data_6hz2_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 6hz2 _Structure_validation_residue.Date_analyzed 2019-02-15 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 ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.032 0 N-CA-C 110.375 -1.09 . . . . 0.0 110.375 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.0 tt -58.34 -35.01 51.83 Favored 'Isoleucine or valine' 0 C--N 1.346 0.424 0 C-N-CA 125.943 1.697 . . . . 0.0 113.647 -174.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.46 -31.65 67.06 Favored Glycine 0 C--N 1.353 1.525 0 O-C-N 120.79 -1.194 . . . . 0.0 114.556 175.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.33 -4.78 89.18 Favored Glycine 0 C--N 1.35 1.358 0 O-C-N 121.663 -0.904 . . . . 0.0 113.349 177.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.9 tttp -98.79 -56.36 2.46 Favored 'General case' 0 N--CA 1.444 -0.744 0 O-C-N 121.154 -1.204 . . . . 0.0 109.705 168.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 28.2 pt -69.99 -41.43 79.36 Favored 'Isoleucine or valine' 0 C--N 1.351 0.666 0 N-CA-C 115.388 1.625 . . . . 0.0 115.388 -174.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 86.6 mt -78.48 -21.53 48.84 Favored 'General case' 0 C--N 1.354 0.768 0 O-C-N 119.538 -1.976 . . . . 0.0 111.739 -177.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.3 m -71.69 -15.76 62.22 Favored 'General case' 0 CA--C 1.513 -0.445 0 C-N-CA 125.007 1.323 . . . . 0.0 112.132 175.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.15 -65.2 1.22 Allowed Glycine 0 C--N 1.348 1.244 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 160.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -61.73 -48.2 81.81 Favored 'General case' 0 C--N 1.348 0.506 0 N-CA-C 116.191 1.923 . . . . 0.0 116.191 -167.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.8 mmtm -72.99 -38.1 66.75 Favored 'General case' 0 C--N 1.351 0.643 0 O-C-N 119.551 -1.968 . . . . 0.0 111.753 178.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.7 m -59.88 -43.73 94.59 Favored 'General case' 0 CA--C 1.51 -0.571 0 C-N-CA 124.556 1.143 . . . . 0.0 112.433 175.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.95 -47.64 79.63 Favored 'General case' 0 N--CA 1.448 -0.537 0 O-C-N 120.167 -1.583 . . . . 0.0 113.231 171.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.2 tp -63.22 -41.5 99.13 Favored 'General case' 0 C--N 1.349 0.558 0 N-CA-C 115.56 1.689 . . . . 0.0 115.56 -176.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -150.1 20.47 0.87 Allowed 'General case' 0 C--N 1.346 0.426 0 O-C-N 119.823 -1.798 . . . . 0.0 113.172 -172.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -103.63 -76.78 1.14 Allowed Glycine 0 C--N 1.346 1.138 0 N-CA-C 107.58 -2.208 . . . . 0.0 107.58 160.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.02 -41.45 87.79 Favored 'General case' 0 N--CA 1.451 -0.412 0 O-C-N 120.817 -1.402 . . . . 0.0 112.974 178.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.91 17.73 6.45 Favored 'General case' 0 N--CA 1.447 -0.587 0 O-C-N 120.733 -1.229 . . . . 0.0 112.835 173.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.443 ' HZ1' ' CD ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -91.1 -52.96 4.57 Favored 'General case' 0 C--N 1.353 0.76 0 O-C-N 119.93 -1.731 . . . . 0.0 107.232 150.462 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.443 ' CD ' ' HZ1' ' A' ' 19' ' ' LYS . 10.5 mm-40 -61.78 -43.56 98.61 Favored 'General case' 0 C--N 1.35 0.605 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 -175.121 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.8 tt -61.15 -34.42 74.98 Favored 'General case' 0 C--N 1.348 0.52 0 O-C-N 120.64 -1.287 . . . . 0.0 113.137 174.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.95 4.64 49.44 Favored 'General case' 0 N--CA 1.443 -0.806 0 O-C-N 120.67 -1.269 . . . . 0.0 112.187 -177.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 t -65.03 -41.86 94.87 Favored 'General case' 0 CA--C 1.507 -0.675 0 N-CA-C 114.785 1.402 . . . . 0.0 114.785 -162.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.0 m -62.88 -44.12 96.97 Favored 'General case' 0 CA--C 1.515 -0.369 0 O-C-N 120.862 -1.149 . . . . 0.0 112.299 175.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -69.86 -41.9 74.24 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.417 1.487 . . . . 0.0 114.386 -177.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.3 mp -99.92 -10.8 21.28 Favored 'General case' 0 C--N 1.348 0.539 0 O-C-N 121.017 -1.052 . . . . 0.0 111.873 -174.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 43.0 m170 . . . . . 0 CA--C 1.511 -0.53 0 O-C-N 121.05 -1.031 . . . . 0.0 108.821 177.463 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.498 -1.002 0 N-CA-C 110.418 -1.073 . . . . 0.0 110.418 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -59.88 -27.78 39.21 Favored 'Isoleucine or valine' 0 C--N 1.344 0.363 0 C-N-CA 126.256 1.822 . . . . 0.0 113.82 -175.645 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.93 -30.67 63.62 Favored Glycine 0 C--N 1.353 1.485 0 C-N-CA 124.983 1.278 . . . . 0.0 114.242 173.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.33 -4.46 86.9 Favored Glycine 0 C--N 1.351 1.372 0 CA-C-N 118.092 0.946 . . . . 0.0 113.51 177.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -99.73 -56.28 2.43 Favored 'General case' 0 N--CA 1.445 -0.688 0 O-C-N 121.161 -1.199 . . . . 0.0 109.879 167.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 35.9 pt -68.99 -41.58 81.83 Favored 'Isoleucine or valine' 0 C--N 1.351 0.673 0 N-CA-C 115.553 1.686 . . . . 0.0 115.553 -175.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 88.0 mt -77.9 -19.68 54.29 Favored 'General case' 0 C--N 1.353 0.726 0 O-C-N 119.41 -2.056 . . . . 0.0 111.62 -177.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.2 m -72.25 -14.14 61.7 Favored 'General case' 0 CA--C 1.512 -0.505 0 C-N-CA 125.264 1.425 . . . . 0.0 112.535 176.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.68 -47.78 1.6 Allowed Glycine 0 C--N 1.351 1.385 0 O-C-N 121.364 -0.835 . . . . 0.0 111.948 161.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -67.04 -48.56 67.97 Favored 'General case' 0 C--N 1.35 0.592 0 N-CA-C 115.453 1.649 . . . . 0.0 115.453 -172.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.4 mmtm -74.22 -36.86 63.96 Favored 'General case' 0 C--N 1.35 0.622 0 O-C-N 119.623 -1.923 . . . . 0.0 111.344 177.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.6 m -59.81 -43.54 94.44 Favored 'General case' 0 CA--C 1.511 -0.541 0 C-N-CA 124.719 1.208 . . . . 0.0 112.709 175.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.42 -47.6 78.53 Favored 'General case' 0 C--N 1.348 0.521 0 O-C-N 120.005 -1.684 . . . . 0.0 113.239 170.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 42.0 tp -63.12 -40.92 99.01 Favored 'General case' 0 C--N 1.349 0.586 0 N-CA-C 115.625 1.713 . . . . 0.0 115.625 -176.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -150.12 20.18 0.87 Allowed 'General case' 0 N--CA 1.451 -0.412 0 O-C-N 119.76 -1.837 . . . . 0.0 112.929 -172.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -103.79 -76.78 1.14 Allowed Glycine 0 C--N 1.347 1.187 0 N-CA-C 107.541 -2.224 . . . . 0.0 107.541 160.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.51 -41.56 85.71 Favored 'General case' 0 N--CA 1.45 -0.44 0 O-C-N 120.558 -1.554 . . . . 0.0 112.925 178.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.85 17.59 6.54 Favored 'General case' 0 N--CA 1.446 -0.656 0 O-C-N 120.61 -1.306 . . . . 0.0 112.955 173.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.492 ' HZ1' ' CD ' ' A' ' 20' ' ' GLU . 0.6 OUTLIER -96.22 -40.2 9.29 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 119.862 -1.774 . . . . 0.0 109.322 152.28 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.492 ' CD ' ' HZ1' ' A' ' 19' ' ' LYS . 8.9 mm-40 -68.91 -44.48 73.07 Favored 'General case' 0 C--N 1.348 0.523 0 O-C-N 120.752 -1.218 . . . . 0.0 113.846 179.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 45.5 tp -61.72 -32.09 72.29 Favored 'General case' 0 C--N 1.347 0.499 0 O-C-N 120.674 -1.266 . . . . 0.0 112.942 174.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.08 3.11 53.59 Favored 'General case' 0 N--CA 1.442 -0.833 0 O-C-N 120.709 -1.244 . . . . 0.0 112.519 -178.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 t -63.13 -37.66 88.09 Favored 'General case' 0 C--N 1.351 0.669 0 N-CA-C 114.955 1.465 . . . . 0.0 114.955 -164.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.2 m -93.51 3.21 55.91 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-O 121.898 0.856 . . . . 0.0 110.838 -175.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -124.26 -37.48 2.54 Favored 'General case' 0 C--N 1.348 0.532 0 O-C-N 120.759 -1.213 . . . . 0.0 111.198 -170.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -109.69 -0.31 18.62 Favored 'General case' 0 C--N 1.348 0.508 0 O-C-N 121.333 -0.854 . . . . 0.0 109.759 177.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 60.7 m-70 . . . . . 0 C--N 1.349 0.549 0 N-CA-C 115.966 1.839 . . . . 0.0 115.966 171.429 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.069 0 N-CA-C 110.433 -1.067 . . . . 0.0 110.433 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -59.79 -27.83 39.09 Favored 'Isoleucine or valine' 0 C--N 1.344 0.364 0 C-N-CA 126.262 1.825 . . . . 0.0 113.854 -175.69 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.99 -30.59 63.72 Favored Glycine 0 C--N 1.353 1.498 0 C-N-CA 124.941 1.258 . . . . 0.0 114.294 173.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.45 -4.51 87.27 Favored Glycine 0 C--N 1.351 1.383 0 CA-C-N 118.052 0.926 . . . . 0.0 113.512 177.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -99.55 -56.43 2.4 Favored 'General case' 0 N--CA 1.446 -0.649 0 O-C-N 121.157 -1.202 . . . . 0.0 109.8 167.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 36.0 pt -68.86 -41.55 82.17 Favored 'Isoleucine or valine' 0 C--N 1.352 0.694 0 N-CA-C 115.54 1.681 . . . . 0.0 115.54 -175.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 90.7 mt -78.25 -19.19 54.23 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 119.397 -2.064 . . . . 0.0 111.695 -177.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.0 m -72.44 -14.5 61.7 Favored 'General case' 0 CA--C 1.512 -0.496 0 C-N-CA 125.123 1.369 . . . . 0.0 112.537 176.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.5 -47.48 1.66 Allowed Glycine 0 C--N 1.351 1.385 0 O-C-N 121.337 -0.852 . . . . 0.0 111.921 161.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -66.78 -48.7 68.2 Favored 'General case' 0 C--N 1.351 0.645 0 N-CA-C 115.342 1.608 . . . . 0.0 115.342 -172.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.7 mmtm -72.93 -37.74 67.08 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 119.661 -1.899 . . . . 0.0 111.469 177.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.3 m -59.82 -43.51 94.51 Favored 'General case' 0 CA--C 1.512 -0.504 0 C-N-CA 124.911 1.284 . . . . 0.0 112.737 176.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.34 -48.45 72.97 Favored 'General case' 0 N--CA 1.449 -0.521 0 O-C-N 120.061 -1.649 . . . . 0.0 113.304 170.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.9 tp -63.53 -40.39 96.91 Favored 'General case' 0 C--N 1.35 0.598 0 N-CA-C 115.681 1.734 . . . . 0.0 115.681 -175.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -149.8 20.56 0.9 Allowed 'General case' 0 N--CA 1.449 -0.501 0 O-C-N 119.827 -1.795 . . . . 0.0 112.357 -172.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -103.25 -78.18 1.26 Allowed Glycine 0 C--N 1.347 1.181 0 N-CA-C 107.529 -2.228 . . . . 0.0 107.529 160.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.24 -42.47 91.18 Favored 'General case' 0 C--N 1.345 0.406 0 O-C-N 120.665 -1.491 . . . . 0.0 113.051 178.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.78 17.1 6.95 Favored 'General case' 0 N--CA 1.446 -0.659 0 O-C-N 120.74 -1.225 . . . . 0.0 112.482 173.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.501 ' HZ2' ' CD ' ' A' ' 20' ' ' GLU . 8.8 tttm -90.65 -54.6 3.91 Favored 'General case' 0 C--N 1.354 0.761 0 O-C-N 119.872 -1.768 . . . . 0.0 107.642 150.432 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.501 ' CD ' ' HZ2' ' A' ' 19' ' ' LYS . 13.5 mm-40 -60.47 -42.46 96.27 Favored 'General case' 0 C--N 1.351 0.645 0 N-CA-C 114.511 1.3 . . . . 0.0 114.511 -173.02 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.51 -17.39 62.34 Favored 'General case' 0 C--N 1.348 0.535 0 O-C-N 120.79 -1.193 . . . . 0.0 112.179 177.159 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -100.17 -9.23 22.72 Favored 'General case' 0 N--CA 1.445 -0.72 0 O-C-N 119.983 -1.698 . . . . 0.0 112.156 177.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.6 m -74.89 -15.3 60.71 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 120.198 -1.564 . . . . 0.0 112.815 -173.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.5 m -61.65 -36.52 81.04 Favored 'General case' 0 C--N 1.342 0.253 0 O-C-N 121.023 -1.048 . . . . 0.0 112.673 166.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -112.26 -33.92 6.07 Favored 'General case' 0 C--N 1.349 0.573 0 O-C-N 121.145 -0.972 . . . . 0.0 112.298 -168.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.1 mp -108.19 2.12 22.62 Favored 'General case' 0 C--N 1.348 0.505 0 C-N-CA 124.64 1.176 . . . . 0.0 110.333 -177.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 . . . . . 0 C--O 1.24 0.598 0 N-CA-C 115.572 1.693 . . . . 0.0 115.572 172.883 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.062 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -58.99 -29.12 40.44 Favored 'Isoleucine or valine' 0 C--N 1.345 0.399 0 C-N-CA 126.396 1.878 . . . . 0.0 113.98 -175.252 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.24 -31.68 66.29 Favored Glycine 0 C--N 1.353 1.503 0 C-N-CA 124.495 1.045 . . . . 0.0 114.389 173.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.23 -5.29 89.14 Favored Glycine 0 C--N 1.351 1.39 0 O-C-N 121.469 -1.018 . . . . 0.0 113.265 176.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.8 tmtm? -95.95 -54.53 3.29 Favored 'General case' 0 N--CA 1.445 -0.697 0 O-C-N 121.019 -1.283 . . . . 0.0 109.369 169.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 34.9 pt -73.24 -42.27 58.0 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 N-CA-C 115.515 1.672 . . . . 0.0 115.515 -175.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.0 mt -76.86 -20.2 56.59 Favored 'General case' 0 C--N 1.354 0.78 0 O-C-N 119.255 -2.153 . . . . 0.0 111.729 -175.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 42.8 m -71.34 -13.79 61.98 Favored 'General case' 0 CA--C 1.513 -0.472 0 C-N-CA 125.543 1.537 . . . . 0.0 112.65 175.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.36 -47.59 1.53 Allowed Glycine 0 C--N 1.352 1.439 0 O-C-N 121.276 -0.89 . . . . 0.0 111.898 161.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -66.93 -48.83 67.42 Favored 'General case' 0 C--N 1.35 0.597 0 N-CA-C 115.425 1.639 . . . . 0.0 115.425 -172.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.6 mmtm -72.99 -37.79 66.87 Favored 'General case' 0 C--N 1.351 0.639 0 O-C-N 119.666 -1.896 . . . . 0.0 111.302 177.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.1 m -59.63 -43.75 93.71 Favored 'General case' 0 CA--C 1.511 -0.543 0 C-N-CA 124.861 1.264 . . . . 0.0 112.752 176.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.81 -47.87 76.48 Favored 'General case' 0 N--CA 1.45 -0.466 0 O-C-N 120.092 -1.63 . . . . 0.0 113.228 170.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.0 tp -63.22 -41.46 99.13 Favored 'General case' 0 C--N 1.349 0.557 0 N-CA-C 115.567 1.692 . . . . 0.0 115.567 -175.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -150.31 21.41 0.84 Allowed 'General case' 0 N--CA 1.45 -0.452 0 O-C-N 119.796 -1.815 . . . . 0.0 112.784 -172.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -104.14 -77.14 1.15 Allowed Glycine 0 C--N 1.347 1.176 0 N-CA-C 107.623 -2.191 . . . . 0.0 107.623 160.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.96 -41.64 87.96 Favored 'General case' 0 N--CA 1.45 -0.448 0 O-C-N 120.713 -1.463 . . . . 0.0 113.009 178.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.8 17.72 6.34 Favored 'General case' 0 N--CA 1.447 -0.617 0 O-C-N 120.7 -1.25 . . . . 0.0 112.757 173.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.443 ' HZ3' ' CD ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -91.35 -52.15 4.94 Favored 'General case' 0 C--N 1.353 0.721 0 O-C-N 119.93 -1.731 . . . . 0.0 107.485 150.904 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.443 ' CD ' ' HZ3' ' A' ' 19' ' ' LYS . 9.0 mm-40 -62.43 -44.99 95.1 Favored 'General case' 0 C--N 1.35 0.617 0 N-CA-C 114.926 1.454 . . . . 0.0 114.926 -175.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.1 tt -61.48 -35.31 77.3 Favored 'General case' 0 C--N 1.348 0.533 0 O-C-N 120.891 -1.131 . . . . 0.0 113.088 176.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -98.46 3.64 48.31 Favored 'General case' 0 N--CA 1.442 -0.825 0 O-C-N 120.836 -1.165 . . . . 0.0 112.324 -176.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.3 t -62.73 -36.41 82.94 Favored 'General case' 0 C--N 1.351 0.647 0 N-CA-C 114.992 1.479 . . . . 0.0 114.992 -161.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.0 m -61.94 -40.46 95.61 Favored 'General case' 0 C--N 1.343 0.312 0 C-N-CA 125.251 1.42 . . . . 0.0 113.123 174.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -97.88 -13.45 21.24 Favored 'General case' 0 C--N 1.345 0.404 0 O-C-N 121.09 -1.006 . . . . 0.0 111.669 -166.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -115.74 31.57 6.63 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 125.906 1.683 . . . . 0.0 107.425 177.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 . . . . . 0 C--N 1.347 0.487 0 CA-C-O 122.212 1.006 . . . . 0.0 112.428 179.963 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.062 0 N-CA-C 110.325 -1.11 . . . . 0.0 110.325 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -64.34 -21.68 29.56 Favored 'Isoleucine or valine' 0 C--N 1.345 0.381 0 C-N-CA 125.539 1.536 . . . . 0.0 113.619 -174.669 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.31 -30.81 65.03 Favored Glycine 0 C--N 1.353 1.473 0 C-N-CA 124.98 1.276 . . . . 0.0 113.89 172.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.98 -4.21 85.59 Favored Glycine 0 C--N 1.35 1.346 0 O-C-N 121.65 -0.912 . . . . 0.0 113.499 177.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -100.63 -56.67 2.28 Favored 'General case' 0 N--CA 1.446 -0.636 0 O-C-N 121.146 -1.208 . . . . 0.0 109.871 167.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 33.4 pt -68.55 -40.94 82.66 Favored 'Isoleucine or valine' 0 C--N 1.352 0.704 0 N-CA-C 115.585 1.698 . . . . 0.0 115.585 -174.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 78.9 mt -79.02 -21.02 47.56 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 119.584 -1.948 . . . . 0.0 111.558 -178.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 43.0 m -72.0 -14.29 61.85 Favored 'General case' 0 CA--C 1.513 -0.45 0 C-N-CA 125.354 1.462 . . . . 0.0 112.28 175.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -93.6 -68.83 1.09 Allowed Glycine 0 C--N 1.347 1.183 0 N-CA-C 110.208 -1.157 . . . . 0.0 110.208 160.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -60.97 -45.02 96.44 Favored 'General case' 0 C--N 1.347 0.457 0 N-CA-C 115.79 1.774 . . . . 0.0 115.79 -167.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.6 mmtm -89.27 -18.39 27.1 Favored 'General case' 0 C--N 1.347 0.479 0 O-C-N 119.428 -2.045 . . . . 0.0 111.877 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 91.6 m -64.08 -45.13 90.05 Favored 'General case' 0 CA--C 1.512 -0.518 0 O-C-N 120.67 -1.269 . . . . 0.0 111.15 165.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.3 -48.64 72.44 Favored 'General case' 0 C--N 1.349 0.546 0 O-C-N 120.954 -1.091 . . . . 0.0 113.801 172.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 26.1 tp -77.01 -17.46 58.82 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 120.819 -1.175 . . . . 0.0 114.019 -173.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -118.03 -70.6 0.78 Allowed 'General case' 0 CA--C 1.507 -0.701 0 O-C-N 119.922 -1.736 . . . . 0.0 112.211 176.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -54.13 -61.09 7.52 Favored Glycine 0 C--N 1.35 1.342 0 CA-C-N 119.572 1.078 . . . . 0.0 115.72 -178.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.47 -40.91 98.2 Favored 'General case' 0 C--N 1.347 0.458 0 O-C-N 121.182 -1.187 . . . . 0.0 112.687 -179.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.65 -46.87 63.89 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 125.38 1.472 . . . . 0.0 114.287 167.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.455 ' HZ1' ' CD ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -62.72 -46.76 86.62 Favored 'General case' 0 C--N 1.354 0.782 0 O-C-N 120.03 -1.669 . . . . 0.0 112.394 174.169 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.455 ' CD ' ' HZ1' ' A' ' 19' ' ' LYS . 7.7 mm-40 -65.71 -35.75 81.63 Favored 'General case' 0 C--N 1.344 0.355 0 O-C-N 120.528 -1.357 . . . . 0.0 113.789 -177.295 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.21 -5.65 59.15 Favored 'General case' 0 N--CA 1.45 -0.444 0 O-C-N 120.929 -1.107 . . . . 0.0 112.807 179.206 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -136.73 9.29 3.09 Favored 'General case' 0 C--N 1.353 0.749 0 O-C-N 119.822 -1.799 . . . . 0.0 115.228 -176.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 p -70.09 -24.84 63.29 Favored 'General case' 0 C--N 1.351 0.659 0 O-C-N 119.535 -1.978 . . . . 0.0 112.047 168.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.0 m -59.44 -32.81 70.56 Favored 'General case' 0 CA--C 1.517 -0.302 0 C-N-CA 126.008 1.723 . . . . 0.0 112.908 171.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -112.36 -39.01 4.52 Favored 'General case' 0 C--N 1.349 0.545 0 O-C-N 121.468 -0.77 . . . . 0.0 112.052 -169.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -103.19 -1.8 28.35 Favored 'General case' 0 C--N 1.349 0.582 0 O-C-N 120.601 -1.312 . . . . 0.0 111.822 -176.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 30.4 m170 . . . . . 0 CA--C 1.51 -0.583 0 O-C-N 120.43 -1.419 . . . . 0.0 110.327 176.815 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.05 0 N-CA-C 110.315 -1.114 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.5 tt -59.17 -37.38 68.17 Favored 'Isoleucine or valine' 0 C--N 1.346 0.44 0 C-N-CA 125.332 1.453 . . . . 0.0 113.456 -176.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.61 -29.99 61.75 Favored Glycine 0 C--N 1.355 1.625 0 C-N-CA 125.227 1.394 . . . . 0.0 114.032 175.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.34 -1.27 74.81 Favored Glycine 0 C--N 1.348 1.228 0 C-N-CA 125.009 1.29 . . . . 0.0 114.153 -178.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.36 -29.62 2.69 Favored 'General case' 0 C--N 1.346 0.447 0 O-C-N 121.193 -1.181 . . . . 0.0 112.516 168.202 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 29.4 pt -72.35 -42.84 65.24 Favored 'Isoleucine or valine' 0 C--N 1.356 0.873 0 O-C-N 119.505 -1.997 . . . . 0.0 113.785 173.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 84.9 mt -77.52 -22.98 50.32 Favored 'General case' 0 C--N 1.354 0.795 0 O-C-N 119.658 -1.902 . . . . 0.0 111.492 -178.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.0 m -71.4 -14.53 62.2 Favored 'General case' 0 CA--C 1.51 -0.56 0 C-N-CA 125.807 1.643 . . . . 0.0 113.168 178.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.71 -49.3 1.29 Allowed Glycine 0 C--N 1.35 1.349 0 O-C-N 121.354 -0.841 . . . . 0.0 111.587 160.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -66.0 -45.26 82.21 Favored 'General case' 0 C--N 1.349 0.563 0 N-CA-C 115.435 1.643 . . . . 0.0 115.435 -170.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.8 mmtm -91.58 -20.1 22.03 Favored 'General case' 0 C--N 1.347 0.461 0 O-C-N 119.491 -2.005 . . . . 