.37 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.989 -179.597 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -67.12 -37.27 83.59 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.355 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.94 -36.9 84.97 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.798 0.332 . . . . 0.0 110.413 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.1 -37.59 83.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.707 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.16 -36.67 84.81 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.653 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.3 tp -62.07 -36.39 81.51 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.578 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.5 tm-20 -58.88 -34.76 72.01 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.956 -0.298 . . . . 0.0 111.005 -179.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.4 mtt85 -61.92 -37.53 85.0 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.762 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.592 HD22 ' N ' ' A' ' 28' ' ' LEU . 3.0 mm? -64.82 -34.6 78.75 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.459 179.524 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.4 ttmm -60.26 -36.76 78.54 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.66 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 94.4 p -61.65 -23.31 65.97 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.686 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.85 -36.74 84.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.284 179.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.55 -20.36 63.17 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.908 -179.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.78 -33.81 72.19 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.486 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.429 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 67.6 t0 -61.17 -37.2 82.06 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.41 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 64.0 t-80 -61.99 -37.67 85.72 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.469 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.429 ' O ' ' OD1' ' A' ' 36' ' ' ASP . 67.5 t0 -61.43 -37.06 82.14 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 120.829 -0.349 . . . . 0.0 110.554 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -62.08 -36.46 81.74 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 120.899 -0.32 . . . . 0.0 110.62 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -61.15 -38.45 86.47 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.454 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.15 -37.9 86.93 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.441 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.11 -36.88 80.88 Favored 'General case' 0 N--CA 1.463 0.187 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.444 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.78 -36.17 82.25 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.501 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 79.0 ttt-85 -61.26 -37.96 84.97 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.567 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -67.9 -23.35 65.09 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.693 0.282 . . . . 0.0 111.13 -179.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.437 ' O ' ' OD1' ' A' ' 47' ' ' ASP . . . -61.17 -25.89 67.33 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.738 -179.481 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.4 mt -72.73 -17.97 61.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.719 0.295 . . . . 0.0 110.413 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -61.52 -38.29 86.84 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.722 -179.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 48' ' ' LYS . 58.1 p30 -70.2 -13.83 62.36 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.59 -179.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.439 ' N ' ' OD1' ' A' ' 47' ' ' ASP . 63.9 mttp 54.67 37.63 28.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.631 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.5 tp -62.81 -39.1 93.22 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.452 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.22 -28.64 69.83 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.558 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.434 ' O ' ' OD1' ' A' ' 51' ' ' ASP . 67.9 t0 -61.32 -37.83 84.66 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.625 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 91.9 t80 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.481 179.935 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.292 0 N-CA-C 109.476 -1.45 . . . . 0.0 109.476 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.536 ' O ' ' N ' ' A' ' 4' ' ' GLU . 94.1 p -63.61 -36.72 84.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.845 0.355 . . . . 0.0 110.552 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 30.7 m 35.94 26.19 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.511 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.536 ' N ' ' O ' ' A' ' 2' ' ' SER . 96.8 mt-10 -62.73 -36.63 83.6 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.904 -0.319 . . . . 0.0 110.85 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.422 ' O ' ' OD2' ' A' ' 9' ' ' ASP . 68.8 mttm -70.42 -20.22 62.93 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 121.11 -0.236 . . . . 0.0 110.999 -179.684 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 83.9 mt -93.44 1.5 56.82 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.287 -179.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.448 ' O ' ' O ' ' A' ' 4' ' ' GLU . 13.2 t -151.91 158.79 43.66 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.893 0.378 . . . . 0.0 110.806 179.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 55.8 31.31 17.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.483 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.422 ' OD2' ' O ' ' A' ' 5' ' ' LYS . 96.9 m-20 -75.15 -10.05 59.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.559 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.13 -26.72 67.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.127 -179.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -62.95 -26.82 69.0 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.978 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.3 mt -64.41 -35.7 81.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.373 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -66.42 -29.83 70.06 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 121.011 -0.275 . . . . 0.0 110.731 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -60.42 -38.68 84.84 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.783 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.1 mt -63.58 -36.64 84.47 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.522 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -62.75 -36.54 83.38 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.73 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 32.5 m120 -67.05 -25.9 66.49 Favored 'General case' 0 C--N 1.333 -0.129 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.71 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 54.95 38.38 30.36 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.803 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 73.1 mtp85 56.03 44.93 24.64 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.806 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 64.1 t-80 -63.84 -26.29 68.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.984 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -58.14 -31.82 67.57 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.774 -178.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -54.52 -19.81 6.56 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 120.365 -0.534 . . . . 0.0 110.616 -178.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.81 -24.93 68.0 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.399 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.56 -35.77 81.6 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.751 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.1 tp -61.3 -38.77 88.01 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.579 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.95 -37.97 86.75 Favored 'General case' 0 N--CA 1.463 0.207 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.621 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 78.9 ttt-85 -61.28 -37.63 83.86 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.598 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.3 tp -62.17 -39.1 91.53 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.65 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -62.87 -37.15 85.74 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.038 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 98.4 p -63.43 -22.79 67.09 Favored 'General case' 0 C--N 1.333 -0.118 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.716 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.65 -38.9 92.12 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.529 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.34 -37.88 87.36 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 121.157 -0.217 . . . . 0.0 111.385 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -96.92 21.8 9.18 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 120.774 0.321 . . . . 0.0 111.336 -179.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -86.36 107.88 18.2 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.448 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.525 ' O ' ' ND1' ' A' ' 35' ' ' HIS . 59.3 t-80 55.04 31.96 17.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.963 -179.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 53.82 35.28 21.16 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.163 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -62.59 -39.64 94.37 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.077 -179.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -61.38 -38.77 88.25 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.597 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.39 -36.6 82.81 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 120.95 -0.3 . . . . 0.0 110.996 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.99 -37.46 82.55 Favored 'General case' 0 N--CA 1.463 0.187 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.636 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.58 -35.8 81.7 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.688 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.12 -36.49 81.91 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 121.032 -0.267 . . . . 0.0 110.952 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -66.3 -22.58 66.29 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.714 0.293 . . . . 0.0 111.064 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.77 -23.83 65.29 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.423 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 98.2 mt -64.51 -33.08 75.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.377 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.99 -38.09 84.77 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.746 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.41 -36.57 80.7 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.637 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 54.64 38.2 29.53 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.736 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.1 tp -62.92 -39.07 93.45 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.657 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.27 -37.23 82.37 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.957 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.72 -37.16 83.16 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.752 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 91.8 t80 . . . . . 0 C--O 1.221 -0.42 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.507 -179.957 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.242 0 N-CA-C 109.59 -1.404 . . . . 0.0 109.59 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.5 p -63.67 -23.97 67.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.687 0.279 . . . . 0.0 110.639 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.3 m -135.32 -4.84 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.609 179.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -63.35 -36.6 84.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.717 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -67.02 -27.15 67.17 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.692 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 86.1 mt -97.16 -0.68 46.5 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.633 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.542 HG22 ' H ' ' A' ' 9' ' ' ASP . 93.8 m -117.86 128.6 55.0 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.817 0.341 . . . . 0.0 110.475 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -115.77 26.31 10.1 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.732 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.542 ' H ' HG22 ' A' ' 7' ' ' THR . 55.0 p30 -82.52 2.39 33.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.852 0.358 . . . . 0.0 110.769 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.18 -27.71 69.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.377 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.61 -36.74 83.74 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.686 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.8 mt -64.2 -36.25 83.45 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.536 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -62.69 -37.44 86.46 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.777 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 78.9 ttt-85 -61.67 -38.49 87.97 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.703 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.6 mt -63.46 -36.93 85.38 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.61 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -72.57 -17.38 61.71 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.883 0.373 . . . . 0.0 110.31 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -61.44 -35.74 78.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.564 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.18 -36.49 82.06 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.812 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -92.4 113.78 26.15 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.532 ' CE1' ' OE2' ' A' ' 21' ' ' GLU . 56.0 p-80 -81.47 -15.96 53.43 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.221 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.532 ' OE2' ' CE1' ' A' ' 20' ' ' HIS . 57.2 mp0 -64.55 -35.83 82.23 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.599 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -61.8 -38.59 88.66 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.154 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.54 -37.13 82.66 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.549 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -63.65 -36.36 83.59 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.616 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 94.7 mt -84.83 -15.59 44.27 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.802 0.334 . . . . 0.0 110.39 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.38 -37.3 82.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.045 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -58.04 -22.2 48.91 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.585 -179.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.2 tp -62.3 -38.85 90.97 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.335 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -61.19 -38.26 85.89 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.352 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.4 t -60.99 -39.09 88.32 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 120.859 -0.337 . . . . 0.0 110.649 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.43 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 97.4 mt-10 -63.43 -34.89 78.73 Favored 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.783 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.507 ' O ' ' ND1' ' A' ' 35' ' ' HIS . . . -59.46 -22.95 62.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.21 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.94 -24.06 67.58 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.44 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.43 ' OD1' ' O ' ' A' ' 31' ' ' GLU . 54.5 p30 -77.51 4.19 11.74 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.597 -179.537 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.507 ' ND1' ' O ' ' A' ' 32' ' ' ALA . 52.8 p-80 -62.58 -20.56 64.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.249 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.38 -36.39 80.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.459 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -61.15 -37.97 84.75 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.311 179.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.75 -36.76 81.94 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.552 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -61.92 -38.1 87.17 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.019 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.3 -36.17 79.38 Favored 'General case' 0 N--CA 1.462 0.138 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.506 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.16 -36.73 82.74 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.644 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -61.8 -38.21 87.26 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.436 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt -68.04 -22.71 64.95 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.637 0.256 . . . . 