0.0 111.294 -179.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 51.9 m -63.81 -45.3 90.25 Favored 'General case' 0 CA--C 1.51 -0.568 0 O-C-N 121.257 -0.902 . . . . 0.0 111.604 167.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.29 -47.07 77.92 Favored 'General case' 0 C--N 1.349 0.581 0 O-C-N 120.878 -1.139 . . . . 0.0 113.592 172.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 24.6 tp -71.92 -26.17 62.2 Favored 'General case' 0 C--N 1.35 0.596 0 N-CA-C 114.746 1.388 . . . . 0.0 114.746 -174.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.21 -70.52 0.79 Allowed 'General case' 0 CA--C 1.51 -0.596 0 O-C-N 120.331 -1.481 . . . . 0.0 111.925 177.394 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -50.77 -58.97 8.47 Favored Glycine 0 C--N 1.351 1.387 0 N-CA-C 116.492 1.357 . . . . 0.0 116.492 -175.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.17 -40.47 97.62 Favored 'General case' 0 C--N 1.345 0.396 0 O-C-N 121.028 -1.278 . . . . 0.0 112.797 178.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.57 -39.45 88.05 Favored 'General case' 0 N--CA 1.446 -0.673 0 N-CA-C 113.949 1.092 . . . . 0.0 113.949 173.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.484 ' HZ1' ' CD ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -63.37 -44.29 95.2 Favored 'General case' 0 C--N 1.354 0.776 0 O-C-N 120.318 -1.489 . . . . 0.0 111.967 173.72 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.484 ' CD ' ' HZ1' ' A' ' 19' ' ' LYS . 8.9 mm-40 -69.43 -43.24 73.76 Favored 'General case' 0 C--N 1.345 0.38 0 O-C-N 120.758 -1.214 . . . . 0.0 113.004 179.16 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.2 tt -62.24 -43.02 99.77 Favored 'General case' 0 C--N 1.348 0.532 0 O-C-N 120.941 -1.099 . . . . 0.0 113.517 175.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.51 13.85 28.51 Favored 'General case' 0 N--CA 1.445 -0.69 0 O-C-N 120.405 -1.434 . . . . 0.0 112.559 -176.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.7 t -60.13 -39.57 86.72 Favored 'General case' 0 C--N 1.352 0.685 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 -167.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.4 m -75.06 -18.34 60.32 Favored 'General case' 0 C--N 1.341 0.226 0 C-N-CA 124.061 0.944 . . . . 0.0 112.544 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -112.51 -39.15 4.44 Favored 'General case' 0 C--N 1.346 0.415 0 O-C-N 120.967 -1.083 . . . . 0.0 112.431 -164.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -110.0 15.43 22.55 Favored 'General case' 0 C--N 1.346 0.44 0 O-C-N 120.896 -1.128 . . . . 0.0 110.934 -172.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 84.6 t60 . . . . . 0 C--N 1.346 0.454 0 O-C-N 120.219 -1.551 . . . . 0.0 111.198 175.288 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.498 -1.009 0 N-CA-C 110.345 -1.102 . . . . 0.0 110.345 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.4 tt -57.94 -38.57 67.27 Favored 'Isoleucine or valine' 0 C--N 1.346 0.436 0 C-N-CA 125.744 1.618 . . . . 0.0 113.298 -174.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -46.48 -44.25 15.93 Favored Glycine 0 C--N 1.354 1.573 0 C-N-CA 126.203 1.859 . . . . 0.0 114.74 172.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.6 -4.65 85.21 Favored Glycine 0 C--N 1.347 1.186 0 O-C-N 121.747 -0.854 . . . . 0.0 114.56 -176.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.78 -5.69 10.15 Favored 'General case' 0 N--CA 1.45 -0.457 0 O-C-N 120.828 -1.395 . . . . 0.0 113.239 170.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 32.4 pt -90.11 -52.22 10.9 Favored 'Isoleucine or valine' 0 C--N 1.354 0.763 0 O-C-N 120.397 -1.439 . . . . 0.0 113.006 162.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 96.6 mt -66.66 -32.71 74.2 Favored 'General case' 0 C--N 1.355 0.81 0 O-C-N 120.2 -1.563 . . . . 0.0 113.009 -170.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.8 m -63.54 -15.58 58.37 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 126.56 1.944 . . . . 0.0 114.375 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.61 -49.21 0.98 Allowed Glycine 0 C--N 1.352 1.465 0 O-C-N 121.333 -0.854 . . . . 0.0 111.763 158.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -63.09 -32.87 74.34 Favored 'General case' 0 C--N 1.348 0.517 0 C-N-CA 126.142 1.777 . . . . 0.0 115.591 -167.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.7 mmtm -114.86 -14.89 11.9 Favored 'General case' 0 C--N 1.346 0.418 0 O-C-N 119.27 -2.144 . . . . 0.0 113.181 173.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 60.6 m -61.88 -42.14 98.7 Favored 'General case' 0 CA--C 1.51 -0.57 0 O-C-N 120.576 -1.328 . . . . 0.0 111.634 167.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.05 -19.39 65.67 Favored 'General case' 0 C--N 1.35 0.602 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 178.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.8 tp -112.29 -8.15 13.96 Favored 'General case' 0 C--N 1.35 0.608 0 O-C-N 120.74 -1.225 . . . . 0.0 111.737 -173.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.1 tptm -118.41 -70.83 0.77 Allowed 'General case' 0 C--N 1.348 0.51 0 O-C-N 120.109 -1.62 . . . . 0.0 110.879 172.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.76 -61.52 7.36 Favored Glycine 0 C--N 1.355 1.609 0 C-N-CA 123.77 0.7 . . . . 0.0 114.312 -178.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.35 -36.62 84.31 Favored 'General case' 0 C--N 1.347 0.489 0 CA-C-O 122.336 1.065 . . . . 0.0 112.623 -178.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.56 -44.71 96.53 Favored 'General case' 0 N--CA 1.446 -0.66 0 O-C-N 120.435 -1.416 . . . . 0.0 114.073 176.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.71 -17.45 41.29 Favored 'General case' 0 C--N 1.353 0.721 0 O-C-N 120.191 -1.568 . . . . 0.0 112.396 176.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -70.39 -50.47 38.37 Favored 'General case' 0 N--CA 1.452 -0.341 0 O-C-N 120.329 -1.482 . . . . 0.0 112.191 169.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.1 tt -68.39 -45.74 71.87 Favored 'General case' 0 C--N 1.349 0.553 0 O-C-N 120.792 -1.192 . . . . 0.0 113.255 176.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.65 28.26 3.49 Favored 'General case' 0 N--CA 1.448 -0.571 0 O-C-N 119.988 -1.695 . . . . 0.0 111.49 -175.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.3 t -58.03 -45.9 86.21 Favored 'General case' 0 C--N 1.35 0.605 0 N-CA-C 115.779 1.77 . . . . 0.0 115.779 -165.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.6 m -65.21 -43.49 91.36 Favored 'General case' 0 CA--C 1.514 -0.436 0 C-N-CA 125.234 1.414 . . . . 0.0 112.888 176.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -69.54 -40.68 76.72 Favored 'General case' 0 C--N 1.344 0.363 0 C-N-CA 124.529 1.131 . . . . 0.0 113.452 -176.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.4 mp -98.11 8.47 44.74 Favored 'General case' 0 C--N 1.345 0.408 0 O-C-N 121.331 -0.855 . . . . 0.0 111.406 -175.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 . . . . . 0 C--N 1.35 0.623 0 N-CA-C 116.597 2.073 . . . . 0.0 116.597 172.542 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.498 -1.018 0 N-CA-C 110.375 -1.09 . . . . 0.0 110.375 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.1 tt -58.56 -36.26 58.75 Favored 'Isoleucine or valine' 0 C--N 1.346 0.42 0 C-N-CA 125.784 1.634 . . . . 0.0 113.642 -174.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -59.42 -31.47 70.29 Favored Glycine 0 C--N 1.353 1.511 0 O-C-N 120.718 -1.239 . . . . 0.0 114.3 175.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.63 -4.58 89.35 Favored Glycine 0 C--N 1.35 1.312 0 O-C-N 121.697 -0.884 . . . . 0.0 113.35 177.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -98.05 -55.7 2.7 Favored 'General case' 0 N--CA 1.445 -0.696 0 O-C-N 121.102 -1.234 . . . . 0.0 109.725 168.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 28.6 pt -70.75 -42.18 77.59 Favored 'Isoleucine or valine' 0 C--N 1.351 0.66 0 N-CA-C 115.384 1.624 . . . . 0.0 115.384 -174.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 87.9 mt -77.4 -20.63 54.37 Favored 'General case' 0 C--N 1.354 0.785 0 O-C-N 119.345 -2.097 . . . . 0.0 111.659 -176.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.4 m -71.91 -14.3 61.89 Favored 'General case' 0 CA--C 1.512 -0.503 0 C-N-CA 125.421 1.488 . . . . 0.0 112.671 176.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.97 -47.87 1.54 Allowed Glycine 0 C--N 1.35 1.361 0 O-C-N 121.324 -0.86 . . . . 0.0 111.908 161.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -66.86 -48.7 68.01 Favored 'General case' 0 C--N 1.35 0.599 0 N-CA-C 115.388 1.625 . . . . 0.0 115.388 -171.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm -74.68 -36.79 62.78 Favored 'General case' 0 C--N 1.35 0.592 0 O-C-N 119.673 -1.892 . . . . 0.0 111.396 177.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.8 m -59.85 -43.55 94.59 Favored 'General case' 0 CA--C 1.511 -0.555 0 C-N-CA 124.701 1.201 . . . . 0.0 112.709 175.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.79 -48.28 75.03 Favored 'General case' 0 C--N 1.347 0.487 0 O-C-N 120.08 -1.638 . . . . 0.0 113.191 170.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 46.2 tp -62.91 -41.81 99.57 Favored 'General case' 0 C--N 1.349 0.571 0 N-CA-C 115.517 1.673 . . . . 0.0 115.517 -175.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -146.3 17.69 1.36 Allowed 'General case' 0 N--CA 1.45 -0.467 0 O-C-N 120.008 -1.682 . . . . 0.0 113.862 -174.097 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -100.81 -78.82 1.38 Allowed Glycine 0 C--N 1.346 1.1 0 N-CA-C 107.344 -2.302 . . . . 0.0 107.344 159.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.76 -41.84 87.48 Favored 'General case' 0 N--CA 1.451 -0.421 0 O-C-N 120.989 -1.301 . . . . 0.0 113.595 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.15 12.96 16.34 Favored 'General case' 0 N--CA 1.447 -0.582 0 O-C-N 120.456 -1.403 . . . . 0.0 112.505 174.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.66 -50.4 6.28 Favored 'General case' 0 C--N 1.353 0.757 0 O-C-N 119.546 -1.971 . . . . 0.0 107.849 150.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -59.83 -44.77 93.89 Favored 'General case' 0 C--N 1.355 0.826 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 -176.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 43.6 tp -60.89 -32.7 72.14 Favored 'General case' 0 C--N 1.347 0.485 0 O-C-N 120.853 -1.155 . . . . 0.0 113.603 175.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -98.46 2.08 47.36 Favored 'General case' 0 N--CA 1.445 -0.723 0 O-C-N 120.667 -1.271 . . . . 0.0 112.125 -177.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 t -65.02 -33.91 77.16 Favored 'General case' 0 CA--C 1.509 -0.633 0 N-CA-C 114.835 1.42 . . . . 0.0 114.835 -162.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.3 m -94.54 2.47 55.68 Favored 'General case' 0 C--N 1.342 0.271 0 CA-C-O 121.873 0.844 . . . . 0.0 110.771 -176.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -124.3 -37.64 2.52 Favored 'General case' 0 C--N 1.348 0.514 0 O-C-N 120.723 -1.235 . . . . 0.0 111.201 -170.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -109.14 0.32 19.74 Favored 'General case' 0 C--N 1.347 0.48 0 C-N-CA 123.918 0.887 . . . . 0.0 109.583 177.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 62.3 m-70 . . . . . 0 C--N 1.349 0.553 0 N-CA-C 116.094 1.887 . . . . 0.0 116.094 171.514 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.498 -1.002 0 N-CA-C 110.356 -1.097 . . . . 0.0 110.356 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.1 tt -58.58 -36.48 59.87 Favored 'Isoleucine or valine' 0 C--N 1.346 0.418 0 C-N-CA 125.788 1.635 . . . . 0.0 113.728 -174.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -59.39 -31.72 70.82 Favored Glycine 0 C--N 1.353 1.514 0 O-C-N 120.737 -1.227 . . . . 0.0 114.386 175.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.75 -4.84 89.53 Favored Glycine 0 C--N 1.35 1.308 0 O-C-N 121.69 -0.888 . . . . 0.0 113.341 177.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -97.43 -54.91 2.99 Favored 'General case' 0 N--CA 1.445 -0.718 0 O-C-N 121.102 -1.234 . . . . 0.0 109.835 168.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 28.4 pt -71.49 -42.84 72.7 Favored 'Isoleucine or valine' 0 C--N 1.352 0.684 0 N-CA-C 115.434 1.642 . . . . 0.0 115.434 -174.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 87.4 mt -76.31 -20.52 57.21 Favored 'General case' 0 C--N 1.354 0.778 0 O-C-N 119.406 -2.058 . . . . 0.0 111.61 -176.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.0 m -70.89 -13.53 62.06 Favored 'General case' 0 CA--C 1.513 -0.473 0 C-N-CA 126.133 1.773 . . . . 0.0 112.928 176.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.55 -48.78 1.16 Allowed Glycine 0 C--N 1.351 1.391 0 O-C-N 121.328 -0.858 . . . . 0.0 111.92 158.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -64.33 -40.82 96.66 Favored 'General case' 0 C--N 1.349 0.557 0 N-CA-C 115.568 1.692 . . . . 0.0 115.568 -169.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.9 mmtm -101.34 -18.73 15.93 Favored 'General case' 0 C--N 1.346 0.429 0 O-C-N 119.53 -1.981 . . . . 0.0 111.789 178.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 49.9 m -63.08 -38.18 90.17 Favored 'General case' 0 CA--C 1.511 -0.527 0 C-N-CA 124.202 1.001 . . . . 0.0 112.054 166.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.11 -44.52 94.79 Favored 'General case' 0 N--CA 1.448 -0.555 0 O-C-N 119.934 -1.729 . . . . 0.0 113.323 171.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.2 tp -76.28 -50.01 15.5 Favored 'General case' 0 C--N 1.348 0.524 0 N-CA-C 115.456 1.65 . . . . 0.0 115.456 -179.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.492 ' HZ2' ' HB3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -109.06 3.62 22.24 Favored 'General case' 0 C--N 1.35 0.618 0 O-C-N 120.17 -1.581 . . . . 0.0 111.149 -170.879 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -104.59 -83.96 1.73 Allowed Glycine 0 CA--C 1.496 -1.135 0 N-CA-C 107.948 -2.061 . . . . 0.0 107.948 162.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.43 -51.79 66.14 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 116.12 1.896 . . . . 0.0 116.12 -170.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.39 -49.21 64.85 Favored 'General case' 0 C--N 1.35 0.597 0 N-CA-C 115.441 1.645 . . . . 0.0 115.441 -172.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.492 ' HB3' ' HZ2' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -68.16 -41.03 82.14 Favored 'General case' 0 C--N 1.351 0.652 0 O-C-N 120.54 -1.35 . . . . 0.0 113.01 179.444 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -74.36 -36.98 63.61 Favored 'General case' 0 C--N 1.347 0.476 0 O-C-N 120.252 -1.53 . . . . 0.0 113.345 -178.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 47.8 tp -62.76 -39.57 94.57 Favored 'General case' 0 C--N 1.353 0.748 0 O-C-N 120.215 -1.553 . . . . 0.0 112.977 170.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.96 18.33 6.79 Favored 'General case' 0 N--CA 1.445 -0.71 0 O-C-N 120.385 -1.447 . . . . 0.0 112.607 179.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.9 t -70.88 -17.38 62.72 Favored 'General case' 0 C--N 1.352 0.687 0 O-C-N 119.988 -1.695 . . . . 0.0 114.479 -169.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.9 m -72.66 -20.08 61.32 Favored 'General case' 0 C--N 1.342 0.28 0 O-C-N 121.168 -0.958 . . . . 0.0 111.807 173.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -116.81 -36.19 3.94 Favored 'General case' 0 C--N 1.349 0.562 0 O-C-N 120.993 -1.067 . . . . 0.0 110.969 -170.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -106.48 3.36 27.12 Favored 'General case' 0 C--N 1.348 0.533 0 C-N-CA 124.024 0.929 . . . . 0.0 110.842 -177.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 . . . . . 0 C--N 1.348 0.539 0 N-CA-C 116.645 2.091 . . . . 0.0 116.645 170.582 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.498 -1.015 0 N-CA-C 110.379 -1.089 . . . . 0.0 110.379 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.5 tt -59.03 -37.53 68.37 Favored 'Isoleucine or valine' 0 C--N 1.346 0.414 0 C-N-CA 125.504 1.521 . . . . 0.0 113.492 -175.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.55 -30.13 61.75 Favored Glycine 0 C--N 1.353 1.526 0 C-N-CA 125.252 1.406 . . . . 0.0 114.099 176.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.41 -1.21 75.06 Favored Glycine 0 C--N 1.349 1.293 0 C-N-CA 124.799 1.19 . . . . 0.0 114.117 -178.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.01 -28.51 2.64 Favored 'General case' 0 N--CA 1.449 -0.491 0 O-C-N 121.009 -1.289 . . . . 0.0 112.64 168.596 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 30.2 pt -72.83 -43.24 60.64 Favored 'Isoleucine or valine' 0 C--N 1.356 0.871 0 O-C-N 119.534 -1.979 . . . . 0.0 113.799 172.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 86.6 mt -75.95 -21.19 57.27 Favored 'General case' 0 C--N 1.355 0.835 0 O-C-N 119.55 -1.969 . . . . 0.0 111.466 -178.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.8 m -69.69 -14.09 62.63 Favored 'General case' 0 CA--C 1.514 -0.438 0 C-N-CA 126.487 1.915 . . . . 0.0 113.206 177.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.43 -48.87 1.08 Allowed Glycine 0 C--N 1.352 1.417 0 O-C-N 121.324 -0.86 . . . . 0.0 112.016 157.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -64.12 -34.28 77.68 Favored 'General case' 0 C--N 1.348 0.538 0 N-CA-C 115.554 1.687 . . . . 0.0 115.554 -168.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.2 mmtm -109.15 -18.52 13.61 Favored 'General case' 0 C--N 1.345 0.405 0 O-C-N 118.95 -2.343 . . . . 0.0 112.802 174.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 45.8 m -61.98 -39.14 91.16 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-N 119.515 1.052 . . . . 0.0 112.087 167.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.43 -37.28 70.02 Favored 'General case' 0 C--N 1.348 0.503 0 O-C-N 120.062 -1.649 . . . . 0.0 113.339 173.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 50.1 tp -77.76 -48.2 17.19 Favored 'General case' 0 C--N 1.347 0.466 0 N-CA-C 114.651 1.352 . . . . 0.0 114.651 174.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.528 ' HZ3' ' CD ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -117.39 4.63 12.52 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 120.906 -1.121 . . . . 0.0 113.891 -164.258 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -115.4 -19.65 5.75 Favored Glycine 0 C--N 1.34 0.757 0 O-C-N 119.732 -1.855 . . . . 0.0 111.66 164.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -117.83 -75.55 0.58 Allowed 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 123.623 0.769 . . . . 0.0 111.715 -177.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.72 -45.85 90.9 Favored 'General case' 0 C--N 1.352 0.675 0 N-CA-C 117.004 2.224 . . . . 0.0 117.004 -166.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.77 -37.33 86.05 Favored 'General case' 0 C--N 1.352 0.703 0 O-C-N 120.073 -1.642 . . . . 0.0 112.797 175.336 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.528 ' CD ' ' HZ3' ' A' ' 15' ' ' LYS . 3.6 mp0 -69.53 -41.89 75.36 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 125.498 1.519 . . . . 0.0 112.507 178.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 50.9 tp -61.24 -40.18 93.06 Favored 'General case' 0 C--N 1.346 0.415 0 C-N-CA 125.295 1.438 . . . . 0.0 113.01 171.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.0 4.16 52.8 Favored 'General case' 0 N--CA 1.446 -0.645 0 O-C-N 120.519 -1.363 . . . . 0.0 112.768 -179.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 t -61.86 -37.35 84.18 Favored 'General case' 0 C--N 1.352 0.706 0 C-N-CA 124.713 1.205 . . . . 0.0 113.683 -170.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.8 m -59.83 -37.49 79.35 Favored 'General case' 0 CA--C 1.516 -0.352 0 C-N-CA 125.541 1.537 . . . . 0.0 113.002 175.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -102.84 -27.16 12.83 Favored 'General case' 0 C--N 1.346 0.44 0 O-C-N 121.374 -0.829 . . . . 0.0 112.594 -167.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.0 mp -109.68 -11.13 14.78 Favored 'General case' 0 C--N 1.347 0.496 0 O-C-N 121.061 -1.025 . . . . 0.0 111.545 -177.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 35.3 m80 . . . . . 0 CA--C 1.511 -0.55 0 O-C-N 120.521 -1.362 . . . . 0.0 111.109 -171.636 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.087 0 N-CA-C 110.411 -1.076 . . . . 0.0 110.411 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.0 tt -57.99 -38.53 67.38 Favored 'Isoleucine or valine' 0 C--N 1.345 0.383 0 C-N-CA 125.895 1.678 . . . . 0.0 113.72 -173.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -59.76 -30.79 69.93 Favored Glycine 0 C--N 1.353 1.506 0 O-C-N 120.6 -1.313 . . . . 0.0 114.206 176.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.3 -5.42 85.46 Favored Glycine 0 C--N 1.348 1.249 0 O-C-N 121.28 -1.13 . . . . 0.0 113.798 -177.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.63 15.1 13.64 Favored 'General case' 0 N--CA 1.449 -0.512 0 O-C-N 121.093 -1.24 . . . . 0.0 112.168 172.25 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 22.3 pt -128.62 -41.56 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.83 0 O-C-N 121.185 -0.947 . . . . 0.0 112.456 166.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 94.7 mt -66.58 -33.49 75.78 Favored 'General case' 0 C--N 1.354 0.78 0 O-C-N 119.588 -1.945 . . . . 0.0 111.92 -179.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.3 m -63.32 -11.83 25.1 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 127.648 2.379 . . . . 0.0 114.59 175.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.69 -49.2 0.97 Allowed Glycine 0 C--N 1.352 1.422 0 O-C-N 121.179 -0.951 . . . . 0.0 111.616 159.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -62.62 -39.25 93.22 Favored 'General case' 0 C--N 1.348 0.531 0 N-CA-C 115.624 1.713 . . . . 0.0 115.624 -169.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.2 mmtm -105.71 -15.84 14.85 Favored 'General case' 0 C--N 1.347 0.473 0 O-C-N 119.617 -1.927 . . . . 0.0 112.32 176.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 57.5 m -63.23 -39.64 95.18 Favored 'General case' 0 CA--C 1.511 -0.554 0 O-C-N 121.105 -0.997 . . . . 0.0 111.676 166.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.85 -41.1 77.31 Favored 'General case' 0 C--N 1.348 0.509 0 O-C-N 120.236 -1.54 . . . . 0.0 113.161 173.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 48.9 tp -73.52 -49.85 24.47 Favored 'General case' 0 C--N 1.346 0.448 0 N-CA-C 114.948 1.462 . . . . 0.0 114.948 173.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.4 -3.51 16.08 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 120.256 -1.527 . . . . 0.0 113.685 -164.276 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -114.0 -19.98 6.18 Favored Glycine 0 CA--C 1.5 -0.851 0 O-C-N 119.885 -1.759 . . . . 0.0 111.885 171.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -115.1 -75.76 0.58 Allowed 'General case' 0 N--CA 1.445 -0.711 0 O-C-N 121.901 -0.764 . . . . 0.0 111.049 177.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.55 -44.77 89.77 Favored 'General case' 0 C--N 1.351 0.652 0 N-CA-C 116.743 2.127 . . . . 0.0 116.743 -164.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? -62.94 -43.66 98.19 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 120.442 -1.411 . . . . 0.0 112.907 174.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -70.94 -36.76 72.73 Favored 'General case' 0 C--N 1.346 0.419 0 O-C-N 120.922 -1.111 . . . . 0.0 112.83 -178.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.2 tt -60.42 -40.84 92.47 Favored 'General case' 0 C--N 1.347 0.474 0 C-N-CA 124.992 1.317 . . . . 0.0 112.538 170.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -92.68 12.82 22.0 Favored 'General case' 0 N--CA 1.446 -0.652 0 O-C-N 120.57 -1.331 . . . . 0.0 112.762 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.0 t -60.64 -31.88 71.07 Favored 'General case' 0 C--N 1.353 0.727 0 O-C-N 120.491 -1.381 . . . . 