0.0 111.016 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.75 -25.89 66.81 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.856 -0.337 . . . . 0.0 110.705 -179.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.8 tp -62.16 -39.43 92.62 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.328 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.4 -34.71 78.34 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 121.027 -0.269 . . . . 0.0 110.872 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -60.7 -34.82 74.93 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.817 -179.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.34 -37.28 82.71 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.866 -179.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.605 ' N ' HD22 ' A' ' 49' ' ' LEU . 3.3 mm? -63.23 -36.97 85.42 Favored 'General case' 0 N--CA 1.462 0.164 0 C-N-CA 120.591 -0.443 . . . . 0.0 110.48 179.676 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 57.24 28.55 15.32 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.323 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -61.95 -36.96 82.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.559 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 117.947 -1.025 . . . . 0.0 110.573 -179.97 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.33 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.5 m -62.67 -37.21 85.53 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 121.159 -0.216 . . . . 0.0 110.944 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.434 ' C ' ' H ' ' A' ' 5' ' ' LYS . 35.0 m -136.38 158.23 37.82 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.76 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 76.5 -26.87 0.18 Allowed 'General case' 0 C--N 1.35 0.607 0 CA-C-N 118.482 0.583 . . . . 0.0 110.731 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.434 ' H ' ' C ' ' A' ' 3' ' ' VAL . 48.1 mmtm -102.2 2.49 37.28 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.376 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 85.9 mt -96.24 2.92 53.34 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.553 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.414 ' CG2' ' OD1' ' A' ' 9' ' ' ASP . 9.0 t -150.53 148.91 29.26 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.868 0.366 . . . . 0.0 110.824 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -89.43 -7.12 55.79 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.861 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.414 ' OD1' ' CG2' ' A' ' 7' ' ' THR . 55.6 p30 -84.88 4.75 31.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.565 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.35 -36.92 81.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.01 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -62.42 -27.69 69.27 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.957 -179.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.6 mt -67.28 -33.45 75.33 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.844 -0.343 . . . . 0.0 110.306 179.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -61.76 -36.48 81.14 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.77 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.445 ' O ' ' OD1' ' A' ' 17' ' ' ASN . 60.0 ttt85 -59.98 -38.3 82.14 Favored 'General case' 0 N--CA 1.463 0.209 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.382 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.6 mt -64.15 -36.01 82.66 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.521 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -62.99 -37.93 89.11 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -179.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.445 ' OD1' ' O ' ' A' ' 14' ' ' ARG . 55.0 p30 -98.84 14.32 29.32 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.64 0.257 . . . . 0.0 111.395 -179.174 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.52 -37.87 85.28 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.417 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 90.7 mtm180 -68.14 146.1 53.75 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.783 0.325 . . . . 0.0 110.342 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -134.24 148.2 50.8 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.022 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -64.52 -36.03 82.9 Favored 'General case' 0 C--N 1.345 0.397 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.634 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -64.29 -36.02 82.75 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.528 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.22 -23.65 67.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.16 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -64.0 -36.79 85.14 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.583 -179.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.7 pp -64.91 -24.31 67.49 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.461 -179.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.68 -37.13 82.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.281 -0.418 . . . . 0.0 109.928 179.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -62.08 -38.17 87.81 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.738 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.8 tp -62.02 -39.46 92.35 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.508 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -63.5 -36.82 85.02 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.538 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 75.4 m -62.18 -36.82 83.05 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 121.026 -0.27 . . . . 0.0 110.829 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -61.88 -37.91 86.34 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.435 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.4 -22.12 66.69 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.655 0.264 . . . . 0.0 110.899 -179.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.48 -31.95 70.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.661 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 54.76 40.33 31.87 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.473 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 77.2 m80 55.12 36.77 27.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.227 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 53.9 35.46 21.84 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.306 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -62.37 -39.61 93.72 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 120.904 -0.319 . . . . 0.0 111.016 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -62.42 -36.78 83.45 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.984 -179.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.68 -35.96 81.36 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.798 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.77 -27.55 68.82 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.791 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -66.04 -27.11 67.85 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.566 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 46.3 mmm-85 -62.71 -36.24 82.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.364 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -67.1 -22.43 65.82 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.643 0.259 . . . . 0.0 111.034 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.04 -23.74 65.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.6 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.8 mt -65.99 -29.56 69.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.349 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.11 -37.74 86.27 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.561 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.12 -36.93 81.05 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.551 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.436 ' O ' ' OD1' ' A' ' 51' ' ' ASP . 68.5 mttm -62.99 -36.5 83.72 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.822 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 94.0 mt -62.83 -36.49 83.36 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.614 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.53 -25.31 67.97 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.393 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 48' ' ' LYS . 96.5 m-20 54.21 37.47 27.3 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.637 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 92.3 t80 . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.427 179.914 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.343 0 N-CA-C 109.524 -1.43 . . . . 0.0 109.524 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.492 ' C ' ' H ' ' A' ' 4' ' ' GLU . 89.4 p -69.56 -19.96 63.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.741 0.305 . . . . 0.0 110.806 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.1 t 62.36 -1.02 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.356 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.492 ' H ' ' C ' ' A' ' 2' ' ' SER . 88.5 tt0 -62.69 -38.39 90.21 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.598 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.74 -36.89 84.48 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.615 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.62 ' N ' HD22 ' A' ' 6' ' ' LEU . 3.2 mm? -63.69 -36.72 84.77 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.6 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.536 HG22 ' H ' ' A' ' 9' ' ' ASP . 24.0 m -61.74 137.91 58.28 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.13 5.03 4.75 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 -179.172 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.536 ' H ' HG22 ' A' ' 7' ' ' THR . 54.0 p-10 -82.21 3.53 26.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.657 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.32 -27.1 68.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.471 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.32 -36.46 82.24 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.481 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.3 mt -64.56 -35.13 79.99 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.317 179.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -65.86 -29.91 70.44 Favored 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 120.99 -0.284 . . . . 0.0 110.573 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -61.98 -36.79 82.52 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.743 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.3 mt -62.97 -36.67 84.25 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.43 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -63.08 -36.29 83.08 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 121.18 -0.208 . . . . 0.0 110.721 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -99.31 16.03 24.32 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 111.577 0.214 . . . . 0.0 111.577 -178.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -59.52 -18.73 42.75 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.449 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -62.12 -22.18 65.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.47 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -61.21 -38.96 88.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.574 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.81 -37.91 86.16 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.459 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.93 -37.98 86.74 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.495 179.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.59 -26.81 68.79 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.514 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.17 -37.99 87.37 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.428 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.623 ' N ' HD12 ' A' ' 25' ' ' LEU . 7.9 mp -62.17 -36.71 82.7 Favored 'General case' 0 C--O 1.232 0.145 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.484 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.16 -38.13 87.85 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.309 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.4 tpt180 -60.8 -38.78 86.52 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.397 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.1 mt -63.78 -36.16 82.97 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.211 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.28 -38.31 86.29 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.417 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 74.3 m -61.55 -37.43 83.75 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.672 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -62.48 -37.79 87.36 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.046 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.45 -22.56 66.3 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.717 -179.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.36 -27.77 68.75 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.049 -179.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.425 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 67.1 t0 -60.93 -38.07 84.51 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.586 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -70.37 -29.72 66.46 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.631 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -62.25 -33.68 75.08 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.442 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -59.89 -39.08 84.15 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.441 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.89 -36.96 85.06 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.461 179.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -67.47 -27.9 67.41 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.69 0.281 . . . . 0.0 110.671 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -82.91 -17.88 42.13 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.983 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.24 -40.32 97.1 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 120.774 -0.37 . . . . 0.0 111.563 -179.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.8 ptm180 -71.38 -26.65 62.88 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.961 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -70.76 -21.22 62.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.032 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.46 -26.1 66.52 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.426 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.9 tp -62.47 -39.02 92.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.423 179.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -62.2 -38.39 88.95 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.288 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -66.38 -24.17 66.44 Favored 'General case' 0 C--N 1.333 -0.109 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.496 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt 56.34 42.15 28.13 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 99.8 mt -62.44 -36.33 82.06 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.261 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 58.7 31.55 21.27 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.301 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.78 -36.95 82.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.553 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 88.9 t80 . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.364 -179.976 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.299 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.1 p -63.53 -23.31 67.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.773 0.32 . . . . 0.0 110.426 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 54.1 t -63.31 -40.17 88.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.488 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 53.5 33.12 15.43 Favored 'General case' 0 N--CA 1.463 0.195 0 C-N-CA 120.876 -0.329 . . . . 0.0 110.483 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 68.4 mttm 54.31 37.86 28.29 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.699 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.425 ' C ' ' H ' ' A' ' 8' ' ' ALA . 71.6 mt 59.0 28.69 18.03 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.691 0.281 . . . . 0.0 110.275 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 6' ' ' LEU . 5.9 p 59.35 5.01 0.54 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.522 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.425 ' H ' ' C ' ' A' ' 6' ' ' LEU . . . -63.26 -24.2 67.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.367 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 56.9 p30 -88.26 7.98 29.54 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.459 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.81 -34.53 74.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.633 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -62.21 -34.64 76.85 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 120.924 -0.311 . . . . 0.0 110.714 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.6 mt -63.13 -35.53 80.58 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 120.946 -0.302 . . . . 