0.0 114.562 -170.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.3 m -58.22 -38.92 77.74 Favored 'General case' 0 C--N 1.342 0.281 0 C-N-CA 124.737 1.215 . . . . 0.0 113.006 174.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -105.21 -21.95 13.16 Favored 'General case' 0 C--N 1.347 0.481 0 O-C-N 121.16 -0.963 . . . . 0.0 112.423 -171.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -112.5 7.81 19.12 Favored 'General case' 0 C--N 1.349 0.551 0 O-C-N 120.894 -1.129 . . . . 0.0 110.901 -176.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.9 t-160 . . . . . 0 CA--C 1.512 -0.491 0 O-C-N 120.332 -1.48 . . . . 0.0 109.806 178.944 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.055 0 N-CA-C 110.39 -1.084 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.9 tt -58.78 -36.77 62.48 Favored 'Isoleucine or valine' 0 C--N 1.346 0.449 0 C-N-CA 125.634 1.574 . . . . 0.0 113.619 -174.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.15 -31.47 62.04 Favored Glycine 0 C--N 1.353 1.528 0 O-C-N 120.667 -1.271 . . . . 0.0 114.051 175.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.45 -2.3 84.08 Favored Glycine 0 C--N 1.349 1.272 0 C-N-CA 124.694 1.14 . . . . 0.0 114.21 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.54 -20.95 4.99 Favored 'General case' 0 C--N 1.348 0.509 0 O-C-N 120.904 -1.351 . . . . 0.0 112.906 170.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 27.8 pt -84.73 -44.07 17.42 Favored 'Isoleucine or valine' 0 C--N 1.355 0.829 0 O-C-N 120.197 -1.564 . . . . 0.0 113.203 171.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 87.2 mt -76.17 -22.19 55.67 Favored 'General case' 0 C--N 1.355 0.829 0 O-C-N 119.413 -2.055 . . . . 0.0 111.545 -176.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.7 m -69.71 -12.88 61.98 Favored 'General case' 0 CA--C 1.514 -0.442 0 C-N-CA 126.495 1.918 . . . . 0.0 113.247 175.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.58 -48.44 1.19 Allowed Glycine 0 C--N 1.352 1.42 0 O-C-N 121.405 -0.809 . . . . 0.0 111.576 159.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.4 tt -63.75 -42.75 97.8 Favored 'General case' 0 C--N 1.348 0.509 0 N-CA-C 115.783 1.771 . . . . 0.0 115.783 -170.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.4 mmtm -99.27 -19.4 17.1 Favored 'General case' 0 C--N 1.346 0.44 0 O-C-N 119.704 -1.873 . . . . 0.0 111.446 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.4 m -63.38 -39.35 94.28 Favored 'General case' 0 CA--C 1.51 -0.563 0 C-N-CA 124.165 0.986 . . . . 0.0 111.975 166.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.01 -45.78 93.42 Favored 'General case' 0 N--CA 1.448 -0.527 0 O-C-N 119.942 -1.723 . . . . 0.0 113.197 171.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.8 tp -73.17 -49.44 28.13 Favored 'General case' 0 C--N 1.348 0.502 0 N-CA-C 115.921 1.823 . . . . 0.0 115.921 -178.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.486 ' HZ2' ' HB3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -113.18 4.39 16.51 Favored 'General case' 0 C--N 1.35 0.619 0 O-C-N 120.07 -1.643 . . . . 0.0 111.222 -171.169 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -102.89 -81.43 1.54 Allowed Glycine 0 CA--C 1.495 -1.167 0 N-CA-C 107.909 -2.076 . . . . 0.0 107.909 163.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.73 -52.47 56.85 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 116.225 1.935 . . . . 0.0 116.225 -172.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.09 -48.85 66.94 Favored 'General case' 0 C--N 1.35 0.622 0 N-CA-C 116.044 1.868 . . . . 0.0 116.044 -168.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.486 ' HB3' ' HZ2' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -67.69 -40.0 84.4 Favored 'General case' 0 C--N 1.35 0.615 0 O-C-N 120.464 -1.397 . . . . 0.0 112.888 179.651 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.3 mp0 -74.26 -37.2 63.82 Favored 'General case' 0 C--N 1.346 0.438 0 O-C-N 120.395 -1.441 . . . . 0.0 113.049 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.2 tt -63.37 -41.54 98.82 Favored 'General case' 0 C--N 1.353 0.731 0 O-C-N 120.086 -1.634 . . . . 0.0 112.893 170.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.6 18.11 6.72 Favored 'General case' 0 N--CA 1.447 -0.581 0 O-C-N 120.346 -1.471 . . . . 0.0 112.392 -179.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.4 t -68.97 -16.13 63.66 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 120.382 -1.449 . . . . 0.0 114.268 -169.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.6 m -59.85 -36.59 77.18 Favored 'General case' 0 C--N 1.342 0.27 0 C-N-CA 124.551 1.14 . . . . 0.0 112.831 170.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -123.33 -27.09 4.16 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 121.19 -0.944 . . . . 0.0 112.908 -171.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -107.87 18.36 21.39 Favored 'General case' 0 C--N 1.347 0.493 0 O-C-N 120.229 -1.544 . . . . 0.0 111.189 -172.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 60.9 t60 . . . . . 0 C--N 1.347 0.48 0 O-C-N 119.891 -1.756 . . . . 0.0 112.254 177.828 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.043 0 N-CA-C 110.282 -1.127 . . . . 0.0 110.282 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.5 tt -59.05 -37.27 66.89 Favored 'Isoleucine or valine' 0 C--N 1.346 0.421 0 C-N-CA 125.565 1.546 . . . . 0.0 113.471 -175.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.49 -30.0 61.41 Favored Glycine 0 C--N 1.354 1.576 0 C-N-CA 125.306 1.431 . . . . 0.0 114.105 176.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.47 -1.51 76.51 Favored Glycine 0 C--N 1.349 1.299 0 C-N-CA 124.784 1.183 . . . . 0.0 114.13 -178.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.35 -29.61 2.7 Favored 'General case' 0 C--N 1.348 0.51 0 O-C-N 121.114 -1.227 . . . . 0.0 112.494 168.621 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 29.3 pt -72.01 -42.66 68.19 Favored 'Isoleucine or valine' 0 C--N 1.356 0.884 0 O-C-N 119.539 -1.976 . . . . 0.0 113.736 173.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 86.6 mt -77.18 -22.97 51.6 Favored 'General case' 0 C--N 1.354 0.78 0 O-C-N 119.61 -1.931 . . . . 0.0 111.659 -179.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.8 m -71.67 -15.37 62.22 Favored 'General case' 0 CA--C 1.512 -0.491 0 C-N-CA 125.653 1.581 . . . . 0.0 112.92 178.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.51 -47.11 1.71 Allowed Glycine 0 C--N 1.35 1.344 0 O-C-N 121.352 -0.843 . . . . 0.0 111.587 161.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.9 tt -65.98 -46.66 77.24 Favored 'General case' 0 C--N 1.348 0.528 0 N-CA-C 115.685 1.735 . . . . 0.0 115.685 -172.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.6 mmtm -83.05 -25.99 31.58 Favored 'General case' 0 C--N 1.348 0.516 0 O-C-N 119.607 -1.933 . . . . 0.0 111.556 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 32.8 m -62.88 -45.42 92.65 Favored 'General case' 0 CA--C 1.511 -0.529 0 C-N-CA 124.039 0.936 . . . . 0.0 111.808 170.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.86 -45.78 80.87 Favored 'General case' 0 C--N 1.348 0.529 0 O-C-N 120.436 -1.415 . . . . 0.0 113.595 170.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.5 tp -64.2 -40.24 95.67 Favored 'General case' 0 C--N 1.35 0.598 0 N-CA-C 115.524 1.675 . . . . 0.0 115.524 -176.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.31 -26.99 0.98 Allowed 'General case' 0 C--N 1.351 0.656 0 O-C-N 120.304 -1.497 . . . . 0.0 114.685 -177.421 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.37 -59.52 9.47 Favored Glycine 0 C--N 1.354 1.567 0 CA-C-N 121.887 2.13 . . . . 0.0 115.457 164.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.77 -35.41 80.5 Favored 'General case' 0 N--CA 1.449 -0.485 0 O-C-N 120.761 -1.435 . . . . 0.0 112.299 177.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -88.39 14.01 10.55 Favored 'General case' 0 N--CA 1.444 -0.741 0 O-C-N 120.922 -1.111 . . . . 0.0 112.548 178.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -94.07 -60.77 1.66 Allowed 'General case' 0 C--N 1.349 0.553 0 N-CA-C 106.853 -1.536 . . . . 0.0 106.853 150.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.05 -36.9 83.0 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 -166.442 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -102.51 -0.89 31.55 Favored 'General case' 0 C--N 1.346 0.447 0 O-C-N 120.768 -1.208 . . . . 0.0 112.817 176.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -137.11 9.04 2.98 Favored 'General case' 0 C--N 1.354 0.769 0 N-CA-C 116.019 1.859 . . . . 0.0 116.019 -174.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.2 m -63.63 -36.98 85.63 Favored 'General case' 0 C--N 1.349 0.577 0 O-C-N 119.868 -1.77 . . . . 0.0 112.401 176.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.0 m -57.38 -39.64 76.49 Favored 'General case' 0 C--N 1.344 0.35 0 C-N-CA 125.385 1.474 . . . . 0.0 113.316 176.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -100.49 -12.6 19.19 Favored 'General case' 0 C--N 1.347 0.492 0 O-C-N 121.076 -1.015 . . . . 0.0 112.796 -168.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -115.81 3.93 13.86 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 121.101 -0.999 . . . . 0.0 110.67 178.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 . . . . . 0 CA--C 1.511 -0.521 0 O-C-N 120.795 -1.191 . . . . 0.0 109.63 179.892 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.059 0 N-CA-C 109.994 -1.242 . . . . 0.0 109.994 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.4 tt -60.28 -38.1 76.23 Favored 'Isoleucine or valine' 0 C--N 1.346 0.415 0 C-N-CA 125.402 1.481 . . . . 0.0 113.41 -178.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -66.21 -26.96 72.64 Favored Glycine 0 C--N 1.351 1.407 0 C-N-CA 124.148 0.88 . . . . 0.0 114.257 173.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.2 -40.84 70.7 Favored Glycine 0 C--N 1.349 1.256 0 O-C-N 120.71 -1.465 . . . . 0.0 113.167 -173.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.75 -42.04 91.4 Favored 'General case' 0 C--N 1.346 0.446 0 O-C-N 121.11 -1.229 . . . . 0.0 114.02 176.274 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 38.3 pt -68.57 -42.33 83.46 Favored 'Isoleucine or valine' 0 C--N 1.354 0.792 0 O-C-N 120.267 -1.521 . . . . 0.0 113.276 174.156 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 79.7 mt -64.01 -39.91 95.17 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 120.33 -1.481 . . . . 0.0 113.158 175.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.3 t -60.71 -45.23 95.01 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 123.541 0.736 . . . . 0.0 112.709 174.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.55 -41.5 84.19 Favored Glycine 0 C--N 1.353 1.511 0 O-C-N 120.53 -1.357 . . . . 0.0 113.279 177.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.92 -46.73 83.48 Favored 'General case' 0 C--N 1.347 0.499 0 O-C-N 121.441 -1.035 . . . . 0.0 112.898 175.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -66.41 -40.61 89.67 Favored 'General case' 0 C--N 1.35 0.59 0 O-C-N 120.114 -1.616 . . . . 0.0 113.236 175.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 92.8 m -61.61 -44.42 97.03 Favored 'General case' 0 C--N 1.348 0.528 0 O-C-N 121.477 -0.765 . . . . 0.0 111.843 176.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.71 -47.22 81.99 Favored 'General case' 0 N--CA 1.449 -0.498 0 O-C-N 120.427 -1.421 . . . . 0.0 113.729 173.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.4 tp -66.84 -42.38 85.88 Favored 'General case' 0 C--N 1.347 0.496 0 N-CA-C 115.563 1.69 . . . . 0.0 115.563 -178.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -154.67 22.44 0.46 Allowed 'General case' 0 N--CA 1.45 -0.455 0 O-C-N 119.762 -1.836 . . . . 0.0 112.665 -168.035 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -105.66 -76.37 1.04 Allowed Glycine 0 C--N 1.348 1.247 0 N-CA-C 108.273 -1.931 . . . . 0.0 108.273 164.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.5 -41.92 95.31 Favored 'General case' 0 N--CA 1.449 -0.505 0 O-C-N 120.669 -1.489 . . . . 0.0 112.358 174.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.54 17.98 6.81 Favored 'General case' 0 N--CA 1.448 -0.573 0 O-C-N 120.832 -1.168 . . . . 0.0 112.4 174.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.9 tttm -93.25 -58.78 2.2 Favored 'General case' 0 C--N 1.349 0.578 0 O-C-N 120.265 -1.522 . . . . 0.0 108.063 150.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.56 -43.17 97.55 Favored 'General case' 0 C--N 1.345 0.396 0 N-CA-C 114.986 1.476 . . . . 0.0 114.986 -174.17 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 34.4 tp -74.13 -17.19 60.96 Favored 'General case' 0 C--N 1.347 0.484 0 O-C-N 120.166 -1.584 . . . . 0.0 112.624 177.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -106.11 -1.96 23.17 Favored 'General case' 0 N--CA 1.444 -0.756 0 O-C-N 120.442 -1.411 . . . . 0.0 112.325 -178.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.4 t -62.16 -40.62 96.59 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 120.863 -1.148 . . . . 0.0 113.878 -164.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.3 m -59.54 -38.59 81.46 Favored 'General case' 0 C--N 1.345 0.406 0 C-N-CA 125.399 1.48 . . . . 0.0 112.674 175.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -93.55 -0.89 56.08 Favored 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 120.892 -1.13 . . . . 0.0 111.432 -168.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -112.65 12.96 19.86 Favored 'General case' 0 C--N 1.345 0.395 0 C-N-CA 124.909 1.284 . . . . 0.0 108.192 168.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 60.3 t-80 . . . . . 0 N--CA 1.448 -0.533 0 O-C-N 120.927 -1.108 . . . . 0.0 109.75 179.471 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.04 0 N-CA-C 110.374 -1.091 . . . . 0.0 110.374 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.0 tt -58.39 -35.35 53.61 Favored 'Isoleucine or valine' 0 C--N 1.345 0.401 0 C-N-CA 125.939 1.695 . . . . 0.0 113.653 -174.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.69 -31.89 68.41 Favored Glycine 0 C--N 1.353 1.499 0 O-C-N 120.857 -1.152 . . . . 0.0 114.484 175.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.5 -4.74 89.3 Favored Glycine 0 C--N 1.35 1.313 0 O-C-N 121.692 -0.887 . . . . 0.0 113.308 177.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 54.4 tttp -98.54 -55.79 2.64 Favored 'General case' 0 N--CA 1.444 -0.744 0 O-C-N 121.169 -1.195 . . . . 0.0 109.807 168.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 27.6 pt -70.51 -42.21 78.18 Favored 'Isoleucine or valine' 0 C--N 1.352 0.687 0 N-CA-C 115.365 1.617 . . . . 0.0 115.365 -174.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 83.7 mt -77.49 -20.56 54.16 Favored 'General case' 0 C--N 1.353 0.755 0 O-C-N 119.501 -1.999 . . . . 0.0 111.614 -176.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.2 m -72.05 -14.38 61.85 Favored 'General case' 0 CA--C 1.513 -0.477 0 C-N-CA 125.568 1.547 . . . . 0.0 112.733 176.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.01 -48.74 1.32 Allowed Glycine 0 C--N 1.351 1.366 0 O-C-N 121.304 -0.873 . . . . 0.0 111.696 160.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -66.58 -47.26 73.3 Favored 'General case' 0 C--N 1.348 0.543 0 N-CA-C 115.23 1.567 . . . . 0.0 115.23 -171.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.7 mmtm -85.46 -23.13 27.95 Favored 'General case' 0 C--N 1.348 0.504 0 O-C-N 119.472 -2.018 . . . . 0.0 111.383 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 45.2 m -62.63 -45.97 90.38 Favored 'General case' 0 CA--C 1.512 -0.513 0 O-C-N 121.205 -0.935 . . . . 0.0 111.709 169.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.12 -47.07 75.33 Favored 'General case' 0 C--N 1.348 0.522 0 O-C-N 120.399 -1.438 . . . . 0.0 113.598 171.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 29.1 tp -74.34 -20.35 60.13 Favored 'General case' 0 C--N 1.349 0.562 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 -172.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -143.32 -21.37 0.62 Allowed 'General case' 0 C--N 1.349 0.576 0 O-C-N 119.649 -1.907 . . . . 0.0 115.721 178.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.28 -57.65 3.59 Favored Glycine 0 C--N 1.352 1.448 0 CA-C-N 121.021 1.737 . . . . 0.0 112.55 171.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.3 -40.57 96.71 Favored 'General case' 0 C--N 1.346 0.434 0 O-C-N 120.497 -1.59 . . . . 0.0 111.396 174.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -83.79 24.1 0.92 Allowed 'General case' 0 N--CA 1.443 -0.797 0 O-C-N 121.273 -0.892 . . . . 0.0 113.097 170.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -101.64 -60.85 1.46 Allowed 'General case' 0 C--N 1.35 0.604 0 O-C-N 119.049 -2.282 . . . . 0.0 107.22 150.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -57.17 -41.59 79.55 Favored 'General case' 0 C--N 1.343 0.321 0 N-CA-C 115.061 1.504 . . . . 0.0 115.061 -175.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 35.7 tp -75.97 -17.71 59.61 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 120.491 -1.381 . . . . 0.0 112.875 175.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -100.91 -21.78 14.99 Favored 'General case' 0 N--CA 1.448 -0.574 0 O-C-N 120.03 -1.669 . . . . 0.0 113.029 -176.003 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.8 m -60.83 -32.45 71.83 Favored 'General case' 0 C--N 1.349 0.585 0 O-C-N 120.31 -1.494 . . . . 0.0 113.253 -178.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.0 m -56.75 -37.31 70.85 Favored 'General case' 0 C--N 1.342 0.258 0 C-N-CA 124.61 1.164 . . . . 0.0 113.277 172.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -107.52 -25.9 11.17 Favored 'General case' 0 C--N 1.349 0.55 0 O-C-N 121.271 -0.893 . . . . 0.0 112.924 -171.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -109.76 -4.79 15.86 Favored 'General case' 0 C--N 1.349 0.578 0 O-C-N 120.783 -1.198 . . . . 0.0 111.959 -176.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 31.3 m170 . . . . . 0 CA--C 1.509 -0.606 0 O-C-N 120.379 -1.45 . . . . 0.0 109.871 177.872 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.038 0 N-CA-C 110.289 -1.124 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.5 tt -59.05 -37.34 67.37 Favored 'Isoleucine or valine' 0 C--N 1.345 0.4 0 C-N-CA 125.527 1.531 . . . . 0.0 113.446 -176.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.75 -29.6 61.71 Favored Glycine 0 C--N 1.354 1.557 0 C-N-CA 125.256 1.408 . . . . 0.0 114.057 175.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.39 -1.43 75.77 Favored Glycine 0 C--N 1.349 1.299 0 C-N-CA 124.827 1.203 . . . . 0.0 114.081 -179.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.54 -29.69 2.64 Favored 'General case' 0 C--N 1.348 0.504 0 O-C-N 121.128 -1.219 . . . . 0.0 112.65 168.574 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 29.1 pt -72.32 -42.82 65.52 Favored 'Isoleucine or valine' 0 C--N 1.356 0.872 0 O-C-N 119.467 -2.021 . . . . 0.0 113.696 173.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 87.4 mt -77.67 -22.39 50.63 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 119.503 -1.998 . . . . 0.0 111.453 -179.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.6 m -71.92 -14.74 62.01 Favored 'General case' 0 CA--C 1.512 -0.508 0 C-N-CA 125.506 1.522 . . . . 0.0 112.918 177.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.67 -46.99 1.86 Allowed Glycine 0 C--N 1.35 1.347 0 O-C-N 121.347 -0.845 . . . . 0.0 111.728 162.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.3 tt -66.05 -48.93 69.44 Favored 'General case' 0 C--N 1.35 0.59 0 N-CA-C 115.457 1.651 . . . . 0.0 115.457 -172.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -73.78 -37.55 64.93 Favored 'General case' 0 C--N 1.348 0.535 0 O-C-N 119.932 -1.73 . . . . 0.0 111.27 179.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.8 m -60.38 -43.41 96.63 Favored 'General case' 0 CA--C 1.511 -0.554 0 C-N-CA 125.212 1.405 . . . . 0.0 112.61 175.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.12 -47.76 78.72 Favored 'General case' 0 C--N 1.347 0.475 0 O-C-N 119.984 -1.698 . . . . 0.0 113.061 170.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 47.9 tp -62.51 -40.8 97.89 Favored 'General case' 0 C--N 1.349 0.583 0 N-CA-C 115.722 1.749 . . . . 0.0 115.722 -176.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -149.71 21.49 0.91 Allowed 'General case' 0 N--CA 1.451 -0.391 0 O-C-N 119.745 -1.847 . . . . 0.0 112.621 -173.031 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -106.62 -74.36 0.9 Allowed Glycine 0 C--N 1.346 1.115 0 N-CA-C 107.693 -2.163 . . . . 0.0 107.693 161.199 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.95 -44.42 94.42 Favored 'General case' 0 N--CA 1.45 -0.444 0 O-C-N 120.72 -1.459 . . . . 0.0 112.867 176.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.87 20.66 4.63 Favored 'General case' 0 C--N 1.349 0.561 0 O-C-N 120.538 -1.351 . . . . 0.0 112.439 173.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 37.9 tttm -92.96 -56.85 2.83 Favored 'General case' 0 C--N 1.349 0.545 0 O-C-N 120.075 -1.641 . . . . 0.0 108.347 150.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.89 -40.74 98.48 Favored 'General case' 0 C--N 1.345 0.388 0 N-CA-C 114.976 1.473 . . . . 0.0 114.976 -176.283 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 35.4 tp -74.35 -16.8 60.9 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 120.116 -1.615 . . . . 0.0 112.49 175.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -102.1 3.25 38.41 Favored 'General case' 0 N--CA 1.447 -0.607 0 O-C-N 120.23 -1.544 . . . . 0.0 111.605 179.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.6 p -61.26 -48.43 81.45 Favored 'General case' 0 C--N 1.348 0.525 0 N-CA-C 115.328 1.603 . . . . 0.0 115.328 -165.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 98.3 m -69.66 -45.9 67.34 Favored 'General case' 0 CA--C 1.515 -0.382 0 O-C-N 120.92 -1.113 . . . . 0.0 111.401 175.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -66.16 -40.5 90.59 Favored 'General case' 0 C--N 1.345 0.398 0 N-CA-C 115.374 1.62 . . . . 0.0 115.374 -172.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -108.81 5.52 24.67 Favored 'General case' 0 C--N 1.347 0.458 0 O-C-N 121.221 -0.924 . . . . 0.0 110.751 -176.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 21.6 t-160 . . . . . 0 CA--C 1.512 -0.486 0 O-C-N 120.732 -1.23 . . . . 0.0 109.792 179.172 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.498 -1.024 0 N-CA-C 110.412 -1.075 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.1 tt -58.61 -36.13 58.39 Favored 'Isoleucine or valine' 0 C--N 1.345 0.388 0 C-N-CA 125.835 1.654 . . . . 0.0 113.709 -174.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -59.15 -31.69 69.76 Favored Glycine 0 C--N 1.353 1.519 0 O-C-N 120.822 -1.174 . . . . 0.0 114.326 175.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.59 -5.26 89.38 Favored Glycine 0 C--N 1.35 1.317 0 O-C-N 121.584 -0.951 . . . . 0.0 113.353 177.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -96.91 -54.49 3.18 Favored 'General case' 0 N--CA 1.445 -0.69 0 O-C-N 120.944 -1.327 . . . . 0.0 109.918 167.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 30.1 pt -71.59 -43.19 71.65 Favored 'Isoleucine or valine' 0 C--N 1.351 0.65 0 N-CA-C 115.329 1.603 . . . . 0.0 115.329 -174.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 86.7 mt -76.19 -19.75 58.14 Favored 'General case' 0 C--N 1.354 0.802 0 O-C-N 119.459 -2.026 . . . . 0.0 111.681 -175.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.5 m -70.06 -14.57 62.73 Favored 'General case' 0 CA--C 1.514 -0.432 0 C-N-CA 125.802 1.641 . . . . 0.0 112.954 176.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.24 -48.59 1.13 Allowed Glycine 0 C--N 1.352 1.424 0 O-C-N 121.208 -0.933 . . . . 0.0 111.914 158.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -64.35 -35.07 79.69 Favored 'General case' 0 C--N 1.349 0.577 0 N-CA-C 115.259 1.578 . . . . 