0.0 110.627 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -61.06 -36.88 80.78 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.826 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.426 ' O ' ' OD1' ' A' ' 17' ' ' ASN . 83.8 mtt85 -62.55 -35.96 81.1 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.773 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.1 mt -68.82 -21.85 64.28 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.562 0.22 . . . . 0.0 111.103 -179.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -63.4 -24.8 68.0 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 121.073 -0.251 . . . . 0.0 110.842 -179.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.426 ' OD1' ' O ' ' A' ' 14' ' ' ARG . 55.2 p30 -84.86 -3.4 58.65 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 111.849 0.315 . . . . 0.0 111.849 -179.172 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 42.46 29.68 0.17 Allowed 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.992 0.425 . . . . 0.0 110.394 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.543 ' O ' ' CG ' ' A' ' 20' ' ' HIS . 91.3 mtm180 53.92 41.34 32.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.46 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.543 ' CG ' ' O ' ' A' ' 19' ' ' ARG . 32.3 p80 41.83 19.13 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.73 179.558 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 19' ' ' ARG . 95.7 mt-10 -65.06 -38.82 92.06 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 120.488 -0.485 . . . . 0.0 111.335 179.563 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.54 -38.2 89.07 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.51 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.22 -37.43 82.99 Favored 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.629 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -64.39 -36.51 84.39 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.357 179.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.4 tp -62.79 -38.79 92.03 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 121.04 -0.264 . . . . 0.0 110.444 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.74 -38.44 87.95 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.642 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 59.0 ttp180 -61.73 -38.12 86.74 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 120.656 -0.418 . . . . 0.0 110.482 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.7 mt -64.38 -35.7 81.74 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.513 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -60.85 -38.14 84.5 Favored 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 120.919 -0.312 . . . . 0.0 110.79 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 91.8 p -61.21 -31.95 71.72 Favored 'General case' 0 C--N 1.334 -0.072 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.646 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.79 -37.35 86.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.374 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.96 -22.1 65.35 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.739 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.14 -25.49 67.77 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.452 -179.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.517 ' OD1' ' CD2' ' A' ' 35' ' ' HIS . 57.6 p30 -65.54 -14.66 61.54 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.93 -179.486 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.517 ' CD2' ' OD1' ' A' ' 34' ' ' ASP . 99.1 m-70 -99.42 5.4 46.32 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.995 0.426 . . . . 0.0 110.06 179.158 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -62.69 -35.51 79.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.196 179.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -61.49 -36.44 80.46 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.504 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -62.26 -36.56 82.42 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.615 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.36 -37.38 85.47 Favored 'General case' 0 N--CA 1.463 0.195 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.536 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.54 -35.86 77.03 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.585 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -65.01 -17.21 64.25 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.86 0.362 . . . . 0.0 110.79 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 73.3 ttp85 -58.5 -34.27 70.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.071 -179.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -57.66 -19.46 26.87 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.712 0.292 . . . . 0.0 110.836 -179.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.26 -22.41 63.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.552 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.47 -27.36 67.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.279 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -62.67 -35.64 80.3 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.59 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' A' ' 47' ' ' ASP . 67.2 t0 -61.21 -37.44 83.01 Favored 'General case' 0 N--CA 1.462 0.162 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.512 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.29 -36.73 83.02 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.584 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.4 tp -62.25 -39.02 91.48 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 120.794 -0.363 . . . . 0.0 110.386 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.24 -37.01 81.53 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.59 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 53.3 t0 55.35 40.59 31.48 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.59 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 50.0 p90 . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.984 -1.007 . . . . 0.0 110.544 179.961 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.319 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.7 t -63.26 -40.95 98.85 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.984 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 55.8 t -66.62 -43.11 90.61 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 120.643 -0.423 . . . . 0.0 111.118 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.436 ' O ' ' O ' ' A' ' 7' ' ' THR . 24.7 pt-20 -72.9 -18.61 61.39 Favored 'General case' 0 C--N 1.334 -0.071 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.873 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -61.91 -38.52 88.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.523 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.2 tp -63.1 -38.94 93.19 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.9 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.436 ' O ' ' O ' ' A' ' 4' ' ' GLU . 99.5 m -107.92 125.89 52.03 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 120.88 0.371 . . . . 0.0 111.024 -179.491 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -82.4 -18.94 40.2 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.039 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -64.5 -25.57 68.05 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.513 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.29 -28.66 69.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.435 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -62.85 -36.13 82.23 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.704 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.5 mt -64.5 -34.78 79.01 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.28 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -63.5 -35.71 81.37 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.815 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -59.96 -37.1 78.6 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.811 -0.355 . . . . 0.0 110.381 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.7 mt -62.01 -36.56 81.91 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.404 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -65.96 -24.26 66.77 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.798 0.332 . . . . 0.0 110.306 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.516 ' ND2' ' OE2' ' A' ' 21' ' ' GLU . 62.3 t30 57.65 39.05 27.8 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.682 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.7 -37.67 87.38 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.329 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 85.1 mtp180 -71.68 154.75 41.15 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.843 0.354 . . . . 0.0 111.042 -179.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 72.3 m80 60.32 29.86 19.35 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.288 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.516 ' OE2' ' ND2' ' A' ' 17' ' ' ASN . 80.8 mm-40 -103.67 -24.19 13.39 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.648 0.261 . . . . 