0.0 115.259 -169.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.8 mmtm -109.74 -17.8 13.59 Favored 'General case' 0 CA--C 1.514 -0.431 0 O-C-N 119.053 -2.28 . . . . 0.0 112.77 175.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 38.0 m -65.28 -47.92 75.0 Favored 'General case' 0 CA--C 1.511 -0.533 0 O-C-N 120.468 -1.395 . . . . 0.0 112.01 168.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.55 -51.02 31.45 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 120.448 -1.408 . . . . 0.0 112.147 174.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 34.3 tp -99.84 61.7 1.14 Allowed 'General case' 0 C--N 1.347 0.462 0 O-C-N 120.172 -1.58 . . . . 0.0 110.432 -175.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.1 tptm 177.77 -48.06 0.01 OUTLIER 'General case' 0 C--N 1.347 0.473 0 C-N-CA 127.732 2.413 . . . . 0.0 108.44 159.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.49 -67.96 1.68 Allowed Glycine 0 C--N 1.352 1.443 0 O-C-N 121.701 -0.624 . . . . 0.0 113.106 179.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.3 -37.93 84.98 Favored 'General case' 0 C--N 1.347 0.479 0 C-N-CA 124.83 1.252 . . . . 0.0 112.213 179.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.76 -47.13 64.26 Favored 'General case' 0 C--N 1.347 0.498 0 N-CA-C 115.307 1.595 . . . . 0.0 115.307 168.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.19 -40.72 82.15 Favored 'General case' 0 C--N 1.355 0.81 0 O-C-N 120.192 -1.568 . . . . 0.0 112.116 174.31 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -61.82 -49.82 74.77 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 125.41 1.484 . . . . 0.0 113.605 179.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -64.92 -42.03 95.04 Favored 'General case' 0 C--N 1.347 0.496 0 C-N-CA 125.778 1.631 . . . . 0.0 112.807 175.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.57 11.05 25.48 Favored 'General case' 0 N--CA 1.446 -0.627 0 O-C-N 120.161 -1.587 . . . . 0.0 112.334 -176.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.0 t -60.02 -39.55 86.24 Favored 'General case' 0 C--N 1.349 0.568 0 N-CA-C 114.379 1.251 . . . . 0.0 114.379 -170.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.2 m -66.14 -26.52 67.48 Favored 'General case' 0 CA--C 1.52 -0.192 0 C-N-CA 124.828 1.251 . . . . 0.0 113.127 178.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -111.81 -38.85 4.73 Favored 'General case' 0 C--N 1.347 0.478 0 O-C-N 120.996 -1.065 . . . . 0.0 111.084 -164.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -108.73 10.34 26.8 Favored 'General case' 0 C--N 1.347 0.494 0 O-C-N 120.958 -1.089 . . . . 0.0 110.114 -177.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 21.4 t-160 . . . . . 0 C--N 1.347 0.457 0 O-C-N 120.17 -1.581 . . . . 0.0 110.039 174.715 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.07 0 N-CA-C 110.315 -1.114 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -65.56 -20.27 27.13 Favored 'Isoleucine or valine' 0 C--N 1.344 0.36 0 C-N-CA 125.434 1.494 . . . . 0.0 113.458 -174.435 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.56 -31.05 66.24 Favored Glycine 0 C--N 1.353 1.513 0 C-N-CA 124.768 1.175 . . . . 0.0 113.862 171.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.3 -4.29 86.64 Favored Glycine 0 C--N 1.351 1.37 0 O-C-N 121.624 -0.927 . . . . 0.0 113.446 176.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -99.05 -56.47 2.42 Favored 'General case' 0 N--CA 1.445 -0.689 0 O-C-N 121.056 -1.261 . . . . 0.0 109.821 167.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 32.9 pt -70.16 -41.87 79.02 Favored 'Isoleucine or valine' 0 C--N 1.352 0.701 0 N-CA-C 115.548 1.684 . . . . 0.0 115.548 -174.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 81.1 mt -77.68 -20.35 53.83 Favored 'General case' 0 C--N 1.353 0.739 0 O-C-N 119.43 -2.044 . . . . 0.0 111.504 -176.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.3 m -71.84 -14.67 62.03 Favored 'General case' 0 CA--C 1.511 -0.526 0 C-N-CA 125.542 1.537 . . . . 0.0 112.779 176.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.76 -49.07 1.31 Allowed Glycine 0 C--N 1.351 1.394 0 O-C-N 121.306 -0.871 . . . . 0.0 111.688 161.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -66.48 -47.19 73.84 Favored 'General case' 0 C--N 1.349 0.559 0 N-CA-C 115.262 1.578 . . . . 0.0 115.262 -171.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.0 mmtm -84.66 -24.36 29.06 Favored 'General case' 0 C--N 1.348 0.508 0 O-C-N 119.567 -1.958 . . . . 0.0 111.4 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 34.9 m -63.15 -44.99 93.97 Favored 'General case' 0 CA--C 1.511 -0.523 0 O-C-N 121.454 -0.779 . . . . 0.0 111.952 169.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.95 -48.57 68.14 Favored 'General case' 0 C--N 1.349 0.555 0 O-C-N 120.621 -1.299 . . . . 0.0 113.61 172.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.5 tp -67.32 -32.32 73.2 Favored 'General case' 0 C--N 1.351 0.654 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -176.225 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.408 ' HA ' ' HZ1' ' A' ' 15' ' ' LYS 0.335 0.9 OUTLIER -113.22 -64.08 1.36 Allowed 'General case' 0 CA--C 1.504 -0.79 0 O-C-N 119.802 -1.811 . . . . 0.0 115.275 175.733 . . . . . . . . 4 4 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -54.89 -62.52 6.17 Favored Glycine 0 C--N 1.35 1.352 0 CA-C-N 120.298 1.408 . . . . 0.0 115.986 -177.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.51 -43.2 97.91 Favored 'General case' 0 C--N 1.345 0.385 0 O-C-N 120.294 -1.71 . . . . 0.0 112.871 -179.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.32 -46.07 65.88 Favored 'General case' 0 N--CA 1.441 -0.879 0 N-CA-C 120.326 3.454 . . . . 0.0 120.326 168.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? -63.39 -41.76 98.78 Favored 'General case' 0 C--N 1.35 0.612 1 N-CA-C 121.821 4.008 . . . . 0.0 121.821 151.749 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.42 -40.11 93.2 Favored 'General case' 0 N--CA 1.463 0.18 0 O-C-N 118.66 -2.525 . . . . 0.0 113.58 178.513 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.6 tt -65.88 -44.99 83.69 Favored 'General case' 0 N--CA 1.451 -0.396 0 O-C-N 120.916 -1.115 . . . . 0.0 113.441 167.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -94.13 5.22 52.4 Favored 'General case' 0 C--N 1.35 0.607 0 O-C-N 119.653 -1.904 . . . . 0.0 115.123 -168.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.7 m -70.47 -12.72 61.76 Favored 'General case' 0 C--N 1.349 0.565 0 O-C-N 119.505 -1.997 . . . . 0.0 113.255 177.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.6 t -76.9 -21.49 54.82 Favored 'General case' 0 C--N 1.344 0.354 0 O-C-N 120.017 -1.677 . . . . 0.0 112.663 166.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -113.98 -38.0 4.32 Favored 'General case' 0 C--N 1.352 0.677 0 O-C-N 120.593 -1.317 . . . . 0.0 113.136 -172.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -118.51 13.66 13.5 Favored 'General case' 0 C--N 1.348 0.529 0 C-N-CA 125.388 1.475 . . . . 0.0 109.322 -177.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 22.6 m80 . . . . . 0 C--O 1.239 0.543 0 N-CA-C 117.057 2.243 . . . . 0.0 117.057 168.172 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.044 0 N-CA-C 110.272 -1.131 . . . . 0.0 110.272 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.4 tt -59.1 -36.23 61.47 Favored 'Isoleucine or valine' 0 C--N 1.345 0.41 0 C-N-CA 125.554 1.541 . . . . 0.0 113.533 -176.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.78 -30.33 59.57 Favored Glycine 0 C--N 1.355 1.592 0 C-N-CA 125.318 1.437 . . . . 0.0 113.951 175.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.92 -1.35 72.69 Favored Glycine 0 C--N 1.348 1.217 0 C-N-CA 124.799 1.19 . . . . 0.0 114.118 -178.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.91 -29.89 2.78 Favored 'General case' 0 C--N 1.347 0.466 0 O-C-N 121.212 -1.169 . . . . 0.0 112.657 168.145 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 30.0 pt -71.97 -42.61 68.54 Favored 'Isoleucine or valine' 0 C--N 1.355 0.847 0 O-C-N 119.434 -2.041 . . . . 0.0 113.803 174.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.4 mt -71.89 -35.49 69.74 Favored 'General case' 0 C--N 1.354 0.802 0 O-C-N 120.065 -1.647 . . . . 0.0 111.703 177.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.8 m -67.27 -14.38 62.86 Favored 'General case' 0 C--N 1.346 0.423 0 C-N-CA 125.888 1.675 . . . . 0.0 113.577 178.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.05 -70.6 1.17 Allowed Glycine 0 C--N 1.346 1.129 0 N-CA-C 110.58 -1.008 . . . . 0.0 110.58 161.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -61.4 -46.29 90.77 Favored 'General case' 0 C--N 1.347 0.491 0 N-CA-C 115.652 1.723 . . . . 0.0 115.652 -167.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm -83.19 -23.98 32.64 Favored 'General case' 0 C--N 1.347 0.49 0 O-C-N 119.409 -2.057 . . . . 0.0 112.036 -179.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 64.8 m -62.92 -44.66 95.48 Favored 'General case' 0 CA--C 1.51 -0.592 0 O-C-N 121.101 -1.0 . . . . 0.0 111.431 168.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.79 -48.79 70.59 Favored 'General case' 0 N--CA 1.449 -0.485 0 O-C-N 120.482 -1.386 . . . . 0.0 113.666 171.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 30.4 tp -75.19 -21.56 58.62 Favored 'General case' 0 C--N 1.35 0.598 0 N-CA-C 114.898 1.444 . . . . 0.0 114.898 -171.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.4 tptp -132.46 -28.1 1.69 Allowed 'General case' 0 C--N 1.348 0.532 0 O-C-N 119.611 -1.93 . . . . 0.0 114.047 177.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.39 -69.16 1.42 Allowed Glycine 0 C--N 1.349 1.275 0 CA-C-N 120.344 1.429 . . . . 0.0 112.062 177.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.29 -37.53 77.92 Favored 'General case' 0 C--N 1.347 0.458 0 C-N-CA 124.975 1.31 . . . . 0.0 112.265 178.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.57 -46.88 63.59 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 125.375 1.47 . . . . 0.0 114.895 165.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.469 ' HZ3' ' CD ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -62.35 -46.15 89.97 Favored 'General case' 0 C--N 1.361 1.072 0 O-C-N 119.874 -1.766 . . . . 0.0 111.761 173.597 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.469 ' CD ' ' HZ3' ' A' ' 19' ' ' LYS . 11.4 mm-40 -62.3 -44.65 96.02 Favored 'General case' 0 C--N 1.345 0.409 0 O-C-N 121.014 -1.054 . . . . 0.0 113.162 -178.294 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -62.59 -42.86 99.82 Favored 'General case' 0 C--N 1.348 0.514 0 C-N-CA 124.354 1.062 . . . . 0.0 113.172 172.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -92.65 9.38 35.08 Favored 'General case' 0 N--CA 1.447 -0.617 0 O-C-N 120.025 -1.672 . . . . 0.0 113.629 -173.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.6 m -60.97 -41.36 96.22 Favored 'General case' 0 CA--C 1.51 -0.583 0 O-C-N 120.541 -1.349 . . . . 0.0 113.944 -173.066 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.93 4.07 51.77 Favored 'General case' 0 C--N 1.343 0.309 0 CA-C-O 121.716 0.769 . . . . 0.0 111.116 -177.465 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -111.31 -38.3 5.03 Favored 'General case' 0 C--N 1.348 0.507 0 O-C-N 120.65 -1.281 . . . . 0.0 111.589 -178.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.8 mp -109.14 7.96 25.77 Favored 'General case' 0 C--N 1.346 0.456 0 O-C-N 121.002 -1.061 . . . . 0.0 109.8 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 63.0 t-80 . . . . . 0 N--CA 1.446 -0.663 0 O-C-N 120.802 -1.186 . . . . 0.0 108.149 173.897 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.047 0 N-CA-C 110.368 -1.093 . . . . 0.0 110.368 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.0 tt -58.29 -38.59 69.81 Favored 'Isoleucine or valine' 0 C--N 1.345 0.389 0 C-N-CA 125.807 1.643 . . . . 0.0 113.713 -173.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.34 -30.04 70.33 Favored Glycine 0 C--N 1.353 1.49 0 O-C-N 120.572 -1.33 . . . . 0.0 114.053 176.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.44 -4.71 84.88 Favored Glycine 0 C--N 1.348 1.212 0 O-C-N 121.255 -1.144 . . . . 0.0 113.765 -178.379 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.09 14.83 13.19 Favored 'General case' 0 N--CA 1.449 -0.513 0 O-C-N 121.096 -1.238 . . . . 0.0 112.194 172.225 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 20.9 pt -130.4 -37.97 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.804 0 O-C-N 121.139 -0.975 . . . . 0.0 112.454 166.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 90.2 mt -76.36 -22.46 54.82 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 119.339 -2.101 . . . . 0.0 111.411 -178.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.3 m -70.29 -11.98 61.27 Favored 'General case' 0 CA--C 1.514 -0.435 0 C-N-CA 126.221 1.809 . . . . 0.0 113.07 175.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.57 -49.33 1.12 Allowed Glycine 0 C--N 1.351 1.39 0 O-C-N 121.33 -0.856 . . . . 0.0 111.37 161.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.7 tt -65.1 -47.08 78.47 Favored 'General case' 0 C--N 1.349 0.547 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 -172.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -86.93 -22.87 25.37 Favored 'General case' 0 C--N 1.348 0.503 0 O-C-N 119.786 -1.821 . . . . 0.0 111.252 -179.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 35.4 m -63.96 -42.56 97.24 Favored 'General case' 0 CA--C 1.512 -0.514 0 C-N-CA 124.105 0.962 . . . . 0.0 111.924 168.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.09 -46.84 79.46 Favored 'General case' 0 N--CA 1.448 -0.56 0 O-C-N 120.28 -1.513 . . . . 0.0 113.366 169.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 26.6 tp -66.55 -45.39 79.54 Favored 'General case' 0 C--N 1.351 0.639 0 N-CA-C 115.721 1.749 . . . . 0.0 115.721 -177.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.2 tptp -83.12 -50.43 8.49 Favored 'General case' 0 CA--C 1.508 -0.665 0 O-C-N 119.947 -1.721 . . . . 0.0 111.044 173.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -78.82 -73.25 1.12 Allowed Glycine 0 CA--C 1.488 -1.609 0 O-C-N 121.306 -0.871 . . . . 0.0 111.625 -165.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.05 -43.77 91.73 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 -174.402 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.2 -49.01 71.41 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 115.636 1.717 . . . . 0.0 115.636 177.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.0 tptt -74.7 -40.4 61.38 Favored 'General case' 0 C--N 1.355 0.829 0 O-C-N 120.008 -1.682 . . . . 0.0 113.41 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.38 -37.23 84.8 Favored 'General case' 0 C--N 1.345 0.387 0 O-C-N 120.666 -1.271 . . . . 0.0 112.171 179.22 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 51.0 tp -63.7 -43.84 95.43 Favored 'General case' 0 C--N 1.354 0.801 0 O-C-N 119.924 -1.735 . . . . 0.0 112.759 166.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.3 37.15 0.72 Allowed 'General case' 0 N--CA 1.446 -0.66 0 O-C-N 119.992 -1.693 . . . . 0.0 112.994 176.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.2 m -59.47 -53.34 59.29 Favored 'General case' 0 C--N 1.356 0.856 0 O-C-N 120.623 -1.298 . . . . 0.0 112.683 -175.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.8 m -75.99 -46.08 31.39 Favored 'General case' 0 CA--C 1.513 -0.456 0 C-N-CA 123.766 0.826 . . . . 0.0 112.521 173.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -67.84 -42.66 81.06 Favored 'General case' 0 C--N 1.348 0.524 0 N-CA-C 115.978 1.844 . . . . 0.0 115.978 -163.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -109.73 71.03 0.75 Allowed 'General case' 0 C--N 1.346 0.45 0 N-CA-C 105.987 -1.857 . . . . 0.0 105.987 173.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 9.6 m80 . . . . . 0 C--N 1.346 0.444 0 C-N-CA 130.225 3.41 . . . . 0.0 117.091 -161.874 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.032 0 N-CA-C 110.375 -1.09 . . . . 0.0 110.375 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.0 tt -58.34 -35.01 51.83 Favored 'Isoleucine or valine' 0 C--N 1.346 0.424 0 C-N-CA 125.943 1.697 . . . . 0.0 113.647 -174.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.46 -31.65 67.06 Favored Glycine 0 C--N 1.353 1.525 0 O-C-N 120.79 -1.194 . . . . 0.0 114.556 175.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.33 -4.78 89.18 Favored Glycine 0 C--N 1.35 1.358 0 O-C-N 121.663 -0.904 . . . . 0.0 113.349 177.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.9 tttp -98.79 -56.36 2.46 Favored 'General case' 0 N--CA 1.444 -0.744 0 O-C-N 121.154 -1.204 . . . . 0.0 109.705 168.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 28.2 pt -69.99 -41.43 79.36 Favored 'Isoleucine or valine' 0 C--N 1.351 0.666 0 N-CA-C 115.388 1.625 . . . . 0.0 115.388 -174.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 86.6 mt -78.48 -21.53 48.84 Favored 'General case' 0 C--N 1.354 0.768 0 O-C-N 119.538 -1.976 . . . . 0.0 111.739 -177.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.3 m -71.69 -15.76 62.22 Favored 'General case' 0 CA--C 1.513 -0.445 0 C-N-CA 125.007 1.323 . . . . 0.0 112.132 175.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.15 -65.2 1.22 Allowed Glycine 0 C--N 1.348 1.244 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 160.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -61.73 -48.2 81.81 Favored 'General case' 0 C--N 1.348 0.506 0 N-CA-C 116.191 1.923 . . . . 0.0 116.191 -167.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.8 mmtm -72.99 -38.1 66.75 Favored 'General case' 0 C--N 1.351 0.643 0 O-C-N 119.551 -1.968 . . . . 0.0 111.753 178.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.7 m -59.88 -43.73 94.59 Favored 'General case' 0 CA--C 1.51 -0.571 0 C-N-CA 124.556 1.143 . . . . 0.0 112.433 175.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.95 -47.64 79.63 Favored 'General case' 0 N--CA 1.448 -0.537 0 O-C-N 120.167 -1.583 . . . . 0.0 113.231 171.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.2 tp -63.22 -41.5 99.13 Favored 'General case' 0 C--N 1.349 0.558 0 N-CA-C 115.56 1.689 . . . . 0.0 115.56 -176.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -150.1 20.47 0.87 Allowed 'General case' 0 C--N 1.346 0.426 0 O-C-N 119.823 -1.798 . . . . 0.0 113.172 -172.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -103.63 -76.78 1.14 Allowed Glycine 0 C--N 1.346 1.138 0 N-CA-C 107.58 -2.208 . . . . 0.0 107.58 160.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.02 -41.45 87.79 Favored 'General case' 0 N--CA 1.451 -0.412 0 O-C-N 120.817 -1.402 . . . . 0.0 112.974 178.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.91 17.73 6.45 Favored 'General case' 0 N--CA 1.447 -0.587 0 O-C-N 120.733 -1.229 . . . . 0.0 112.835 173.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.443 ' HZ1' ' CD ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -91.1 -52.96 4.57 Favored 'General case' 0 C--N 1.353 0.76 0 O-C-N 119.93 -1.731 . . . . 0.0 107.232 150.462 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.443 ' CD ' ' HZ1' ' A' ' 19' ' ' LYS . 10.5 mm-40 -61.78 -43.56 98.61 Favored 'General case' 0 C--N 1.35 0.605 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 -175.121 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.8 tt -61.15 -34.42 74.98 Favored 'General case' 0 C--N 1.348 0.52 0 O-C-N 120.64 -1.287 . . . . 0.0 113.137 174.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.95 4.64 49.44 Favored 'General case' 0 N--CA 1.443 -0.806 0 O-C-N 120.67 -1.269 . . . . 0.0 112.187 -177.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 t -65.03 -41.86 94.87 Favored 'General case' 0 CA--C 1.507 -0.675 0 N-CA-C 114.785 1.402 . . . . 0.0 114.785 -162.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.0 m -62.88 -44.12 96.97 Favored 'General case' 0 CA--C 1.515 -0.369 0 O-C-N 120.862 -1.149 . . . . 0.0 112.299 175.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -69.86 -41.9 74.24 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.417 1.487 . . . . 0.0 114.386 -177.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.3 mp -99.92 -10.8 21.28 Favored 'General case' 0 C--N 1.348 0.539 0 O-C-N 121.017 -1.052 . . . . 0.0 111.873 -174.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 43.0 m170 . . . . . 0 CA--C 1.511 -0.53 0 O-C-N 121.05 -1.031 . . . . 0.0 108.821 177.463 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.498 -1.002 0 N-CA-C 110.418 -1.073 . . . . 0.0 110.418 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -59.88 -27.78 39.21 Favored 'Isoleucine or valine' 0 C--N 1.344 0.363 0 C-N-CA 126.256 1.822 . . . . 0.0 113.82 -175.645 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.93 -30.67 63.62 Favored Glycine 0 C--N 1.353 1.485 0 C-N-CA 124.983 1.278 . . . . 0.0 114.242 173.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.33 -4.46 86.9 Favored Glycine 0 C--N 1.351 1.372 0 CA-C-N 118.092 0.946 . . . . 0.0 113.51 177.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -99.73 -56.28 2.43 Favored 'General case' 0 N--CA 1.445 -0.688 0 O-C-N 121.161 -1.199 . . . . 0.0 109.879 167.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 35.9 pt -68.99 -41.58 81.83 Favored 'Isoleucine or valine' 0 C--N 1.351 0.673 0 N-CA-C 115.553 1.686 . . . . 0.0 115.553 -175.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 88.0 mt -77.9 -19.68 54.29 Favored 'General case' 0 C--N 1.353 0.726 0 O-C-N 119.41 -2.056 . . . . 0.0 111.62 -177.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.2 m -72.25 -14.14 61.7 Favored 'General case' 0 CA--C 1.512 -0.505 0 C-N-CA 125.264 1.425 . . . . 0.0 112.535 176.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.68 -47.78 1.6 Allowed Glycine 0 C--N 1.351 1.385 0 O-C-N 121.364 -0.835 . . . . 0.0 111.948 161.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -67.04 -48.56 67.97 Favored 'General case' 0 C--N 1.35 0.592 0 N-CA-C 115.453 1.649 . . . . 0.0 115.453 -172.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.4 mmtm -74.22 -36.86 63.96 Favored 'General case' 0 C--N 1.35 0.622 0 O-C-N 119.623 -1.923 . . . . 0.0 111.344 177.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.6 m -59.81 -43.54 94.44 Favored 'General case' 0 CA--C 1.511 -0.541 0 C-N-CA 124.719 1.208 . . . . 0.0 112.709 175.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.42 -47.6 78.53 Favored 'General case' 0 C--N 1.348 0.521 0 O-C-N 120.005 -1.684 . . . . 0.0 113.239 170.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 42.0 tp -63.12 -40.92 99.01 Favored 'General case' 0 C--N 1.349 0.586 0 N-CA-C 115.625 1.713 . . . . 0.0 115.625 -176.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -150.12 20.18 0.87 Allowed 'General case' 0 N--CA 1.451 -0.412 0 O-C-N 119.76 -1.837 . . . . 0.0 112.929 -172.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -103.79 -76.78 1.14 Allowed Glycine 0 C--N 1.347 1.187 0 N-CA-C 107.541 -2.224 . . . . 0.0 107.541 160.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.51 -41.56 85.71 Favored 'General case' 0 N--CA 1.45 -0.44 0 O-C-N 120.558 -1.554 . . . . 0.0 112.925 178.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.85 17.59 6.54 Favored 'General case' 0 N--CA 1.446 -0.656 0 O-C-N 120.61 -1.306 . . . . 0.0 112.955 173.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.492 ' HZ1' ' CD ' ' A' ' 20' ' ' GLU . 0.6 OUTLIER -96.22 -40.2 9.29 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 119.862 -1.774 . . . . 0.0 109.322 152.28 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.492 ' CD ' ' HZ1' ' A' ' 19' ' ' LYS . 8.9 mm-40 -68.91 -44.48 73.07 Favored 'General case' 0 C--N 1.348 0.523 0 O-C-N 120.752 -1.218 . . . . 0.0 113.846 179.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 45.5 tp -61.72 -32.09 72.29 Favored 'General case' 0 C--N 1.347 0.499 0 O-C-N 120.674 -1.266 . . . . 0.0 112.942 174.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.08 3.11 53.59 Favored 'General case' 0 N--CA 1.442 -0.833 0 O-C-N 120.709 -1.244 . . . . 