0.0 110.952 179.458 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.98 -37.92 89.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.632 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.7 -37.09 80.48 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.576 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -63.76 -36.46 83.95 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.409 179.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.0 mt -82.5 -16.19 49.65 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.796 0.332 . . . . 0.0 110.405 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.68 -38.34 87.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.702 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 78.9 ttt-85 -61.28 -38.31 86.3 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.261 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 87.6 mt -65.53 -35.13 79.96 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.5 179.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -84.42 -14.96 47.89 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.712 0.291 . . . . 0.0 110.599 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 75.7 m -61.68 -36.38 80.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.519 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -61.95 -36.65 82.04 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.343 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.27 -20.99 63.5 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.996 -179.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.84 -33.33 71.64 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.467 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.428 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 66.8 t0 -61.29 -35.22 76.74 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 121.052 -0.259 . . . . 0.0 110.678 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -87.49 -1.35 57.87 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.666 0.269 . . . . 0.0 110.794 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.434 ' O ' ' OD1' ' A' ' 36' ' ' ASP . 67.9 t0 -61.48 -36.84 81.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.536 179.652 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -61.96 -35.85 79.67 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 121.01 -0.276 . . . . 0.0 110.772 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -60.63 -37.65 82.16 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.398 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -63.54 -21.38 66.31 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.785 0.326 . . . . 0.0 110.832 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.15 -19.47 53.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.895 -179.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -57.8 -15.92 9.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.882 0.372 . . . . 0.0 110.617 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -57.24 -29.95 64.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.098 -179.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -58.05 -19.53 32.35 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.922 -179.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.27 -22.51 63.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.59 -179.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.5 mt -65.94 -28.03 68.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.238 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.01 -37.64 85.62 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.582 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.09 -36.38 79.51 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.74 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt 55.16 38.4 30.38 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.56 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 67.6 mt 56.31 26.86 11.04 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.426 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.36 -32.6 72.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.372 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.43 ' O ' ' O ' ' A' ' 52' ' ' TYR . 53.1 t0 57.72 39.38 27.32 Favored 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 120.894 -0.323 . . . . 0.0 110.376 -179.738 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.52 ' CG ' ' OXT' ' A' ' 52' ' ' TYR . 92.1 t80 . . . . . 0 C--O 1.219 -0.518 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.428 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.29 0 N-CA-C 109.597 -1.401 . . . . 0.0 109.597 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.6 p -63.97 -23.4 67.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.69 0.281 . . . . 0.0 110.768 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.5 m -134.83 -5.36 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.74 179.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -62.6 -38.54 90.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.142 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -62.95 -36.69 84.3 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.641 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.549 ' O ' ' N ' ' A' ' 8' ' ' ALA . 59.9 tp -63.12 -39.37 94.49 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.811 -179.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.493 ' OG1' ' N ' ' A' ' 8' ' ' ALA . 36.4 p 54.67 -79.0 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 120.646 0.26 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.549 ' N ' ' O ' ' A' ' 6' ' ' LEU . . . 54.71 31.99 16.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.65 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 56.9 p30 -86.53 3.03 45.91 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.636 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.9 -37.49 84.8 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.094 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -65.4 -25.83 67.72 Favored 'General case' 0 C--O 1.231 0.13 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.184 -179.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.3 mt -65.19 -36.65 84.87 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.554 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -63.15 -36.66 84.35 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.911 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 63.3 ttm-85 -61.04 -37.74 83.67 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.814 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.6 tp -61.62 -39.32 90.85 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.559 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -71.65 -21.16 61.86 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-O 120.803 0.335 . . . . 0.0 110.298 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -61.69 -35.7 78.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.71 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.03 -35.76 79.53 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 120.966 -0.293 . . . . 0.0 110.665 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.52 ' NH1' ' OE1' ' A' ' 21' ' ' GLU . 60.6 ttt85 -86.77 108.02 18.52 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.84 0.352 . . . . 0.0 110.394 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 56.1 p-80 -82.71 -13.56 56.16 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.538 179.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.52 ' OE1' ' NH1' ' A' ' 19' ' ' ARG . 97.5 mt-10 -65.72 -35.14 79.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.756 179.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.4 -37.42 83.39 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.436 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.58 -36.62 78.95 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 120.699 -0.401 . . . . 0.0 110.495 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -63.34 -36.26 83.11 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.424 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.7 tp -61.3 -37.23 82.46 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 120.992 -0.283 . . . . 0.0 110.443 179.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -59.55 -35.48 74.3 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 121.075 -0.25 . . . . 0.0 110.588 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.8 tpp85 -59.15 -38.75 80.44 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.207 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.633 ' N ' HD12 ' A' ' 28' ' ' LEU . 8.2 mp -63.02 -36.37 83.34 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.615 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -60.69 -38.39 84.82 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.315 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 75.7 m -61.89 -36.97 82.86 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.826 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -61.54 -37.72 84.8 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.174 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.32 -22.73 66.29 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.926 -179.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.73 -29.28 69.27 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.797 -179.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.16 -36.22 79.21 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.454 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -60.95 -39.24 88.75 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.732 179.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.417 ' O ' ' OD1' ' A' ' 36' ' ' ASP . 67.9 t0 -61.14 -36.94 81.11 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.59 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -62.08 -36.42 81.6 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.583 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -64.6 -28.14 69.42 Favored 'General case' 0 N--CA 1.461 0.119 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.533 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.36 -38.01 87.91 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.381 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.44 -26.51 68.55 Favored 'General case' 0 N--CA 1.462 0.173 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.58 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.12 -38.09 87.63 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.406 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -62.81 -36.48 83.31 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.693 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 29.8 mmtp -69.01 -21.65 64.12 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.743 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.23 -23.76 65.86 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.389 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.2 tp -62.29 -38.95 91.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.441 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.58 -36.79 83.84 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.493 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -62.02 -35.91 79.98 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.405 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 98.5 mttt 59.04 39.67 23.1 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.735 179.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -89.65 -11.81 41.43 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 178.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.41 -36.55 80.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.683 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.524 ' O ' ' CG ' ' A' ' 52' ' ' TYR . 49.7 t0 58.4 37.69 25.77 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 120.889 -0.325 . . . . 0.0 110.614 -179.723 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.524 ' CG ' ' O ' ' A' ' 51' ' ' ASP . 45.4 m-85 . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.174 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.281 0 N-CA-C 109.592 -1.403 . . . . 0.0 109.592 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.2 m -62.38 -37.51 86.02 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 121.144 -0.222 . . . . 0.0 110.882 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.7 m -135.57 -2.73 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 CA-C-O 120.755 0.312 . . . . 0.0 110.629 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.73 -38.46 90.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.527 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -70.49 -22.97 62.6 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.616 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 85.0 mt -94.56 -3.59 49.46 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.556 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 98.7 m -63.09 -43.12 99.38 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.705 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.39 26.45 1.95 Allowed 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.971 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 53.2 p-10 -80.36 1.17 29.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.755 0.312 . . . . 0.0 110.563 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.34 -26.67 68.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.504 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.77 -36.1 81.98 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.544 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 91.7 mt -68.83 -25.22 64.56 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-O 120.737 0.303 . . . . 0.0 110.377 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -61.26 -36.89 81.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.634 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 92.0 mtm180 -62.53 -36.18 81.76 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.666 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.2 tp -61.91 -39.05 90.68 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.391 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -62.41 -36.97 84.01 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.658 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.46 -36.91 83.93 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.666 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.95 -36.41 83.36 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.671 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 76.7 mtp85 -69.9 144.76 52.36 Favored 'General case' 0 C--O 1.231 0.126 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.491 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 61.9 m170 56.29 32.35 20.25 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.626 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -64.94 -40.4 94.97 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 120.741 -0.384 . . . . 0.0 111.407 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.4 pm0 -65.26 -19.21 65.86 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-O 120.719 0.295 . . . . 0.0 111.069 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.55 -27.77 68.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.541 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.1 -38.77 90.15 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.332 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 87.1 mt -65.25 -35.82 82.21 Favored 'General case' 0 CA--C 1.528 0.114 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.338 179.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.38 -37.81 87.16 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.574 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 44.2 mmm-85 -62.72 -37.22 85.66 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 120.724 -0.391 . . . . 0.0 110.608 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.0 mt -64.33 -38.0 89.49 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.593 179.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -64.86 -36.71 85.24 Favored 'General case' 0 C--O 1.233 0.191 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.778 179.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 97.0 p -63.44 -23.3 67.34 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.74 0.305 . . . . 0.0 110.678 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -62.96 -37.88 88.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.165 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.1 -22.27 66.75 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.051 -179.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.444 ' O ' ' OD1' ' A' ' 36' ' ' ASP . . . -60.17 -35.85 76.27 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.566 -0.454 . . . . 0.0 110.413 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.427 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 59.7 t0 -70.82 -29.48 65.65 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.647 179.66 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -93.92 1.54 56.31 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.53 -179.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.444 ' OD1' ' O ' ' A' ' 33' ' ' ALA . 51.0 p30 -81.22 -1.82 46.32 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.516 -0.473 . . . . 0.0 110.286 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -62.49 -29.21 70.38 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -61.57 -38.13 86.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.266 179.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.22 -35.76 79.88 Favored 'General case' 0 C--N 1.333 -0.132 0 C-N-CA 120.931 -0.308 . . . . 0.0 110.625 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.47 -26.63 68.02 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.407 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.46 -37.79 87.3 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.32 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -61.32 -38.61 87.47 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.551 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -70.41 -22.91 62.68 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.625 0.25 . . . . 