0.0 112.519 -178.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 t -63.13 -37.66 88.09 Favored 'General case' 0 C--N 1.351 0.669 0 N-CA-C 114.955 1.465 . . . . 0.0 114.955 -164.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.2 m -93.51 3.21 55.91 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-O 121.898 0.856 . . . . 0.0 110.838 -175.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -124.26 -37.48 2.54 Favored 'General case' 0 C--N 1.348 0.532 0 O-C-N 120.759 -1.213 . . . . 0.0 111.198 -170.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -109.69 -0.31 18.62 Favored 'General case' 0 C--N 1.348 0.508 0 O-C-N 121.333 -0.854 . . . . 0.0 109.759 177.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 60.7 m-70 . . . . . 0 C--N 1.349 0.549 0 N-CA-C 115.966 1.839 . . . . 0.0 115.966 171.429 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.069 0 N-CA-C 110.433 -1.067 . . . . 0.0 110.433 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -59.79 -27.83 39.09 Favored 'Isoleucine or valine' 0 C--N 1.344 0.364 0 C-N-CA 126.262 1.825 . . . . 0.0 113.854 -175.69 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.99 -30.59 63.72 Favored Glycine 0 C--N 1.353 1.498 0 C-N-CA 124.941 1.258 . . . . 0.0 114.294 173.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.45 -4.51 87.27 Favored Glycine 0 C--N 1.351 1.383 0 CA-C-N 118.052 0.926 . . . . 0.0 113.512 177.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -99.55 -56.43 2.4 Favored 'General case' 0 N--CA 1.446 -0.649 0 O-C-N 121.157 -1.202 . . . . 0.0 109.8 167.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 36.0 pt -68.86 -41.55 82.17 Favored 'Isoleucine or valine' 0 C--N 1.352 0.694 0 N-CA-C 115.54 1.681 . . . . 0.0 115.54 -175.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 90.7 mt -78.25 -19.19 54.23 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 119.397 -2.064 . . . . 0.0 111.695 -177.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.0 m -72.44 -14.5 61.7 Favored 'General case' 0 CA--C 1.512 -0.496 0 C-N-CA 125.123 1.369 . . . . 0.0 112.537 176.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.5 -47.48 1.66 Allowed Glycine 0 C--N 1.351 1.385 0 O-C-N 121.337 -0.852 . . . . 0.0 111.921 161.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -66.78 -48.7 68.2 Favored 'General case' 0 C--N 1.351 0.645 0 N-CA-C 115.342 1.608 . . . . 0.0 115.342 -172.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.7 mmtm -72.93 -37.74 67.08 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 119.661 -1.899 . . . . 0.0 111.469 177.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.3 m -59.82 -43.51 94.51 Favored 'General case' 0 CA--C 1.512 -0.504 0 C-N-CA 124.911 1.284 . . . . 0.0 112.737 176.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.34 -48.45 72.97 Favored 'General case' 0 N--CA 1.449 -0.521 0 O-C-N 120.061 -1.649 . . . . 0.0 113.304 170.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.9 tp -63.53 -40.39 96.91 Favored 'General case' 0 C--N 1.35 0.598 0 N-CA-C 115.681 1.734 . . . . 0.0 115.681 -175.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -149.8 20.56 0.9 Allowed 'General case' 0 N--CA 1.449 -0.501 0 O-C-N 119.827 -1.795 . . . . 0.0 112.357 -172.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -103.25 -78.18 1.26 Allowed Glycine 0 C--N 1.347 1.181 0 N-CA-C 107.529 -2.228 . . . . 0.0 107.529 160.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.24 -42.47 91.18 Favored 'General case' 0 C--N 1.345 0.406 0 O-C-N 120.665 -1.491 . . . . 0.0 113.051 178.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.78 17.1 6.95 Favored 'General case' 0 N--CA 1.446 -0.659 0 O-C-N 120.74 -1.225 . . . . 0.0 112.482 173.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.501 ' HZ2' ' CD ' ' A' ' 20' ' ' GLU . 8.8 tttm -90.65 -54.6 3.91 Favored 'General case' 0 C--N 1.354 0.761 0 O-C-N 119.872 -1.768 . . . . 0.0 107.642 150.432 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.501 ' CD ' ' HZ2' ' A' ' 19' ' ' LYS . 13.5 mm-40 -60.47 -42.46 96.27 Favored 'General case' 0 C--N 1.351 0.645 0 N-CA-C 114.511 1.3 . . . . 0.0 114.511 -173.02 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.51 -17.39 62.34 Favored 'General case' 0 C--N 1.348 0.535 0 O-C-N 120.79 -1.193 . . . . 0.0 112.179 177.159 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -100.17 -9.23 22.72 Favored 'General case' 0 N--CA 1.445 -0.72 0 O-C-N 119.983 -1.698 . . . . 0.0 112.156 177.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.6 m -74.89 -15.3 60.71 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 120.198 -1.564 . . . . 0.0 112.815 -173.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.5 m -61.65 -36.52 81.04 Favored 'General case' 0 C--N 1.342 0.253 0 O-C-N 121.023 -1.048 . . . . 0.0 112.673 166.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -112.26 -33.92 6.07 Favored 'General case' 0 C--N 1.349 0.573 0 O-C-N 121.145 -0.972 . . . . 0.0 112.298 -168.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.1 mp -108.19 2.12 22.62 Favored 'General case' 0 C--N 1.348 0.505 0 C-N-CA 124.64 1.176 . . . . 0.0 110.333 -177.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 . . . . . 0 C--O 1.24 0.598 0 N-CA-C 115.572 1.693 . . . . 0.0 115.572 172.883 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.062 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -58.99 -29.12 40.44 Favored 'Isoleucine or valine' 0 C--N 1.345 0.399 0 C-N-CA 126.396 1.878 . . . . 0.0 113.98 -175.252 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.24 -31.68 66.29 Favored Glycine 0 C--N 1.353 1.503 0 C-N-CA 124.495 1.045 . . . . 0.0 114.389 173.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.23 -5.29 89.14 Favored Glycine 0 C--N 1.351 1.39 0 O-C-N 121.469 -1.018 . . . . 0.0 113.265 176.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.8 tmtm? -95.95 -54.53 3.29 Favored 'General case' 0 N--CA 1.445 -0.697 0 O-C-N 121.019 -1.283 . . . . 0.0 109.369 169.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 34.9 pt -73.24 -42.27 58.0 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 N-CA-C 115.515 1.672 . . . . 0.0 115.515 -175.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.0 mt -76.86 -20.2 56.59 Favored 'General case' 0 C--N 1.354 0.78 0 O-C-N 119.255 -2.153 . . . . 0.0 111.729 -175.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 42.8 m -71.34 -13.79 61.98 Favored 'General case' 0 CA--C 1.513 -0.472 0 C-N-CA 125.543 1.537 . . . . 0.0 112.65 175.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.36 -47.59 1.53 Allowed Glycine 0 C--N 1.352 1.439 0 O-C-N 121.276 -0.89 . . . . 0.0 111.898 161.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -66.93 -48.83 67.42 Favored 'General case' 0 C--N 1.35 0.597 0 N-CA-C 115.425 1.639 . . . . 0.0 115.425 -172.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.6 mmtm -72.99 -37.79 66.87 Favored 'General case' 0 C--N 1.351 0.639 0 O-C-N 119.666 -1.896 . . . . 0.0 111.302 177.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.1 m -59.63 -43.75 93.71 Favored 'General case' 0 CA--C 1.511 -0.543 0 C-N-CA 124.861 1.264 . . . . 0.0 112.752 176.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.81 -47.87 76.48 Favored 'General case' 0 N--CA 1.45 -0.466 0 O-C-N 120.092 -1.63 . . . . 0.0 113.228 170.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.0 tp -63.22 -41.46 99.13 Favored 'General case' 0 C--N 1.349 0.557 0 N-CA-C 115.567 1.692 . . . . 0.0 115.567 -175.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -150.31 21.41 0.84 Allowed 'General case' 0 N--CA 1.45 -0.452 0 O-C-N 119.796 -1.815 . . . . 0.0 112.784 -172.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -104.14 -77.14 1.15 Allowed Glycine 0 C--N 1.347 1.176 0 N-CA-C 107.623 -2.191 . . . . 0.0 107.623 160.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.96 -41.64 87.96 Favored 'General case' 0 N--CA 1.45 -0.448 0 O-C-N 120.713 -1.463 . . . . 0.0 113.009 178.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.8 17.72 6.34 Favored 'General case' 0 N--CA 1.447 -0.617 0 O-C-N 120.7 -1.25 . . . . 0.0 112.757 173.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.443 ' HZ3' ' CD ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -91.35 -52.15 4.94 Favored 'General case' 0 C--N 1.353 0.721 0 O-C-N 119.93 -1.731 . . . . 0.0 107.485 150.904 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.443 ' CD ' ' HZ3' ' A' ' 19' ' ' LYS . 9.0 mm-40 -62.43 -44.99 95.1 Favored 'General case' 0 C--N 1.35 0.617 0 N-CA-C 114.926 1.454 . . . . 0.0 114.926 -175.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.1 tt -61.48 -35.31 77.3 Favored 'General case' 0 C--N 1.348 0.533 0 O-C-N 120.891 -1.131 . . . . 0.0 113.088 176.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -98.46 3.64 48.31 Favored 'General case' 0 N--CA 1.442 -0.825 0 O-C-N 120.836 -1.165 . . . . 0.0 112.324 -176.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.3 t -62.73 -36.41 82.94 Favored 'General case' 0 C--N 1.351 0.647 0 N-CA-C 114.992 1.479 . . . . 0.0 114.992 -161.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.0 m -61.94 -40.46 95.61 Favored 'General case' 0 C--N 1.343 0.312 0 C-N-CA 125.251 1.42 . . . . 0.0 113.123 174.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -97.88 -13.45 21.24 Favored 'General case' 0 C--N 1.345 0.404 0 O-C-N 121.09 -1.006 . . . . 0.0 111.669 -166.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -115.74 31.57 6.63 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 125.906 1.683 . . . . 0.0 107.425 177.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 . . . . . 0 C--N 1.347 0.487 0 CA-C-O 122.212 1.006 . . . . 0.0 112.428 179.963 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.062 0 N-CA-C 110.325 -1.11 . . . . 0.0 110.325 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -64.34 -21.68 29.56 Favored 'Isoleucine or valine' 0 C--N 1.345 0.381 0 C-N-CA 125.539 1.536 . . . . 0.0 113.619 -174.669 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.31 -30.81 65.03 Favored Glycine 0 C--N 1.353 1.473 0 C-N-CA 124.98 1.276 . . . . 0.0 113.89 172.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.98 -4.21 85.59 Favored Glycine 0 C--N 1.35 1.346 0 O-C-N 121.65 -0.912 . . . . 0.0 113.499 177.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -100.63 -56.67 2.28 Favored 'General case' 0 N--CA 1.446 -0.636 0 O-C-N 121.146 -1.208 . . . . 0.0 109.871 167.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 33.4 pt -68.55 -40.94 82.66 Favored 'Isoleucine or valine' 0 C--N 1.352 0.704 0 N-CA-C 115.585 1.698 . . . . 0.0 115.585 -174.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 78.9 mt -79.02 -21.02 47.56 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 119.584 -1.948 . . . . 0.0 111.558 -178.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 43.0 m -72.0 -14.29 61.85 Favored 'General case' 0 CA--C 1.513 -0.45 0 C-N-CA 125.354 1.462 . . . . 0.0 112.28 175.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -93.6 -68.83 1.09 Allowed Glycine 0 C--N 1.347 1.183 0 N-CA-C 110.208 -1.157 . . . . 0.0 110.208 160.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -60.97 -45.02 96.44 Favored 'General case' 0 C--N 1.347 0.457 0 N-CA-C 115.79 1.774 . . . . 0.0 115.79 -167.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.6 mmtm -89.27 -18.39 27.1 Favored 'General case' 0 C--N 1.347 0.479 0 O-C-N 119.428 -2.045 . . . . 0.0 111.877 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 91.6 m -64.08 -45.13 90.05 Favored 'General case' 0 CA--C 1.512 -0.518 0 O-C-N 120.67 -1.269 . . . . 0.0 111.15 165.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.3 -48.64 72.44 Favored 'General case' 0 C--N 1.349 0.546 0 O-C-N 120.954 -1.091 . . . . 0.0 113.801 172.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 26.1 tp -77.01 -17.46 58.82 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 120.819 -1.175 . . . . 0.0 114.019 -173.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -118.03 -70.6 0.78 Allowed 'General case' 0 CA--C 1.507 -0.701 0 O-C-N 119.922 -1.736 . . . . 0.0 112.211 176.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -54.13 -61.09 7.52 Favored Glycine 0 C--N 1.35 1.342 0 CA-C-N 119.572 1.078 . . . . 0.0 115.72 -178.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.47 -40.91 98.2 Favored 'General case' 0 C--N 1.347 0.458 0 O-C-N 121.182 -1.187 . . . . 0.0 112.687 -179.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.65 -46.87 63.89 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 125.38 1.472 . . . . 0.0 114.287 167.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.455 ' HZ1' ' CD ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -62.72 -46.76 86.62 Favored 'General case' 0 C--N 1.354 0.782 0 O-C-N 120.03 -1.669 . . . . 0.0 112.394 174.169 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.455 ' CD ' ' HZ1' ' A' ' 19' ' ' LYS . 7.7 mm-40 -65.71 -35.75 81.63 Favored 'General case' 0 C--N 1.344 0.355 0 O-C-N 120.528 -1.357 . . . . 0.0 113.789 -177.295 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.21 -5.65 59.15 Favored 'General case' 0 N--CA 1.45 -0.444 0 O-C-N 120.929 -1.107 . . . . 0.0 112.807 179.206 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -136.73 9.29 3.09 Favored 'General case' 0 C--N 1.353 0.749 0 O-C-N 119.822 -1.799 . . . . 0.0 115.228 -176.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 p -70.09 -24.84 63.29 Favored 'General case' 0 C--N 1.351 0.659 0 O-C-N 119.535 -1.978 . . . . 0.0 112.047 168.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.0 m -59.44 -32.81 70.56 Favored 'General case' 0 CA--C 1.517 -0.302 0 C-N-CA 126.008 1.723 . . . . 0.0 112.908 171.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -112.36 -39.01 4.52 Favored 'General case' 0 C--N 1.349 0.545 0 O-C-N 121.468 -0.77 . . . . 0.0 112.052 -169.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -103.19 -1.8 28.35 Favored 'General case' 0 C--N 1.349 0.582 0 O-C-N 120.601 -1.312 . . . . 0.0 111.822 -176.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 30.4 m170 . . . . . 0 CA--C 1.51 -0.583 0 O-C-N 120.43 -1.419 . . . . 0.0 110.327 176.815 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.05 0 N-CA-C 110.315 -1.114 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.5 tt -59.17 -37.38 68.17 Favored 'Isoleucine or valine' 0 C--N 1.346 0.44 0 C-N-CA 125.332 1.453 . . . . 0.0 113.456 -176.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.61 -29.99 61.75 Favored Glycine 0 C--N 1.355 1.625 0 C-N-CA 125.227 1.394 . . . . 0.0 114.032 175.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.34 -1.27 74.81 Favored Glycine 0 C--N 1.348 1.228 0 C-N-CA 125.009 1.29 . . . . 0.0 114.153 -178.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.36 -29.62 2.69 Favored 'General case' 0 C--N 1.346 0.447 0 O-C-N 121.193 -1.181 . . . . 0.0 112.516 168.202 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 29.4 pt -72.35 -42.84 65.24 Favored 'Isoleucine or valine' 0 C--N 1.356 0.873 0 O-C-N 119.505 -1.997 . . . . 0.0 113.785 173.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 84.9 mt -77.52 -22.98 50.32 Favored 'General case' 0 C--N 1.354 0.795 0 O-C-N 119.658 -1.902 . . . . 0.0 111.492 -178.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.0 m -71.4 -14.53 62.2 Favored 'General case' 0 CA--C 1.51 -0.56 0 C-N-CA 125.807 1.643 . . . . 0.0 113.168 178.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.71 -49.3 1.29 Allowed Glycine 0 C--N 1.35 1.349 0 O-C-N 121.354 -0.841 . . . . 0.0 111.587 160.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -66.0 -45.26 82.21 Favored 'General case' 0 C--N 1.349 0.563 0 N-CA-C 115.435 1.643 . . . . 0.0 115.435 -170.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.8 mmtm -91.58 -20.1 22.03 Favored 'General case' 0 C--N 1.347 0.461 0 O-C-N 119.491 -2.005 . . . . 0.0 111.294 -179.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 51.9 m -63.81 -45.3 90.25 Favored 'General case' 0 CA--C 1.51 -0.568 0 O-C-N 121.257 -0.902 . . . . 0.0 111.604 167.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.29 -47.07 77.92 Favored 'General case' 0 C--N 1.349 0.581 0 O-C-N 120.878 -1.139 . . . . 0.0 113.592 172.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 24.6 tp -71.92 -26.17 62.2 Favored 'General case' 0 C--N 1.35 0.596 0 N-CA-C 114.746 1.388 . . . . 0.0 114.746 -174.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.21 -70.52 0.79 Allowed 'General case' 0 CA--C 1.51 -0.596 0 O-C-N 120.331 -1.481 . . . . 0.0 111.925 177.394 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -50.77 -58.97 8.47 Favored Glycine 0 C--N 1.351 1.387 0 N-CA-C 116.492 1.357 . . . . 0.0 116.492 -175.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.17 -40.47 97.62 Favored 'General case' 0 C--N 1.345 0.396 0 O-C-N 121.028 -1.278 . . . . 0.0 112.797 178.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.57 -39.45 88.05 Favored 'General case' 0 N--CA 1.446 -0.673 0 N-CA-C 113.949 1.092 . . . . 0.0 113.949 173.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.484 ' HZ1' ' CD ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -63.37 -44.29 95.2 Favored 'General case' 0 C--N 1.354 0.776 0 O-C-N 120.318 -1.489 . . . . 0.0 111.967 173.72 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.484 ' CD ' ' HZ1' ' A' ' 19' ' ' LYS . 8.9 mm-40 -69.43 -43.24 73.76 Favored 'General case' 0 C--N 1.345 0.38 0 O-C-N 120.758 -1.214 . . . . 0.0 113.004 179.16 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.2 tt -62.24 -43.02 99.77 Favored 'General case' 0 C--N 1.348 0.532 0 O-C-N 120.941 -1.099 . . . . 0.0 113.517 175.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.51 13.85 28.51 Favored 'General case' 0 N--CA 1.445 -0.69 0 O-C-N 120.405 -1.434 . . . . 0.0 112.559 -176.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.7 t -60.13 -39.57 86.72 Favored 'General case' 0 C--N 1.352 0.685 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 -167.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.4 m -75.06 -18.34 60.32 Favored 'General case' 0 C--N 1.341 0.226 0 C-N-CA 124.061 0.944 . . . . 0.0 112.544 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -112.51 -39.15 4.44 Favored 'General case' 0 C--N 1.346 0.415 0 O-C-N 120.967 -1.083 . . . . 0.0 112.431 -164.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -110.0 15.43 22.55 Favored 'General case' 0 C--N 1.346 0.44 0 O-C-N 120.896 -1.128 . . . . 0.0 110.934 -172.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 84.6 t60 . . . . . 0 C--N 1.346 0.454 0 O-C-N 120.219 -1.551 . . . . 0.0 111.198 175.288 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.498 -1.009 0 N-CA-C 110.345 -1.102 . . . . 0.0 110.345 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.4 tt -57.94 -38.57 67.27 Favored 'Isoleucine or valine' 0 C--N 1.346 0.436 0 C-N-CA 125.744 1.618 . . . . 0.0 113.298 -174.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -46.48 -44.25 15.93 Favored Glycine 0 C--N 1.354 1.573 0 C-N-CA 126.203 1.859 . . . . 0.0 114.74 172.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.6 -4.65 85.21 Favored Glycine 0 C--N 1.347 1.186 0 O-C-N 121.747 -0.854 . . . . 0.0 114.56 -176.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.78 -5.69 10.15 Favored 'General case' 0 N--CA 1.45 -0.457 0 O-C-N 120.828 -1.395 . . . . 0.0 113.239 170.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 32.4 pt -90.11 -52.22 10.9 Favored 'Isoleucine or valine' 0 C--N 1.354 0.763 0 O-C-N 120.397 -1.439 . . . . 0.0 113.006 162.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 96.6 mt -66.66 -32.71 74.2 Favored 'General case' 0 C--N 1.355 0.81 0 O-C-N 120.2 -1.563 . . . . 0.0 113.009 -170.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.8 m -63.54 -15.58 58.37 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 126.56 1.944 . . . . 0.0 114.375 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.61 -49.21 0.98 Allowed Glycine 0 C--N 1.352 1.465 0 O-C-N 121.333 -0.854 . . . . 0.0 111.763 158.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -63.09 -32.87 74.34 Favored 'General case' 0 C--N 1.348 0.517 0 C-N-CA 126.142 1.777 . . . . 0.0 115.591 -167.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.7 mmtm -114.86 -14.89 11.9 Favored 'General case' 0 C--N 1.346 0.418 0 O-C-N 119.27 -2.144 . . . . 0.0 113.181 173.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 60.6 m -61.88 -42.14 98.7 Favored 'General case' 0 CA--C 1.51 -0.57 0 O-C-N 120.576 -1.328 . . . . 0.0 111.634 167.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.05 -19.39 65.67 Favored 'General case' 0 C--N 1.35 0.602 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 178.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.8 tp -112.29 -8.15 13.96 Favored 'General case' 0 C--N 1.35 0.608 0 O-C-N 120.74 -1.225 . . . . 0.0 111.737 -173.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.1 tptm -118.41 -70.83 0.77 Allowed 'General case' 0 C--N 1.348 0.51 0 O-C-N 120.109 -1.62 . . . . 0.0 110.879 172.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.76 -61.52 7.36 Favored Glycine 0 C--N 1.355 1.609 0 C-N-CA 123.77 0.7 . . . . 0.0 114.312 -178.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.35 -36.62 84.31 Favored 'General case' 0 C--N 1.347 0.489 0 CA-C-O 122.336 1.065 . . . . 0.0 112.623 -178.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.56 -44.71 96.53 Favored 'General case' 0 N--CA 1.446 -0.66 0 O-C-N 120.435 -1.416 . . . . 0.0 114.073 176.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.71 -17.45 41.29 Favored 'General case' 0 C--N 1.353 0.721 0 O-C-N 120.191 -1.568 . . . . 0.0 112.396 176.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -70.39 -50.47 38.37 Favored 'General case' 0 N--CA 1.452 -0.341 0 O-C-N 120.329 -1.482 . . . . 0.0 112.191 169.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.1 tt -68.39 -45.74 71.87 Favored 'General case' 0 C--N 1.349 0.553 0 O-C-N 120.792 -1.192 . . . . 0.0 113.255 176.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.65 28.26 3.49 Favored 'General case' 0 N--CA 1.448 -0.571 0 O-C-N 119.988 -1.695 . . . . 0.0 111.49 -175.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.3 t -58.03 -45.9 86.21 Favored 'General case' 0 C--N 1.35 0.605 0 N-CA-C 115.779 1.77 . . . . 0.0 115.779 -165.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.6 m -65.21 -43.49 91.36 Favored 'General case' 0 CA--C 1.514 -0.436 0 C-N-CA 125.234 1.414 . . . . 0.0 112.888 176.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -69.54 -40.68 76.72 Favored 'General case' 0 C--N 1.344 0.363 0 C-N-CA 124.529 1.131 . . . . 0.0 113.452 -176.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.4 mp -98.11 8.47 44.74 Favored 'General case' 0 C--N 1.345 0.408 0 O-C-N 121.331 -0.855 . . . . 0.0 111.406 -175.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 . . . . . 0 C--N 1.35 0.623 0 N-CA-C 116.597 2.073 . . . . 0.0 116.597 172.542 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.498 -1.018 0 N-CA-C 110.375 -1.09 . . . . 0.0 110.375 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.1 tt -58.56 -36.26 58.75 Favored 'Isoleucine or valine' 0 C--N 1.346 0.42 0 C-N-CA 125.784 1.634 . . . . 0.0 113.642 -174.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -59.42 -31.47 70.29 Favored Glycine 0 C--N 1.353 1.511 0 O-C-N 120.718 -1.239 . . . . 0.0 114.3 175.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.63 -4.58 89.35 Favored Glycine 0 C--N 1.35 1.312 0 O-C-N 121.697 -0.884 . . . . 0.0 113.35 177.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -98.05 -55.7 2.7 Favored 'General case' 0 N--CA 1.445 -0.696 0 O-C-N 121.102 -1.234 . . . . 0.0 109.725 168.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 28.6 pt -70.75 -42.18 77.59 Favored 'Isoleucine or valine' 0 C--N 1.351 0.66 0 N-CA-C 115.384 1.624 . . . . 0.0 115.384 -174.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 87.9 mt -77.4 -20.63 54.37 Favored 'General case' 0 C--N 1.354 0.785 0 O-C-N 119.345 -2.097 . . . . 0.0 111.659 -176.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.4 m -71.91 -14.3 61.89 Favored 'General case' 0 CA--C 1.512 -0.503 0 C-N-CA 125.421 1.488 . . . . 0.0 112.671 176.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.97 -47.87 1.54 Allowed Glycine 0 C--N 1.35 1.361 0 O-C-N 121.324 -0.86 . . . . 0.0 111.908 161.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -66.86 -48.7 68.01 Favored 'General case' 0 C--N 1.35 0.599 0 N-CA-C 115.388 1.625 . . . . 0.0 115.388 -171.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm -74.68 -36.79 62.78 Favored 'General case' 0 C--N 1.35 0.592 0 O-C-N 119.673 -1.892 . . . . 0.0 111.396 177.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.8 m -59.85 -43.55 94.59 Favored 'General case' 0 CA--C 1.511 -0.555 0 C-N-CA 124.701 1.201 . . . . 0.0 112.709 175.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.79 -48.28 75.03 Favored 'General case' 0 C--N 1.347 0.487 0 O-C-N 120.08 -1.638 . . . . 0.0 113.191 170.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 46.2 tp -62.91 -41.81 99.57 Favored 'General case' 0 C--N 1.349 0.571 0 N-CA-C 115.517 1.673 . . . . 0.0 115.517 -175.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -146.3 17.69 1.36 Allowed 'General case' 0 N--CA 1.45 -0.467 0 O-C-N 120.008 -1.682 . . . . 0.0 113.862 -174.097 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -100.81 -78.82 1.38 Allowed Glycine 0 C--N 1.346 1.1 0 N-CA-C 107.344 -2.302 . . . . 0.0 107.344 159.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.76 -41.84 87.48 Favored 'General case' 0 N--CA 1.451 -0.421 0 O-C-N 120.989 -1.301 . . . . 0.0 113.595 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.15 12.96 16.34 Favored 'General case' 0 N--CA 1.447 -0.582 0 O-C-N 120.456 -1.403 . . . . 0.0 112.505 174.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.66 -50.4 6.28 Favored 'General case' 0 C--N 1.353 0.757 0 O-C-N 119.546 -1.971 . . . . 0.0 107.849 150.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -59.83 -44.77 93.89 Favored 'General case' 0 C--N 1.355 0.826 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 -176.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 43.6 tp -60.89 -32.7 72.14 Favored 'General case' 0 C--N 1.347 0.485 0 O-C-N 120.853 -1.155 . . . . 0.0 113.603 175.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -98.46 2.08 47.36 Favored 'General case' 0 N--CA 1.445 -0.723 0 O-C-N 120.667 -1.271 . . . . 0.0 112.125 -177.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 t -65.02 -33.91 77.16 Favored 'General case' 0 CA--C 1.509 -0.633 0 N-CA-C 114.835 1.42 . . . . 0.0 114.835 -162.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.3 m -94.54 2.47 55.68 Favored 'General case' 0 C--N 1.342 0.271 0 CA-C-O 121.873 0.844 . . . . 0.0 110.771 -176.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -124.3 -37.64 2.52 Favored 'General case' 0 C--N 1.348 0.514 0 O-C-N 120.723 -1.235 . . . . 0.0 111.201 -170.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -109.14 0.32 19.74 Favored 'General case' 0 C--N 1.347 0.48 0 C-N-CA 123.918 0.887 . . . . 0.0 109.583 177.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 62.3 m-70 . . . . . 0 C--N 1.349 0.553 0 N-CA-C 116.094 1.887 . . . . 0.0 116.094 171.514 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.498 -1.002 0 N-CA-C 110.356 -1.097 . . . . 0.0 110.356 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.1 tt -58.58 -36.48 59.87 Favored 'Isoleucine or valine' 0 C--N 1.346 0.418 0 C-N-CA 125.788 1.635 . . . . 0.0 113.728 -174.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -59.39 -31.72 70.82 Favored Glycine 0 C--N 1.353 1.514 0 O-C-N 120.737 -1.227 . . . . 0.0 114.386 175.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.75 -4.84 89.53 Favored Glycine 0 C--N 1.35 1.308 0 O-C-N 121.69 -0.888 . . . . 0.0 113.341 177.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -97.43 -54.91 2.99 Favored 'General case' 0 N--CA 1.445 -0.718 0 O-C-N 121.102 -1.234 . . . . 0.0 109.835 168.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 28.4 pt -71.49 -42.84 72.7 Favored 'Isoleucine or valine' 0 C--N 1.352 0.684 0 N-CA-C 115.434 1.642 . . . . 0.0 115.434 -174.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 87.4 mt -76.31 -20.52 57.21 Favored 'General case' 0 C--N 1.354 0.778 0 O-C-N 119.406 -2.058 . . . . 0.0 111.61 -176.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.0 m -70.89 -13.53 62.06 Favored 'General case' 0 CA--C 1.513 -0.473 0 C-N-CA 126.133 1.773 . . . . 0.0 112.928 176.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.55 -48.78 1.16 Allowed Glycine 0 C--N 1.351 1.391 0 O-C-N 121.328 -0.858 . . . . 0.0 111.92 158.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -64.33 -40.82 96.66 Favored 'General case' 0 C--N 1.349 0.557 0 N-CA-C 115.568 1.692 . . . . 0.0 115.568 -169.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.9 mmtm -101.34 -18.73 15.93 Favored 'General case' 0 C--N 1.346 0.429 0 O-C-N 119.53 -1.981 . . . . 0.0 111.789 178.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 49.9 m -63.08 -38.18 90.17 Favored 'General case' 0 CA--C 1.511 -0.527 0 C-N-CA 124.202 1.001 . . . . 0.0 112.054 166.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.11 -44.52 94.79 Favored 'General case' 0 N--CA 1.448 -0.555 0 O-C-N 119.934 -1.729 . . . . 0.0 113.323 171.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.2 tp -76.28 -50.01 15.5 Favored 'General case' 0 C--N 1.348 0.524 0 N-CA-C 115.456 1.65 . . . . 0.0 115.456 -179.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.492 ' HZ2' ' HB3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -109.06 3.62 22.24 Favored 'General case' 0 C--N 1.35 0.618 0 O-C-N 120.17 -1.581 . . . . 0.0 111.149 -170.879 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -104.59 -83.96 1.73 Allowed Glycine 0 CA--C 1.496 -1.135 0 N-CA-C 107.948 -2.061 . . . . 0.0 107.948 162.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.43 -51.79 66.14 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 116.12 1.896 . . . . 0.0 116.12 -170.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.39 -49.21 64.85 Favored 'General case' 0 C--N 1.35 0.597 0 N-CA-C 115.441 1.645 . . . . 0.0 115.441 -172.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.492 ' HB3' ' HZ2' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -68.16 -41.03 82.14 Favored 'General case' 0 C--N 1.351 0.652 0 O-C-N 120.54 -1.35 . . . . 0.0 113.01 179.444 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -74.36 -36.98 63.61 Favored 'General case' 0 C--N 1.347 0.476 0 O-C-N 120.252 -1.53 . . . . 0.0 113.345 -178.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 47.8 tp -62.76 -39.57 94.57 Favored 'General case' 0 C--N 1.353 0.748 0 O-C-N 120.215 -1.553 . . . . 0.0 112.977 170.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.96 18.33 6.79 Favored 'General case' 0 N--CA 1.445 -0.71 0 O-C-N 120.385 -1.447 . . . . 0.0 112.607 179.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.9 t -70.88 -17.38 62.72 Favored 'General case' 0 C--N 1.352 0.687 0 O-C-N 119.988 -1.695 . . . . 0.0 114.479 -169.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.9 m -72.66 -20.08 61.32 Favored 'General case' 0 C--N 1.342 0.28 0 O-C-N 121.168 -0.958 . . . . 0.0 111.807 173.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -116.81 -36.19 3.94 Favored 'General case' 0 C--N 1.349 0.562 0 O-C-N 120.993 -1.067 . . . . 0.0 110.969 -170.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -106.48 3.36 27.12 Favored 'General case' 0 C--N 1.348 0.533 0 C-N-CA 124.024 0.929 . . . . 0.0 110.842 -177.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 . . . . . 0 C--N 1.348 0.539 0 N-CA-C 116.645 2.091 . . . . 0.0 116.645 170.582 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.498 -1.015 0 N-CA-C 110.379 -1.089 . . . . 0.0 110.379 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.5 tt -59.03 -37.53 68.37 Favored 'Isoleucine or valine' 0 C--N 1.346 0.414 0 C-N-CA 125.504 1.521 . . . . 0.0 113.492 -175.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.55 -30.13 61.75 Favored Glycine 0 C--N 1.353 1.526 0 C-N-CA 125.252 1.406 . . . . 0.0 114.099 176.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.41 -1.21 75.06 Favored Glycine 0 C--N 1.349 1.293 0 C-N-CA 124.799 1.19 . . . . 0.0 114.117 -178.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.01 -28.51 2.64 Favored 'General case' 0 N--CA 1.449 -0.491 0 O-C-N 121.009 -1.289 . . . . 0.0 112.64 168.596 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 30.2 pt -72.83 -43.24 60.64 Favored 'Isoleucine or valine' 0 C--N 1.356 0.871 0 O-C-N 119.534 -1.979 . . . . 0.0 113.799 172.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 86.6 mt -75.95 -21.19 57.27 Favored 'General case' 0 C--N 1.355 0.835 0 O-C-N 119.55 -1.969 . . . . 0.0 111.466 -178.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.8 m -69.69 -14.09 62.63 Favored 'General case' 0 CA--C 1.514 -0.438 0 C-N-CA 126.487 1.915 . . . . 0.0 113.206 177.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.43 -48.87 1.08 Allowed Glycine 0 C--N 1.352 1.417 0 O-C-N 121.324 -0.86 . . . . 0.0 112.016 157.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -64.12 -34.28 77.68 Favored 'General case' 0 C--N 1.348 0.538 0 N-CA-C 115.554 1.687 . . . . 0.0 115.554 -168.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.2 mmtm -109.15 -18.52 13.61 Favored 'General case' 0 C--N 1.345 0.405 0 O-C-N 118.95 -2.343 . . . . 0.0 112.802 174.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 45.8 m -61.98 -39.14 91.16 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-N 119.515 1.052 . . . . 0.0 112.087 167.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.43 -37.28 70.02 Favored 'General case' 0 C--N 1.348 0.503 0 O-C-N 120.062 -1.649 . . . . 0.0 113.339 173.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 50.1 tp -77.76 -48.2 17.19 Favored 'General case' 0 C--N 1.347 0.466 0 N-CA-C 114.651 1.352 . . . . 0.0 114.651 174.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.528 ' HZ3' ' CD ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -117.39 4.63 12.52 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 120.906 -1.121 . . . . 0.0 113.891 -164.258 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -115.4 -19.65 5.75 Favored Glycine 0 C--N 1.34 0.757 0 O-C-N 119.732 -1.855 . . . . 0.0 111.66 164.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -117.83 -75.55 0.58 Allowed 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 123.623 0.769 . . . . 0.0 111.715 -177.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.72 -45.85 90.9 Favored 'General case' 0 C--N 1.352 0.675 0 N-CA-C 117.004 2.224 . . . . 0.0 117.004 -166.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.77 -37.33 86.05 Favored 'General case' 0 C--N 1.352 0.703 0 O-C-N 120.073 -1.642 . . . . 0.0 112.797 175.336 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.528 ' CD ' ' HZ3' ' A' ' 15' ' ' LYS . 3.6 mp0 -69.53 -41.89 75.36 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 125.498 1.519 . . . . 0.0 112.507 178.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 50.9 tp -61.24 -40.18 93.06 Favored 'General case' 0 C--N 1.346 0.415 0 C-N-CA 125.295 1.438 . . . . 0.0 113.01 171.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.0 4.16 52.8 Favored 'General case' 0 N--CA 1.446 -0.645 0 O-C-N 120.519 -1.363 . . . . 0.0 112.768 -179.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 t -61.86 -37.35 84.18 Favored 'General case' 0 C--N 1.352 0.706 0 C-N-CA 124.713 1.205 . . . . 0.0 113.683 -170.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.8 m -59.83 -37.49 79.35 Favored 'General case' 0 CA--C 1.516 -0.352 0 C-N-CA 125.541 1.537 . . . . 0.0 113.002 175.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -102.84 -27.16 12.83 Favored 'General case' 0 C--N 1.346 0.44 0 O-C-N 121.374 -0.829 . . . . 0.0 112.594 -167.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.0 mp -109.68 -11.13 14.78 Favored 'General case' 0 C--N 1.347 0.496 0 O-C-N 121.061 -1.025 . . . . 0.0 111.545 -177.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 35.3 m80 . . . . . 0 CA--C 1.511 -0.55 0 O-C-N 120.521 -1.362 . . . . 0.0 111.109 -171.636 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.087 0 N-CA-C 110.411 -1.076 . . . . 0.0 110.411 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.0 tt -57.99 -38.53 67.38 Favored 'Isoleucine or valine' 0 C--N 1.345 0.383 0 C-N-CA 125.895 1.678 . . . . 0.0 113.72 -173.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -59.76 -30.79 69.93 Favored Glycine 0 C--N 1.353 1.506 0 O-C-N 120.6 -1.313 . . . . 0.0 114.206 176.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.3 -5.42 85.46 Favored Glycine 0 C--N 1.348 1.249 0 O-C-N 121.28 -1.13 . . . . 0.0 113.798 -177.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.63 15.1 13.64 Favored 'General case' 0 N--CA 1.449 -0.512 0 O-C-N 121.093 -1.24 . . . . 0.0 112.168 172.25 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 22.3 pt -128.62 -41.56 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.83 0 O-C-N 121.185 -0.947 . . . . 0.0 112.456 166.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 94.7 mt -66.58 -33.49 75.78 Favored 'General case' 0 C--N 1.354 0.78 0 O-C-N 119.588 -1.945 . . . . 0.0 111.92 -179.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.3 m -63.32 -11.83 25.1 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 127.648 2.379 . . . . 0.0 114.59 175.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.69 -49.2 0.97 Allowed Glycine 0 C--N 1.352 1.422 0 O-C-N 121.179 -0.951 . . . . 0.0 111.616 159.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -62.62 -39.25 93.22 Favored 'General case' 0 C--N 1.348 0.531 0 N-CA-C 115.624 1.713 . . . . 0.0 115.624 -169.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.2 mmtm -105.71 -15.84 14.85 Favored 'General case' 0 C--N 1.347 0.473 0 O-C-N 119.617 -1.927 . . . . 0.0 112.32 176.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 57.5 m -63.23 -39.64 95.18 Favored 'General case' 0 CA--C 1.511 -0.554 0 O-C-N 121.105 -0.997 . . . . 0.0 111.676 166.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.85 -41.1 77.31 Favored 'General case' 0 C--N 1.348 0.509 0 O-C-N 120.236 -1.54 . . . . 0.0 113.161 173.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 48.9 tp -73.52 -49.85 24.47 Favored 'General case' 0 C--N 1.346 0.448 0 N-CA-C 114.948 1.462 . . . . 0.0 114.948 173.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.4 -3.51 16.08 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 120.256 -1.527 . . . . 0.0 113.685 -164.276 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -114.0 -19.98 6.18 Favored Glycine 0 CA--C 1.5 -0.851 0 O-C-N 119.885 -1.759 . . . . 0.0 111.885 171.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -115.1 -75.76 0.58 Allowed 'General case' 0 N--CA 1.445 -0.711 0 O-C-N 121.901 -0.764 . . . . 0.0 111.049 177.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.55 -44.77 89.77 Favored 'General case' 0 C--N 1.351 0.652 0 N-CA-C 116.743 2.127 . . . . 0.0 116.743 -164.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? -62.94 -43.66 98.19 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 120.442 -1.411 . . . . 0.0 112.907 174.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -70.94 -36.76 72.73 Favored 'General case' 0 C--N 1.346 0.419 0 O-C-N 120.922 -1.111 . . . . 0.0 112.83 -178.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.2 tt -60.42 -40.84 92.47 Favored 'General case' 0 C--N 1.347 0.474 0 C-N-CA 124.992 1.317 . . . . 0.0 112.538 170.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -92.68 12.82 22.0 Favored 'General case' 0 N--CA 1.446 -0.652 0 O-C-N 120.57 -1.331 . . . . 0.0 112.762 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.0 t -60.64 -31.88 71.07 Favored 'General case' 0 C--N 1.353 0.727 0 O-C-N 120.491 -1.381 . . . . 0.0 114.562 -170.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.3 m -58.22 -38.92 77.74 Favored 'General case' 0 C--N 1.342 0.281 0 C-N-CA 124.737 1.215 . . . . 0.0 113.006 174.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -105.21 -21.95 13.16 Favored 'General case' 0 C--N 1.347 0.481 0 O-C-N 121.16 -0.963 . . . . 0.0 112.423 -171.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -112.5 7.81 19.12 Favored 'General case' 0 C--N 1.349 0.551 0 O-C-N 120.894 -1.129 . . . . 0.0 110.901 -176.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.9 t-160 . . . . . 0 CA--C 1.512 -0.491 0 O-C-N 120.332 -1.48 . . . . 0.0 109.806 178.944 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.055 0 N-CA-C 110.39 -1.084 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.9 tt -58.78 -36.77 62.48 Favored 'Isoleucine or valine' 0 C--N 1.346 0.449 0 C-N-CA 125.634 1.574 . . . . 0.0 113.619 -174.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.15 -31.47 62.04 Favored Glycine 0 C--N 1.353 1.528 0 O-C-N 120.667 -1.271 . . . . 0.0 114.051 175.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.45 -2.3 84.08 Favored Glycine 0 C--N 1.349 1.272 0 C-N-CA 124.694 1.14 . . . . 0.0 114.21 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.54 -20.95 4.99 Favored 'General case' 0 C--N 1.348 0.509 0 O-C-N 120.904 -1.351 . . . . 0.0 112.906 170.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 27.8 pt -84.73 -44.07 17.42 Favored 'Isoleucine or valine' 0 C--N 1.355 0.829 0 O-C-N 120.197 -1.564 . . . . 0.0 113.203 171.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 87.2 mt -76.17 -22.19 55.67 Favored 'General case' 0 C--N 1.355 0.829 0 O-C-N 119.413 -2.055 . . . . 0.0 111.545 -176.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.7 m -69.71 -12.88 61.98 Favored 'General case' 0 CA--C 1.514 -0.442 0 C-N-CA 126.495 1.918 . . . . 0.0 113.247 175.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.58 -48.44 1.19 Allowed Glycine 0 C--N 1.352 1.42 0 O-C-N 121.405 -0.809 . . . . 0.0 111.576 159.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.4 tt -63.75 -42.75 97.8 Favored 'General case' 0 C--N 1.348 0.509 0 N-CA-C 115.783 1.771 . . . . 0.0 115.783 -170.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.4 mmtm -99.27 -19.4 17.1 Favored 'General case' 0 C--N 1.346 0.44 0 O-C-N 119.704 -1.873 . . . . 0.0 111.446 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.4 m -63.38 -39.35 94.28 Favored 'General case' 0 CA--C 1.51 -0.563 0 C-N-CA 124.165 0.986 . . . . 0.0 111.975 166.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.01 -45.78 93.42 Favored 'General case' 0 N--CA 1.448 -0.527 0 O-C-N 119.942 -1.723 . . . . 0.0 113.197 171.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.8 tp -73.17 -49.44 28.13 Favored 'General case' 0 C--N 1.348 0.502 0 N-CA-C 115.921 1.823 . . . . 0.0 115.921 -178.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.486 ' HZ2' ' HB3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -113.18 4.39 16.51 Favored 'General case' 0 C--N 1.35 0.619 0 O-C-N 120.07 -1.643 . . . . 0.0 111.222 -171.169 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -102.89 -81.43 1.54 Allowed Glycine 0 CA--C 1.495 -1.167 0 N-CA-C 107.909 -2.076 . . . . 0.0 107.909 163.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.73 -52.47 56.85 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 116.225 1.935 . . . . 0.0 116.225 -172.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.09 -48.85 66.94 Favored 'General case' 0 C--N 1.35 0.622 0 N-CA-C 116.044 1.868 . . . . 0.0 116.044 -168.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.486 ' HB3' ' HZ2' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -67.69 -40.0 84.4 Favored 'General case' 0 C--N 1.35 0.615 0 O-C-N 120.464 -1.397 . . . . 0.0 112.888 179.651 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.3 mp0 -74.26 -37.2 63.82 Favored 'General case' 0 C--N 1.346 0.438 0 O-C-N 120.395 -1.441 . . . . 0.0 113.049 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.2 tt -63.37 -41.54 98.82 Favored 'General case' 0 C--N 1.353 0.731 0 O-C-N 120.086 -1.634 . . . . 0.0 112.893 170.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.6 18.11 6.72 Favored 'General case' 0 N--CA 1.447 -0.581 0 O-C-N 120.346 -1.471 . . . . 0.0 112.392 -179.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.4 t -68.97 -16.13 63.66 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 120.382 -1.449 . . . . 0.0 114.268 -169.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.6 m -59.85 -36.59 77.18 Favored 'General case' 0 C--N 1.342 0.27 0 C-N-CA 124.551 1.14 . . . . 0.0 112.831 170.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -123.33 -27.09 4.16 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 121.19 -0.944 . . . . 0.0 112.908 -171.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -107.87 18.36 21.39 Favored 'General case' 0 C--N 1.347 0.493 0 O-C-N 120.229 -1.544 . . . . 0.0 111.189 -172.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 60.9 t60 . . . . . 0 C--N 1.347 0.48 0 O-C-N 119.891 -1.756 . . . . 0.0 112.254 177.828 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.043 0 N-CA-C 110.282 -1.127 . . . . 0.0 110.282 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.5 tt -59.05 -37.27 66.89 Favored 'Isoleucine or valine' 0 C--N 1.346 0.421 0 C-N-CA 125.565 1.546 . . . . 0.0 113.471 -175.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.49 -30.0 61.41 Favored Glycine 0 C--N 1.354 1.576 0 C-N-CA 125.306 1.431 . . . . 0.0 114.105 176.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.47 -1.51 76.51 Favored Glycine 0 C--N 1.349 1.299 0 C-N-CA 124.784 1.183 . . . . 0.0 114.13 -178.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.35 -29.61 2.7 Favored 'General case' 0 C--N 1.348 0.51 0 O-C-N 121.114 -1.227 . . . . 0.0 112.494 168.621 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 29.3 pt -72.01 -42.66 68.19 Favored 'Isoleucine or valine' 0 C--N 1.356 0.884 0 O-C-N 119.539 -1.976 . . . . 0.0 113.736 173.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 86.6 mt -77.18 -22.97 51.6 Favored 'General case' 0 C--N 1.354 0.78 0 O-C-N 119.61 -1.931 . . . . 0.0 111.659 -179.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.8 m -71.67 -15.37 62.22 Favored 'General case' 0 CA--C 1.512 -0.491 0 C-N-CA 125.653 1.581 . . . . 0.0 112.92 178.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.51 -47.11 1.71 Allowed Glycine 0 C--N 1.35 1.344 0 O-C-N 121.352 -0.843 . . . . 0.0 111.587 161.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.9 tt -65.98 -46.66 77.24 Favored 'General case' 0 C--N 1.348 0.528 0 N-CA-C 115.685 1.735 . . . . 0.0 115.685 -172.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.6 mmtm -83.05 -25.99 31.58 Favored 'General case' 0 C--N 1.348 0.516 0 O-C-N 119.607 -1.933 . . . . 0.0 111.556 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 32.8 m -62.88 -45.42 92.65 Favored 'General case' 0 CA--C 1.511 -0.529 0 C-N-CA 124.039 0.936 . . . . 0.0 111.808 170.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.86 -45.78 80.87 Favored 'General case' 0 C--N 1.348 0.529 0 O-C-N 120.436 -1.415 . . . . 0.0 113.595 170.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.5 tp -64.2 -40.24 95.67 Favored 'General case' 0 C--N 1.35 0.598 0 N-CA-C 115.524 1.675 . . . . 0.0 115.524 -176.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.31 -26.99 0.98 Allowed 'General case' 0 C--N 1.351 0.656 0 O-C-N 120.304 -1.497 . . . . 0.0 114.685 -177.421 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.37 -59.52 9.47 Favored Glycine 0 C--N 1.354 1.567 0 CA-C-N 121.887 2.13 . . . . 0.0 115.457 164.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.77 -35.41 80.5 Favored 'General case' 0 N--CA 1.449 -0.485 0 O-C-N 120.761 -1.435 . . . . 0.0 112.299 177.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -88.39 14.01 10.55 Favored 'General case' 0 N--CA 1.444 -0.741 0 O-C-N 120.922 -1.111 . . . . 0.0 112.548 178.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -94.07 -60.77 1.66 Allowed 'General case' 0 C--N 1.349 0.553 0 N-CA-C 106.853 -1.536 . . . . 0.0 106.853 150.