0.0 111.003 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.07 -27.7 68.54 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.673 -179.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.638 ' N ' HD12 ' A' ' 45' ' ' LEU . 7.7 mp -62.76 -36.75 84.07 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.539 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.35 -36.61 82.76 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.685 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -63.74 -26.52 68.68 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.409 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -87.91 -2.43 58.61 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.208 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 68.0 mt 57.54 28.35 15.45 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.409 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.73 -26.81 68.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.517 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.43 ' O ' ' OD1' ' A' ' 51' ' ' ASP . 67.8 t0 -61.49 -37.76 84.83 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.916 -0.314 . . . . 0.0 110.72 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 92.0 t80 . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.429 179.838 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.387 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.0 p -63.49 -24.13 67.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.947 0.403 . . . . 0.0 110.583 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 54.3 t -65.65 -40.07 86.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.192 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.79 -39.29 93.79 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.722 -178.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.515 ' C ' ' H ' ' A' ' 7' ' ' THR . 16.8 ptpt -84.08 -34.81 24.11 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.702 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.1 tp 51.27 5.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.054 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.515 ' H ' ' C ' ' A' ' 5' ' ' LYS . 81.9 p -134.82 159.29 41.85 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.842 0.353 . . . . 0.0 110.722 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -91.29 -0.68 57.71 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.456 179.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -62.09 -29.64 70.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.923 -179.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.62 -36.6 79.01 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.641 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.76 -36.57 83.5 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.524 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.8 mt -67.9 -28.51 67.57 Favored 'General case' 0 N--CA 1.463 0.195 0 C-N-CA 120.951 -0.3 . . . . 0.0 110.477 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -61.54 -36.84 81.71 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.592 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -60.98 -38.07 84.67 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.741 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.642 ' N ' HD12 ' A' ' 15' ' ' LEU . 7.9 mp -62.28 -37.12 84.29 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.771 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.23 -37.17 84.35 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.478 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.85 -36.32 82.87 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.459 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -68.73 157.04 37.15 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.8 ptm180 -149.75 170.55 18.47 Favored 'General case' 0 C--N 1.344 0.352 0 CA-C-N 118.171 0.441 . . . . 0.0 110.648 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.52 ' CE1' ' CB ' ' A' ' 23' ' ' ALA . 37.6 t-80 71.88 15.51 5.72 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.172 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -70.17 -35.89 74.3 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.778 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.61 -28.43 69.89 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.915 0.388 . . . . 0.0 110.556 -179.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.52 ' CB ' ' CE1' ' A' ' 20' ' ' HIS . . . -61.24 -23.01 65.33 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.453 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -62.54 -37.09 84.75 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.557 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 86.7 mt -64.23 -36.1 82.98 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.118 179.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -66.4 -35.28 79.91 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.41 178.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 -65.66 -27.33 68.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.424 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 61.1 tp -61.25 -39.18 89.37 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.315 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -63.34 -36.8 84.9 Favored 'General case' 0 N--CA 1.462 0.133 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.554 179.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 75.2 m -61.84 -36.36 80.97 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.989 -0.284 . . . . 0.0 110.671 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -61.38 -36.94 81.63 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.483 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.69 -21.47 64.48 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.959 -179.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.407 ' O ' ' CG ' ' A' ' 36' ' ' ASP . . . -59.89 -33.86 72.4 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.539 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.437 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 58.0 t0 -62.57 -23.75 67.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.806 0.336 . . . . 0.0 110.385 179.709 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 63.1 m170 -84.98 1.15 48.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.385 -179.098 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.407 ' CG ' ' O ' ' A' ' 33' ' ' ALA . 48.9 p-10 -79.45 -0.55 33.52 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 120.506 -0.477 . . . . 0.0 110.261 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -62.44 -28.42 69.79 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.936 -179.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.32 -35.93 80.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.575 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.13 -35.38 78.58 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 120.932 -0.307 . . . . 0.0 110.672 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.5 -25.99 67.62 Favored 'General case' 0 N--CA 1.462 0.159 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.572 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -62.13 -38.03 87.4 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.14 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -61.3 -37.71 84.22 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.414 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt -66.56 -23.01 66.15 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 120.664 0.268 . . . . 0.0 111.124 -179.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.22 -23.19 65.44 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.6 -179.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.4 mt -62.98 -36.43 83.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.454 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.51 -38.0 88.23 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 120.751 -0.379 . . . . 0.0 110.407 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.427 ' OD1' ' O ' ' A' ' 47' ' ' ASP . 67.2 t0 -61.59 -36.9 81.99 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.556 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 98.2 mttt 55.32 37.76 29.37 Favored 'General case' 0 N--CA 1.462 0.162 0 C-N-CA 120.975 -0.29 . . . . 0.0 110.565 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.4 tp -62.96 -38.87 92.8 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.505 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.09 -37.01 81.21 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.811 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.5 -37.03 82.18 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.706 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 91.2 t80 . . . . . 0 C--O 1.221 -0.414 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.458 179.985 . . . . . . . . 0 0 . 1 stop_ save_