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.05 -36.9 83.0 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 -166.442 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -102.51 -0.89 31.55 Favored 'General case' 0 C--N 1.346 0.447 0 O-C-N 120.768 -1.208 . . . . 0.0 112.817 176.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -137.11 9.04 2.98 Favored 'General case' 0 C--N 1.354 0.769 0 N-CA-C 116.019 1.859 . . . . 0.0 116.019 -174.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.2 m -63.63 -36.98 85.63 Favored 'General case' 0 C--N 1.349 0.577 0 O-C-N 119.868 -1.77 . . . . 0.0 112.401 176.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.0 m -57.38 -39.64 76.49 Favored 'General case' 0 C--N 1.344 0.35 0 C-N-CA 125.385 1.474 . . . . 0.0 113.316 176.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -100.49 -12.6 19.19 Favored 'General case' 0 C--N 1.347 0.492 0 O-C-N 121.076 -1.015 . . . . 0.0 112.796 -168.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -115.81 3.93 13.86 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 121.101 -0.999 . . . . 0.0 110.67 178.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 . . . . . 0 CA--C 1.511 -0.521 0 O-C-N 120.795 -1.191 . . . . 0.0 109.63 179.892 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.059 0 N-CA-C 109.994 -1.242 . . . . 0.0 109.994 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.4 tt -60.28 -38.1 76.23 Favored 'Isoleucine or valine' 0 C--N 1.346 0.415 0 C-N-CA 125.402 1.481 . . . . 0.0 113.41 -178.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -66.21 -26.96 72.64 Favored Glycine 0 C--N 1.351 1.407 0 C-N-CA 124.148 0.88 . . . . 0.0 114.257 173.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.2 -40.84 70.7 Favored Glycine 0 C--N 1.349 1.256 0 O-C-N 120.71 -1.465 . . . . 0.0 113.167 -173.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.75 -42.04 91.4 Favored 'General case' 0 C--N 1.346 0.446 0 O-C-N 121.11 -1.229 . . . . 0.0 114.02 176.274 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 38.3 pt -68.57 -42.33 83.46 Favored 'Isoleucine or valine' 0 C--N 1.354 0.792 0 O-C-N 120.267 -1.521 . . . . 0.0 113.276 174.156 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 79.7 mt -64.01 -39.91 95.17 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 120.33 -1.481 . . . . 0.0 113.158 175.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.3 t -60.71 -45.23 95.01 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 123.541 0.736 . . . . 0.0 112.709 174.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.55 -41.5 84.19 Favored Glycine 0 C--N 1.353 1.511 0 O-C-N 120.53 -1.357 . . . . 0.0 113.279 177.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.92 -46.73 83.48 Favored 'General case' 0 C--N 1.347 0.499 0 O-C-N 121.441 -1.035 . . . . 0.0 112.898 175.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -66.41 -40.61 89.67 Favored 'General case' 0 C--N 1.35 0.59 0 O-C-N 120.114 -1.616 . . . . 0.0 113.236 175.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 92.8 m -61.61 -44.42 97.03 Favored 'General case' 0 C--N 1.348 0.528 0 O-C-N 121.477 -0.765 . . . . 0.0 111.843 176.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.71 -47.22 81.99 Favored 'General case' 0 N--CA 1.449 -0.498 0 O-C-N 120.427 -1.421 . . . . 0.0 113.729 173.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.4 tp -66.84 -42.38 85.88 Favored 'General case' 0 C--N 1.347 0.496 0 N-CA-C 115.563 1.69 . . . . 0.0 115.563 -178.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -154.67 22.44 0.46 Allowed 'General case' 0 N--CA 1.45 -0.455 0 O-C-N 119.762 -1.836 . . . . 0.0 112.665 -168.035 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -105.66 -76.37 1.04 Allowed Glycine 0 C--N 1.348 1.247 0 N-CA-C 108.273 -1.931 . . . . 0.0 108.273 164.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.5 -41.92 95.31 Favored 'General case' 0 N--CA 1.449 -0.505 0 O-C-N 120.669 -1.489 . . . . 0.0 112.358 174.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.54 17.98 6.81 Favored 'General case' 0 N--CA 1.448 -0.573 0 O-C-N 120.832 -1.168 . . . . 0.0 112.4 174.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.9 tttm -93.25 -58.78 2.2 Favored 'General case' 0 C--N 1.349 0.578 0 O-C-N 120.265 -1.522 . . . . 0.0 108.063 150.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.56 -43.17 97.55 Favored 'General case' 0 C--N 1.345 0.396 0 N-CA-C 114.986 1.476 . . . . 0.0 114.986 -174.17 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 34.4 tp -74.13 -17.19 60.96 Favored 'General case' 0 C--N 1.347 0.484 0 O-C-N 120.166 -1.584 . . . . 0.0 112.624 177.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -106.11 -1.96 23.17 Favored 'General case' 0 N--CA 1.444 -0.756 0 O-C-N 120.442 -1.411 . . . . 0.0 112.325 -178.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.4 t -62.16 -40.62 96.59 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 120.863 -1.148 . . . . 0.0 113.878 -164.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.3 m -59.54 -38.59 81.46 Favored 'General case' 0 C--N 1.345 0.406 0 C-N-CA 125.399 1.48 . . . . 0.0 112.674 175.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -93.55 -0.89 56.08 Favored 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 120.892 -1.13 . . . . 0.0 111.432 -168.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -112.65 12.96 19.86 Favored 'General case' 0 C--N 1.345 0.395 0 C-N-CA 124.909 1.284 . . . . 0.0 108.192 168.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 60.3 t-80 . . . . . 0 N--CA 1.448 -0.533 0 O-C-N 120.927 -1.108 . . . . 0.0 109.75 179.471 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.04 0 N-CA-C 110.374 -1.091 . . . . 0.0 110.374 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.0 tt -58.39 -35.35 53.61 Favored 'Isoleucine or valine' 0 C--N 1.345 0.401 0 C-N-CA 125.939 1.695 . . . . 0.0 113.653 -174.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.69 -31.89 68.41 Favored Glycine 0 C--N 1.353 1.499 0 O-C-N 120.857 -1.152 . . . . 0.0 114.484 175.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.5 -4.74 89.3 Favored Glycine 0 C--N 1.35 1.313 0 O-C-N 121.692 -0.887 . . . . 0.0 113.308 177.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 54.4 tttp -98.54 -55.79 2.64 Favored 'General case' 0 N--CA 1.444 -0.744 0 O-C-N 121.169 -1.195 . . . . 0.0 109.807 168.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 27.6 pt -70.51 -42.21 78.18 Favored 'Isoleucine or valine' 0 C--N 1.352 0.687 0 N-CA-C 115.365 1.617 . . . . 0.0 115.365 -174.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 83.7 mt -77.49 -20.56 54.16 Favored 'General case' 0 C--N 1.353 0.755 0 O-C-N 119.501 -1.999 . . . . 0.0 111.614 -176.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.2 m -72.05 -14.38 61.85 Favored 'General case' 0 CA--C 1.513 -0.477 0 C-N-CA 125.568 1.547 . . . . 0.0 112.733 176.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.01 -48.74 1.32 Allowed Glycine 0 C--N 1.351 1.366 0 O-C-N 121.304 -0.873 . . . . 0.0 111.696 160.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -66.58 -47.26 73.3 Favored 'General case' 0 C--N 1.348 0.543 0 N-CA-C 115.23 1.567 . . . . 0.0 115.23 -171.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.7 mmtm -85.46 -23.13 27.95 Favored 'General case' 0 C--N 1.348 0.504 0 O-C-N 119.472 -2.018 . . . . 0.0 111.383 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 45.2 m -62.63 -45.97 90.38 Favored 'General case' 0 CA--C 1.512 -0.513 0 O-C-N 121.205 -0.935 . . . . 0.0 111.709 169.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.12 -47.07 75.33 Favored 'General case' 0 C--N 1.348 0.522 0 O-C-N 120.399 -1.438 . . . . 0.0 113.598 171.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 29.1 tp -74.34 -20.35 60.13 Favored 'General case' 0 C--N 1.349 0.562 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 -172.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -143.32 -21.37 0.62 Allowed 'General case' 0 C--N 1.349 0.576 0 O-C-N 119.649 -1.907 . . . . 0.0 115.721 178.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.28 -57.65 3.59 Favored Glycine 0 C--N 1.352 1.448 0 CA-C-N 121.021 1.737 . . . . 0.0 112.55 171.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.3 -40.57 96.71 Favored 'General case' 0 C--N 1.346 0.434 0 O-C-N 120.497 -1.59 . . . . 0.0 111.396 174.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -83.79 24.1 0.92 Allowed 'General case' 0 N--CA 1.443 -0.797 0 O-C-N 121.273 -0.892 . . . . 0.0 113.097 170.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -101.64 -60.85 1.46 Allowed 'General case' 0 C--N 1.35 0.604 0 O-C-N 119.049 -2.282 . . . . 0.0 107.22 150.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -57.17 -41.59 79.55 Favored 'General case' 0 C--N 1.343 0.321 0 N-CA-C 115.061 1.504 . . . . 0.0 115.061 -175.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 35.7 tp -75.97 -17.71 59.61 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 120.491 -1.381 . . . . 0.0 112.875 175.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -100.91 -21.78 14.99 Favored 'General case' 0 N--CA 1.448 -0.574 0 O-C-N 120.03 -1.669 . . . . 0.0 113.029 -176.003 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.8 m -60.83 -32.45 71.83 Favored 'General case' 0 C--N 1.349 0.585 0 O-C-N 120.31 -1.494 . . . . 0.0 113.253 -178.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.0 m -56.75 -37.31 70.85 Favored 'General case' 0 C--N 1.342 0.258 0 C-N-CA 124.61 1.164 . . . . 0.0 113.277 172.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -107.52 -25.9 11.17 Favored 'General case' 0 C--N 1.349 0.55 0 O-C-N 121.271 -0.893 . . . . 0.0 112.924 -171.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -109.76 -4.79 15.86 Favored 'General case' 0 C--N 1.349 0.578 0 O-C-N 120.783 -1.198 . . . . 0.0 111.959 -176.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 31.3 m170 . . . . . 0 CA--C 1.509 -0.606 0 O-C-N 120.379 -1.45 . . . . 0.0 109.871 177.872 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.038 0 N-CA-C 110.289 -1.124 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.5 tt -59.05 -37.34 67.37 Favored 'Isoleucine or valine' 0 C--N 1.345 0.4 0 C-N-CA 125.527 1.531 . . . . 0.0 113.446 -176.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.75 -29.6 61.71 Favored Glycine 0 C--N 1.354 1.557 0 C-N-CA 125.256 1.408 . . . . 0.0 114.057 175.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.39 -1.43 75.77 Favored Glycine 0 C--N 1.349 1.299 0 C-N-CA 124.827 1.203 . . . . 0.0 114.081 -179.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.54 -29.69 2.64 Favored 'General case' 0 C--N 1.348 0.504 0 O-C-N 121.128 -1.219 . . . . 0.0 112.65 168.574 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 29.1 pt -72.32 -42.82 65.52 Favored 'Isoleucine or valine' 0 C--N 1.356 0.872 0 O-C-N 119.467 -2.021 . . . . 0.0 113.696 173.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 87.4 mt -77.67 -22.39 50.63 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 119.503 -1.998 . . . . 0.0 111.453 -179.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.6 m -71.92 -14.74 62.01 Favored 'General case' 0 CA--C 1.512 -0.508 0 C-N-CA 125.506 1.522 . . . . 0.0 112.918 177.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.67 -46.99 1.86 Allowed Glycine 0 C--N 1.35 1.347 0 O-C-N 121.347 -0.845 . . . . 0.0 111.728 162.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.3 tt -66.05 -48.93 69.44 Favored 'General case' 0 C--N 1.35 0.59 0 N-CA-C 115.457 1.651 . . . . 0.0 115.457 -172.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -73.78 -37.55 64.93 Favored 'General case' 0 C--N 1.348 0.535 0 O-C-N 119.932 -1.73 . . . . 0.0 111.27 179.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.8 m -60.38 -43.41 96.63 Favored 'General case' 0 CA--C 1.511 -0.554 0 C-N-CA 125.212 1.405 . . . . 0.0 112.61 175.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.12 -47.76 78.72 Favored 'General case' 0 C--N 1.347 0.475 0 O-C-N 119.984 -1.698 . . . . 0.0 113.061 170.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 47.9 tp -62.51 -40.8 97.89 Favored 'General case' 0 C--N 1.349 0.583 0 N-CA-C 115.722 1.749 . . . . 0.0 115.722 -176.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -149.71 21.49 0.91 Allowed 'General case' 0 N--CA 1.451 -0.391 0 O-C-N 119.745 -1.847 . . . . 0.0 112.621 -173.031 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -106.62 -74.36 0.9 Allowed Glycine 0 C--N 1.346 1.115 0 N-CA-C 107.693 -2.163 . . . . 0.0 107.693 161.199 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.95 -44.42 94.42 Favored 'General case' 0 N--CA 1.45 -0.444 0 O-C-N 120.72 -1.459 . . . . 0.0 112.867 176.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.87 20.66 4.63 Favored 'General case' 0 C--N 1.349 0.561 0 O-C-N 120.538 -1.351 . . . . 0.0 112.439 173.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 37.9 tttm -92.96 -56.85 2.83 Favored 'General case' 0 C--N 1.349 0.545 0 O-C-N 120.075 -1.641 . . . . 0.0 108.347 150.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.89 -40.74 98.48 Favored 'General case' 0 C--N 1.345 0.388 0 N-CA-C 114.976 1.473 . . . . 0.0 114.976 -176.283 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 35.4 tp -74.35 -16.8 60.9 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 120.116 -1.615 . . . . 0.0 112.49 175.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -102.1 3.25 38.41 Favored 'General case' 0 N--CA 1.447 -0.607 0 O-C-N 120.23 -1.544 . . . . 0.0 111.605 179.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.6 p -61.26 -48.43 81.45 Favored 'General case' 0 C--N 1.348 0.525 0 N-CA-C 115.328 1.603 . . . . 0.0 115.328 -165.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 98.3 m -69.66 -45.9 67.34 Favored 'General case' 0 CA--C 1.515 -0.382 0 O-C-N 120.92 -1.113 . . . . 0.0 111.401 175.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -66.16 -40.5 90.59 Favored 'General case' 0 C--N 1.345 0.398 0 N-CA-C 115.374 1.62 . . . . 0.0 115.374 -172.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -108.81 5.52 24.67 Favored 'General case' 0 C--N 1.347 0.458 0 O-C-N 121.221 -0.924 . . . . 0.0 110.751 -176.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 21.6 t-160 . . . . . 0 CA--C 1.512 -0.486 0 O-C-N 120.732 -1.23 . . . . 0.0 109.792 179.172 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.498 -1.024 0 N-CA-C 110.412 -1.075 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.1 tt -58.61 -36.13 58.39 Favored 'Isoleucine or valine' 0 C--N 1.345 0.388 0 C-N-CA 125.835 1.654 . . . . 0.0 113.709 -174.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -59.15 -31.69 69.76 Favored Glycine 0 C--N 1.353 1.519 0 O-C-N 120.822 -1.174 . . . . 0.0 114.326 175.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.59 -5.26 89.38 Favored Glycine 0 C--N 1.35 1.317 0 O-C-N 121.584 -0.951 . . . . 0.0 113.353 177.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -96.91 -54.49 3.18 Favored 'General case' 0 N--CA 1.445 -0.69 0 O-C-N 120.944 -1.327 . . . . 0.0 109.918 167.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 30.1 pt -71.59 -43.19 71.65 Favored 'Isoleucine or valine' 0 C--N 1.351 0.65 0 N-CA-C 115.329 1.603 . . . . 0.0 115.329 -174.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 86.7 mt -76.19 -19.75 58.14 Favored 'General case' 0 C--N 1.354 0.802 0 O-C-N 119.459 -2.026 . . . . 0.0 111.681 -175.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.5 m -70.06 -14.57 62.73 Favored 'General case' 0 CA--C 1.514 -0.432 0 C-N-CA 125.802 1.641 . . . . 0.0 112.954 176.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.24 -48.59 1.13 Allowed Glycine 0 C--N 1.352 1.424 0 O-C-N 121.208 -0.933 . . . . 0.0 111.914 158.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -64.35 -35.07 79.69 Favored 'General case' 0 C--N 1.349 0.577 0 N-CA-C 115.259 1.578 . . . . 0.0 115.259 -169.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.8 mmtm -109.74 -17.8 13.59 Favored 'General case' 0 CA--C 1.514 -0.431 0 O-C-N 119.053 -2.28 . . . . 0.0 112.77 175.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 38.0 m -65.28 -47.92 75.0 Favored 'General case' 0 CA--C 1.511 -0.533 0 O-C-N 120.468 -1.395 . . . . 0.0 112.01 168.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.55 -51.02 31.45 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 120.448 -1.408 . . . . 0.0 112.147 174.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 34.3 tp -99.84 61.7 1.14 Allowed 'General case' 0 C--N 1.347 0.462 0 O-C-N 120.172 -1.58 . . . . 0.0 110.432 -175.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.1 tptm 177.77 -48.06 0.01 OUTLIER 'General case' 0 C--N 1.347 0.473 0 C-N-CA 127.732 2.413 . . . . 0.0 108.44 159.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.49 -67.96 1.68 Allowed Glycine 0 C--N 1.352 1.443 0 O-C-N 121.701 -0.624 . . . . 0.0 113.106 179.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.3 -37.93 84.98 Favored 'General case' 0 C--N 1.347 0.479 0 C-N-CA 124.83 1.252 . . . . 0.0 112.213 179.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.76 -47.13 64.26 Favored 'General case' 0 C--N 1.347 0.498 0 N-CA-C 115.307 1.595 . . . . 0.0 115.307 168.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.19 -40.72 82.15 Favored 'General case' 0 C--N 1.355 0.81 0 O-C-N 120.192 -1.568 . . . . 0.0 112.116 174.31 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -61.82 -49.82 74.77 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 125.41 1.484 . . . . 0.0 113.605 179.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -64.92 -42.03 95.04 Favored 'General case' 0 C--N 1.347 0.496 0 C-N-CA 125.778 1.631 . . . . 0.0 112.807 175.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.57 11.05 25.48 Favored 'General case' 0 N--CA 1.446 -0.627 0 O-C-N 120.161 -1.587 . . . . 0.0 112.334 -176.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.0 t -60.02 -39.55 86.24 Favored 'General case' 0 C--N 1.349 0.568 0 N-CA-C 114.379 1.251 . . . . 0.0 114.379 -170.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.2 m -66.14 -26.52 67.48 Favored 'General case' 0 CA--C 1.52 -0.192 0 C-N-CA 124.828 1.251 . . . . 0.0 113.127 178.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -111.81 -38.85 4.73 Favored 'General case' 0 C--N 1.347 0.478 0 O-C-N 120.996 -1.065 . . . . 0.0 111.084 -164.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -108.73 10.34 26.8 Favored 'General case' 0 C--N 1.347 0.494 0 O-C-N 120.958 -1.089 . . . . 0.0 110.114 -177.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 21.4 t-160 . . . . . 0 C--N 1.347 0.457 0 O-C-N 120.17 -1.581 . . . . 0.0 110.039 174.715 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.07 0 N-CA-C 110.315 -1.114 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -65.56 -20.27 27.13 Favored 'Isoleucine or valine' 0 C--N 1.344 0.36 0 C-N-CA 125.434 1.494 . . . . 0.0 113.458 -174.435 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.56 -31.05 66.24 Favored Glycine 0 C--N 1.353 1.513 0 C-N-CA 124.768 1.175 . . . . 0.0 113.862 171.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.3 -4.29 86.64 Favored Glycine 0 C--N 1.351 1.37 0 O-C-N 121.624 -0.927 . . . . 0.0 113.446 176.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -99.05 -56.47 2.42 Favored 'General case' 0 N--CA 1.445 -0.689 0 O-C-N 121.056 -1.261 . . . . 0.0 109.821 167.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 32.9 pt -70.16 -41.87 79.02 Favored 'Isoleucine or valine' 0 C--N 1.352 0.701 0 N-CA-C 115.548 1.684 . . . . 0.0 115.548 -174.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 81.1 mt -77.68 -20.35 53.83 Favored 'General case' 0 C--N 1.353 0.739 0 O-C-N 119.43 -2.044 . . . . 0.0 111.504 -176.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.3 m -71.84 -14.67 62.03 Favored 'General case' 0 CA--C 1.511 -0.526 0 C-N-CA 125.542 1.537 . . . . 0.0 112.779 176.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.76 -49.07 1.31 Allowed Glycine 0 C--N 1.351 1.394 0 O-C-N 121.306 -0.871 . . . . 0.0 111.688 161.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -66.48 -47.19 73.84 Favored 'General case' 0 C--N 1.349 0.559 0 N-CA-C 115.262 1.578 . . . . 0.0 115.262 -171.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.0 mmtm -84.66 -24.36 29.06 Favored 'General case' 0 C--N 1.348 0.508 0 O-C-N 119.567 -1.958 . . . . 0.0 111.4 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 34.9 m -63.15 -44.99 93.97 Favored 'General case' 0 CA--C 1.511 -0.523 0 O-C-N 121.454 -0.779 . . . . 0.0 111.952 169.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.95 -48.57 68.14 Favored 'General case' 0 C--N 1.349 0.555 0 O-C-N 120.621 -1.299 . . . . 0.0 113.61 172.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.5 tp -67.32 -32.32 73.2 Favored 'General case' 0 C--N 1.351 0.654 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -176.225 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.408 ' HA ' ' HZ1' ' A' ' 15' ' ' LYS 0.335 0.9 OUTLIER -113.22 -64.08 1.36 Allowed 'General case' 0 CA--C 1.504 -0.79 0 O-C-N 119.802 -1.811 . . . . 0.0 115.275 175.733 . . . . . . . . 4 4 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -54.89 -62.52 6.17 Favored Glycine 0 C--N 1.35 1.352 0 CA-C-N 120.298 1.408 . . . . 0.0 115.986 -177.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.51 -43.2 97.91 Favored 'General case' 0 C--N 1.345 0.385 0 O-C-N 120.294 -1.71 . . . . 0.0 112.871 -179.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.32 -46.07 65.88 Favored 'General case' 0 N--CA 1.441 -0.879 0 N-CA-C 120.326 3.454 . . . . 0.0 120.326 168.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? -63.39 -41.76 98.78 Favored 'General case' 0 C--N 1.35 0.612 1 N-CA-C 121.821 4.008 . . . . 0.0 121.821 151.749 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.42 -40.11 93.2 Favored 'General case' 0 N--CA 1.463 0.18 0 O-C-N 118.66 -2.525 . . . . 0.0 113.58 178.513 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.6 tt -65.88 -44.99 83.69 Favored 'General case' 0 N--CA 1.451 -0.396 0 O-C-N 120.916 -1.115 . . . . 0.0 113.441 167.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -94.13 5.22 52.4 Favored 'General case' 0 C--N 1.35 0.607 0 O-C-N 119.653 -1.904 . . . . 0.0 115.123 -168.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.7 m -70.47 -12.72 61.76 Favored 'General case' 0 C--N 1.349 0.565 0 O-C-N 119.505 -1.997 . . . . 0.0 113.255 177.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.6 t -76.9 -21.49 54.82 Favored 'General case' 0 C--N 1.344 0.354 0 O-C-N 120.017 -1.677 . . . . 0.0 112.663 166.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -113.98 -38.0 4.32 Favored 'General case' 0 C--N 1.352 0.677 0 O-C-N 120.593 -1.317 . . . . 0.0 113.136 -172.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -118.51 13.66 13.5 Favored 'General case' 0 C--N 1.348 0.529 0 C-N-CA 125.388 1.475 . . . . 0.0 109.322 -177.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 22.6 m80 . . . . . 0 C--O 1.239 0.543 0 N-CA-C 117.057 2.243 . . . . 0.0 117.057 168.172 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.044 0 N-CA-C 110.272 -1.131 . . . . 0.0 110.272 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.4 tt -59.1 -36.23 61.47 Favored 'Isoleucine or valine' 0 C--N 1.345 0.41 0 C-N-CA 125.554 1.541 . . . . 0.0 113.533 -176.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.78 -30.33 59.57 Favored Glycine 0 C--N 1.355 1.592 0 C-N-CA 125.318 1.437 . . . . 0.0 113.951 175.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.92 -1.35 72.69 Favored Glycine 0 C--N 1.348 1.217 0 C-N-CA 124.799 1.19 . . . . 0.0 114.118 -178.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.91 -29.89 2.78 Favored 'General case' 0 C--N 1.347 0.466 0 O-C-N 121.212 -1.169 . . . . 0.0 112.657 168.145 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 30.0 pt -71.97 -42.61 68.54 Favored 'Isoleucine or valine' 0 C--N 1.355 0.847 0 O-C-N 119.434 -2.041 . . . . 0.0 113.803 174.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.4 mt -71.89 -35.49 69.74 Favored 'General case' 0 C--N 1.354 0.802 0 O-C-N 120.065 -1.647 . . . . 0.0 111.703 177.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.8 m -67.27 -14.38 62.86 Favored 'General case' 0 C--N 1.346 0.423 0 C-N-CA 125.888 1.675 . . . . 0.0 113.577 178.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.05 -70.6 1.17 Allowed Glycine 0 C--N 1.346 1.129 0 N-CA-C 110.58 -1.008 . . . . 0.0 110.58 161.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -61.4 -46.29 90.77 Favored 'General case' 0 C--N 1.347 0.491 0 N-CA-C 115.652 1.723 . . . . 0.0 115.652 -167.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm -83.19 -23.98 32.64 Favored 'General case' 0 C--N 1.347 0.49 0 O-C-N 119.409 -2.057 . . . . 0.0 112.036 -179.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 64.8 m -62.92 -44.66 95.48 Favored 'General case' 0 CA--C 1.51 -0.592 0 O-C-N 121.101 -1.0 . . . . 0.0 111.431 168.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.79 -48.79 70.59 Favored 'General case' 0 N--CA 1.449 -0.485 0 O-C-N 120.482 -1.386 . . . . 0.0 113.666 171.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 30.4 tp -75.19 -21.56 58.62 Favored 'General case' 0 C--N 1.35 0.598 0 N-CA-C 114.898 1.444 . . . . 0.0 114.898 -171.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.4 tptp -132.46 -28.1 1.69 Allowed 'General case' 0 C--N 1.348 0.532 0 O-C-N 119.611 -1.93 . . . . 0.0 114.047 177.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.39 -69.16 1.42 Allowed Glycine 0 C--N 1.349 1.275 0 CA-C-N 120.344 1.429 . . . . 0.0 112.062 177.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.29 -37.53 77.92 Favored 'General case' 0 C--N 1.347 0.458 0 C-N-CA 124.975 1.31 . . . . 0.0 112.265 178.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.57 -46.88 63.59 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 125.375 1.47 . . . . 0.0 114.895 165.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.469 ' HZ3' ' CD ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -62.35 -46.15 89.97 Favored 'General case' 0 C--N 1.361 1.072 0 O-C-N 119.874 -1.766 . . . . 0.0 111.761 173.597 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.469 ' CD ' ' HZ3' ' A' ' 19' ' ' LYS . 11.4 mm-40 -62.3 -44.65 96.02 Favored 'General case' 0 C--N 1.345 0.409 0 O-C-N 121.014 -1.054 . . . . 0.0 113.162 -178.294 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -62.59 -42.86 99.82 Favored 'General case' 0 C--N 1.348 0.514 0 C-N-CA 124.354 1.062 . . . . 0.0 113.172 172.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -92.65 9.38 35.08 Favored 'General case' 0 N--CA 1.447 -0.617 0 O-C-N 120.025 -1.672 . . . . 0.0 113.629 -173.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.6 m -60.97 -41.36 96.22 Favored 'General case' 0 CA--C 1.51 -0.583 0 O-C-N 120.541 -1.349 . . . . 0.0 113.944 -173.066 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.93 4.07 51.77 Favored 'General case' 0 C--N 1.343 0.309 0 CA-C-O 121.716 0.769 . . . . 0.0 111.116 -177.465 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -111.31 -38.3 5.03 Favored 'General case' 0 C--N 1.348 0.507 0 O-C-N 120.65 -1.281 . . . . 0.0 111.589 -178.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.8 mp -109.14 7.96 25.77 Favored 'General case' 0 C--N 1.346 0.456 0 O-C-N 121.002 -1.061 . . . . 0.0 109.8 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 63.0 t-80 . . . . . 0 N--CA 1.446 -0.663 0 O-C-N 120.802 -1.186 . . . . 0.0 108.149 173.897 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.047 0 N-CA-C 110.368 -1.093 . . . . 0.0 110.368 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.0 tt -58.29 -38.59 69.81 Favored 'Isoleucine or valine' 0 C--N 1.345 0.389 0 C-N-CA 125.807 1.643 . . . . 0.0 113.713 -173.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.34 -30.04 70.33 Favored Glycine 0 C--N 1.353 1.49 0 O-C-N 120.572 -1.33 . . . . 0.0 114.053 176.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.44 -4.71 84.88 Favored Glycine 0 C--N 1.348 1.212 0 O-C-N 121.255 -1.144 . . . . 0.0 113.765 -178.379 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.09 14.83 13.19 Favored 'General case' 0 N--CA 1.449 -0.513 0 O-C-N 121.096 -1.238 . . . . 0.0 112.194 172.225 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 20.9 pt -130.4 -37.97 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.804 0 O-C-N 121.139 -0.975 . . . . 0.0 112.454 166.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 90.2 mt -76.36 -22.46 54.82 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 119.339 -2.101 . . . . 0.0 111.411 -178.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.3 m -70.29 -11.98 61.27 Favored 'General case' 0 CA--C 1.514 -0.435 0 C-N-CA 126.221 1.809 . . . . 0.0 113.07 175.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.57 -49.33 1.12 Allowed Glycine 0 C--N 1.351 1.39 0 O-C-N 121.33 -0.856 . . . . 0.0 111.37 161.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.7 tt -65.1 -47.08 78.47 Favored 'General case' 0 C--N 1.349 0.547 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 -172.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -86.93 -22.87 25.37 Favored 'General case' 0 C--N 1.348 0.503 0 O-C-N 119.786 -1.821 . . . . 0.0 111.252 -179.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 35.4 m -63.96 -42.56 97.24 Favored 'General case' 0 CA--C 1.512 -0.514 0 C-N-CA 124.105 0.962 . . . . 0.0 111.924 168.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.09 -46.84 79.46 Favored 'General case' 0 N--CA 1.448 -0.56 0 O-C-N 120.28 -1.513 . . . . 0.0 113.366 169.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 26.6 tp -66.55 -45.39 79.54 Favored 'General case' 0 C--N 1.351 0.639 0 N-CA-C 115.721 1.749 . . . . 0.0 115.721 -177.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.2 tptp -83.12 -50.43 8.49 Favored 'General case' 0 CA--C 1.508 -0.665 0 O-C-N 119.947 -1.721 . . . . 0.0 111.044 173.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -78.82 -73.25 1.12 Allowed Glycine 0 CA--C 1.488 -1.609 0 O-C-N 121.306 -0.871 . . . . 0.0 111.625 -165.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.05 -43.77 91.73 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 -174.402 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.2 -49.01 71.41 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 115.636 1.717 . . . . 0.0 115.636 177.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.0 tptt -74.7 -40.4 61.38 Favored 'General case' 0 C--N 1.355 0.829 0 O-C-N 120.008 -1.682 . . . . 0.0 113.41 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.38 -37.23 84.8 Favored 'General case' 0 C--N 1.345 0.387 0 O-C-N 120.666 -1.271 . . . . 0.0 112.171 179.22 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 51.0 tp -63.7 -43.84 95.43 Favored 'General case' 0 C--N 1.354 0.801 0 O-C-N 119.924 -1.735 . . . . 0.0 112.759 166.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.3 37.15 0.72 Allowed 'General case' 0 N--CA 1.446 -0.66 0 O-C-N 119.992 -1.693 . . . . 0.0 112.994 176.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.2 m -59.47 -53.34 59.29 Favored 'General case' 0 C--N 1.356 0.856 0 O-C-N 120.623 -1.298 . . . . 0.0 112.683 -175.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.8 m -75.99 -46.08 31.39 Favored 'General case' 0 CA--C 1.513 -0.456 0 C-N-CA 123.766 0.826 . . . . 0.0 112.521 173.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -67.84 -42.66 81.06 Favored 'General case' 0 C--N 1.348 0.524 0 N-CA-C 115.978 1.844 . . . . 0.0 115.978 -163.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -109.73 71.03 0.75 Allowed 'General case' 0 C--N 1.346 0.45 0 N-CA-C 105.987 -1.857 . . . . 0.0 105.987 173.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 9.6 m80 . . . . . 0 C--N 1.346 0.444 0 C-N-CA 130.225 3.41 . . . . 0.0 117.091 -161.874 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.032 0 N-CA-C 110.375 -1.09 . . . . 0.0 110.375 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.0 tt -58.34 -35.01 51.83 Favored 'Isoleucine or valine' 0 C--N 1.346 0.424 0 C-N-CA 125.943 1.697 . . . . 0.0 113.647 -174.668 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.46 -31.65 67.06 Favored Glycine 0 C--N 1.353 1.525 0 O-C-N 120.79 -1.194 . . . . 0.0 114.556 175.566 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.33 -4.78 89.18 Favored Glycine 0 C--N 1.35 1.358 0 O-C-N 121.663 -0.904 . . . . 0.0 113.349 177.416 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.9 tttp -98.79 -56.36 2.46 Favored 'General case' 0 N--CA 1.444 -0.744 0 O-C-N 121.154 -1.204 . . . . 0.0 109.705 168.528 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 28.2 pt -69.99 -41.43 79.36 Favored 'Isoleucine or valine' 0 C--N 1.351 0.666 0 N-CA-C 115.388 1.625 . . . . 0.0 115.388 -174.478 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 86.6 mt -78.48 -21.53 48.84 Favored 'General case' 0 C--N 1.354 0.768 0 O-C-N 119.538 -1.976 . . . . 0.0 111.739 -177.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.3 m -71.69 -15.76 62.22 Favored 'General case' 0 CA--C 1.513 -0.445 0 C-N-CA 125.007 1.323 . . . . 0.0 112.132 175.152 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.15 -65.2 1.22 Allowed Glycine 0 C--N 1.348 1.244 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 160.384 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -61.73 -48.2 81.81 Favored 'General case' 0 C--N 1.348 0.506 0 N-CA-C 116.191 1.923 . . . . 0.0 116.191 -167.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.8 mmtm -72.99 -38.1 66.75 Favored 'General case' 0 C--N 1.351 0.643 0 O-C-N 119.551 -1.968 . . . . 0.0 111.753 178.318 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.7 m -59.88 -43.73 94.59 Favored 'General case' 0 CA--C 1.51 -0.571 0 C-N-CA 124.556 1.143 . . . . 0.0 112.433 175.341 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.95 -47.64 79.63 Favored 'General case' 0 N--CA 1.448 -0.537 0 O-C-N 120.167 -1.583 . . . . 0.0 113.231 171.134 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.2 tp -63.22 -41.5 99.13 Favored 'General case' 0 C--N 1.349 0.558 0 N-CA-C 115.56 1.689 . . . . 0.0 115.56 -176.688 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -150.1 20.47 0.87 Allowed 'General case' 0 C--N 1.346 0.426 0 O-C-N 119.823 -1.798 . . . . 0.0 113.172 -172.817 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -103.63 -76.78 1.14 Allowed Glycine 0 C--N 1.346 1.138 0 N-CA-C 107.58 -2.208 . . . . 0.0 107.58 160.263 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.02 -41.45 87.79 Favored 'General case' 0 N--CA 1.451 -0.412 0 O-C-N 120.817 -1.402 . . . . 0.0 112.974 178.492 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.91 17.73 6.45 Favored 'General case' 0 N--CA 1.447 -0.587 0 O-C-N 120.733 -1.229 . . . . 0.0 112.835 173.616 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.1 -52.96 4.57 Favored 'General case' 0 C--N 1.353 0.76 0 O-C-N 119.93 -1.731 . . . . 0.0 107.232 150.462 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -61.78 -43.56 98.61 Favored 'General case' 0 C--N 1.35 0.605 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 -175.121 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.8 tt -61.15 -34.42 74.98 Favored 'General case' 0 C--N 1.348 0.52 0 O-C-N 120.64 -1.287 . . . . 0.0 113.137 174.072 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.95 4.64 49.44 Favored 'General case' 0 N--CA 1.443 -0.806 0 O-C-N 120.67 -1.269 . . . . 0.0 112.187 -177.096 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 t -65.03 -41.86 94.87 Favored 'General case' 0 CA--C 1.507 -0.675 0 N-CA-C 114.785 1.402 . . . . 0.0 114.785 -162.359 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.0 m -62.88 -44.12 96.97 Favored 'General case' 0 CA--C 1.515 -0.369 0 O-C-N 120.862 -1.149 . . . . 0.0 112.299 175.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -69.86 -41.9 74.24 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.417 1.487 . . . . 0.0 114.386 -177.312 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.3 mp -99.92 -10.8 21.28 Favored 'General case' 0 C--N 1.348 0.539 0 O-C-N 121.017 -1.052 . . . . 0.0 111.873 -174.415 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 43.0 m170 . . . . . 0 CA--C 1.511 -0.53 0 O-C-N 121.05 -1.031 . . . . 0.0 108.821 177.463 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.498 -1.002 0 N-CA-C 110.418 -1.073 . . . . 0.0 110.418 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -59.88 -27.78 39.21 Favored 'Isoleucine or valine' 0 C--N 1.344 0.363 0 C-N-CA 126.256 1.822 . . . . 0.0 113.82 -175.645 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.93 -30.67 63.62 Favored Glycine 0 C--N 1.353 1.485 0 C-N-CA 124.983 1.278 . . . . 0.0 114.242 173.65 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.33 -4.46 86.9 Favored Glycine 0 C--N 1.351 1.372 0 CA-C-N 118.092 0.946 . . . . 0.0 113.51 177.46 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -99.73 -56.28 2.43 Favored 'General case' 0 N--CA 1.445 -0.688 0 O-C-N 121.161 -1.199 . . . . 0.0 109.879 167.431 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 35.9 pt -68.99 -41.58 81.83 Favored 'Isoleucine or valine' 0 C--N 1.351 0.673 0 N-CA-C 115.553 1.686 . . . . 0.0 115.553 -175.137 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 88.0 mt -77.9 -19.68 54.29 Favored 'General case' 0 C--N 1.353 0.726 0 O-C-N 119.41 -2.056 . . . . 0.0 111.62 -177.736 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.2 m -72.25 -14.14 61.7 Favored 'General case' 0 CA--C 1.512 -0.505 0 C-N-CA 125.264 1.425 . . . . 0.0 112.535 176.266 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.68 -47.78 1.6 Allowed Glycine 0 C--N 1.351 1.385 0 O-C-N 121.364 -0.835 . . . . 0.0 111.948 161.153 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -67.04 -48.56 67.97 Favored 'General case' 0 C--N 1.35 0.592 0 N-CA-C 115.453 1.649 . . . . 0.0 115.453 -172.032 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.4 mmtm -74.22 -36.86 63.96 Favored 'General case' 0 C--N 1.35 0.622 0 O-C-N 119.623 -1.923 . . . . 0.0 111.344 177.649 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.6 m -59.81 -43.54 94.44 Favored 'General case' 0 CA--C 1.511 -0.541 0 C-N-CA 124.719 1.208 . . . . 0.0 112.709 175.578 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.42 -47.6 78.53 Favored 'General case' 0 C--N 1.348 0.521 0 O-C-N 120.005 -1.684 . . . . 0.0 113.239 170.483 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 42.0 tp -63.12 -40.92 99.01 Favored 'General case' 0 C--N 1.349 0.586 0 N-CA-C 115.625 1.713 . . . . 0.0 115.625 -176.337 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -150.12 20.18 0.87 Allowed 'General case' 0 N--CA 1.451 -0.412 0 O-C-N 119.76 -1.837 . . . . 0.0 112.929 -172.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -103.79 -76.78 1.14 Allowed Glycine 0 C--N 1.347 1.187 0 N-CA-C 107.541 -2.224 . . . . 0.0 107.541 160.313 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.51 -41.56 85.71 Favored 'General case' 0 N--CA 1.45 -0.44 0 O-C-N 120.558 -1.554 . . . . 0.0 112.925 178.173 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.85 17.59 6.54 Favored 'General case' 0 N--CA 1.446 -0.656 0 O-C-N 120.61 -1.306 . . . . 0.0 112.955 173.29 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -96.22 -40.2 9.29 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 119.862 -1.774 . . . . 0.0 109.322 152.28 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -68.91 -44.48 73.07 Favored 'General case' 0 C--N 1.348 0.523 0 O-C-N 120.752 -1.218 . . . . 0.0 113.846 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 45.5 tp -61.72 -32.09 72.29 Favored 'General case' 0 C--N 1.347 0.499 0 O-C-N 120.674 -1.266 . . . . 0.0 112.942 174.189 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.08 3.11 53.59 Favored 'General case' 0 N--CA 1.442 -0.833 0 O-C-N 120.709 -1.244 . . . . 0.0 112.519 -178.695 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 t -63.13 -37.66 88.09 Favored 'General case' 0 C--N 1.351 0.669 0 N-CA-C 114.955 1.465 . . . . 0.0 114.955 -164.593 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.2 m -93.51 3.21 55.91 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-O 121.898 0.856 . . . . 0.0 110.838 -175.126 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -124.26 -37.48 2.54 Favored 'General case' 0 C--N 1.348 0.532 0 O-C-N 120.759 -1.213 . . . . 0.0 111.198 -170.418 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -109.69 -0.31 18.62 Favored 'General case' 0 C--N 1.348 0.508 0 O-C-N 121.333 -0.854 . . . . 0.0 109.759 177.281 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 60.7 m-70 . . . . . 0 C--N 1.349 0.549 0 N-CA-C 115.966 1.839 . . . . 0.0 115.966 171.429 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.069 0 N-CA-C 110.433 -1.067 . . . . 0.0 110.433 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -59.79 -27.83 39.09 Favored 'Isoleucine or valine' 0 C--N 1.344 0.364 0 C-N-CA 126.262 1.825 . . . . 0.0 113.854 -175.69 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.99 -30.59 63.72 Favored Glycine 0 C--N 1.353 1.498 0 C-N-CA 124.941 1.258 . . . . 0.0 114.294 173.701 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.45 -4.51 87.27 Favored Glycine 0 C--N 1.351 1.383 0 CA-C-N 118.052 0.926 . . . . 0.0 113.512 177.435 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -99.55 -56.43 2.4 Favored 'General case' 0 N--CA 1.446 -0.649 0 O-C-N 121.157 -1.202 . . . . 0.0 109.8 167.529 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 36.0 pt -68.86 -41.55 82.17 Favored 'Isoleucine or valine' 0 C--N 1.352 0.694 0 N-CA-C 115.54 1.681 . . . . 0.0 115.54 -175.163 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 90.7 mt -78.25 -19.19 54.23 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 119.397 -2.064 . . . . 0.0 111.695 -177.477 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.0 m -72.44 -14.5 61.7 Favored 'General case' 0 CA--C 1.512 -0.496 0 C-N-CA 125.123 1.369 . . . . 0.0 112.537 176.43 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.5 -47.48 1.66 Allowed Glycine 0 C--N 1.351 1.385 0 O-C-N 121.337 -0.852 . . . . 0.0 111.921 161.4 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -66.78 -48.7 68.2 Favored 'General case' 0 C--N 1.351 0.645 0 N-CA-C 115.342 1.608 . . . . 0.0 115.342 -172.228 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.7 mmtm -72.93 -37.74 67.08 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 119.661 -1.899 . . . . 0.0 111.469 177.564 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.3 m -59.82 -43.51 94.51 Favored 'General case' 0 CA--C 1.512 -0.504 0 C-N-CA 124.911 1.284 . . . . 0.0 112.737 176.352 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.34 -48.45 72.97 Favored 'General case' 0 N--CA 1.449 -0.521 0 O-C-N 120.061 -1.649 . . . . 0.0 113.304 170.086 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.9 tp -63.53 -40.39 96.91 Favored 'General case' 0 C--N 1.35 0.598 0 N-CA-C 115.681 1.734 . . . . 0.0 115.681 -175.373 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -149.8 20.56 0.9 Allowed 'General case' 0 N--CA 1.449 -0.501 0 O-C-N 119.827 -1.795 . . . . 0.0 112.357 -172.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -103.25 -78.18 1.26 Allowed Glycine 0 C--N 1.347 1.181 0 N-CA-C 107.529 -2.228 . . . . 0.0 107.529 160.134 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.24 -42.47 91.18 Favored 'General case' 0 C--N 1.345 0.406 0 O-C-N 120.665 -1.491 . . . . 0.0 113.051 178.298 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.78 17.1 6.95 Favored 'General case' 0 N--CA 1.446 -0.659 0 O-C-N 120.74 -1.225 . . . . 0.0 112.482 173.699 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.8 tttm -90.65 -54.6 3.91 Favored 'General case' 0 C--N 1.354 0.761 0 O-C-N 119.872 -1.768 . . . . 0.0 107.642 150.432 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -60.47 -42.46 96.27 Favored 'General case' 0 C--N 1.351 0.645 0 N-CA-C 114.511 1.3 . . . . 0.0 114.511 -173.02 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.51 -17.39 62.34 Favored 'General case' 0 C--N 1.348 0.535 0 O-C-N 120.79 -1.193 . . . . 0.0 112.179 177.159 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -100.17 -9.23 22.72 Favored 'General case' 0 N--CA 1.445 -0.72 0 O-C-N 119.983 -1.698 . . . . 0.0 112.156 177.216 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.6 m -74.89 -15.3 60.71 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 120.198 -1.564 . . . . 0.0 112.815 -173.264 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.5 m -61.65 -36.52 81.04 Favored 'General case' 0 C--N 1.342 0.253 0 O-C-N 121.023 -1.048 . . . . 0.0 112.673 166.651 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -112.26 -33.92 6.07 Favored 'General case' 0 C--N 1.349 0.573 0 O-C-N 121.145 -0.972 . . . . 0.0 112.298 -168.153 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.1 mp -108.19 2.12 22.62 Favored 'General case' 0 C--N 1.348 0.505 0 C-N-CA 124.64 1.176 . . . . 0.0 110.333 -177.328 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 . . . . . 0 C--O 1.24 0.598 0 N-CA-C 115.572 1.693 . . . . 0.0 115.572 172.883 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.062 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -58.99 -29.12 40.44 Favored 'Isoleucine or valine' 0 C--N 1.345 0.399 0 C-N-CA 126.396 1.878 . . . . 0.0 113.98 -175.252 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.24 -31.68 66.29 Favored Glycine 0 C--N 1.353 1.503 0 C-N-CA 124.495 1.045 . . . . 0.0 114.389 173.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.23 -5.29 89.14 Favored Glycine 0 C--N 1.351 1.39 0 O-C-N 121.469 -1.018 . . . . 0.0 113.265 176.718 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.8 tmtm? -95.95 -54.53 3.29 Favored 'General case' 0 N--CA 1.445 -0.697 0 O-C-N 121.019 -1.283 . . . . 0.0 109.369 169.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 34.9 pt -73.24 -42.27 58.0 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 N-CA-C 115.515 1.672 . . . . 0.0 115.515 -175.442 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.0 mt -76.86 -20.2 56.59 Favored 'General case' 0 C--N 1.354 0.78 0 O-C-N 119.255 -2.153 . . . . 0.0 111.729 -175.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 42.8 m -71.34 -13.79 61.98 Favored 'General case' 0 CA--C 1.513 -0.472 0 C-N-CA 125.543 1.537 . . . . 0.0 112.65 175.302 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.36 -47.59 1.53 Allowed Glycine 0 C--N 1.352 1.439 0 O-C-N 121.276 -0.89 . . . . 0.0 111.898 161.406 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -66.93 -48.83 67.42 Favored 'General case' 0 C--N 1.35 0.597 0 N-CA-C 115.425 1.639 . . . . 0.0 115.425 -172.014 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.6 mmtm -72.99 -37.79 66.87 Favored 'General case' 0 C--N 1.351 0.639 0 O-C-N 119.666 -1.896 . . . . 0.0 111.302 177.183 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.1 m -59.63 -43.75 93.71 Favored 'General case' 0 CA--C 1.511 -0.543 0 C-N-CA 124.861 1.264 . . . . 0.0 112.752 176.336 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.81 -47.87 76.48 Favored 'General case' 0 N--CA 1.45 -0.466 0 O-C-N 120.092 -1.63 . . . . 0.0 113.228 170.674 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.0 tp -63.22 -41.46 99.13 Favored 'General case' 0 C--N 1.349 0.557 0 N-CA-C 115.567 1.692 . . . . 0.0 115.567 -175.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -150.31 21.41 0.84 Allowed 'General case' 0 N--CA 1.45 -0.452 0 O-C-N 119.796 -1.815 . . . . 0.0 112.784 -172.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -104.14 -77.14 1.15 Allowed Glycine 0 C--N 1.347 1.176 0 N-CA-C 107.623 -2.191 . . . . 0.0 107.623 160.098 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.96 -41.64 87.96 Favored 'General case' 0 N--CA 1.45 -0.448 0 O-C-N 120.713 -1.463 . . . . 0.0 113.009 178.354 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.8 17.72 6.34 Favored 'General case' 0 N--CA 1.447 -0.617 0 O-C-N 120.7 -1.25 . . . . 0.0 112.757 173.591 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.35 -52.15 4.94 Favored 'General case' 0 C--N 1.353 0.721 0 O-C-N 119.93 -1.731 . . . . 0.0 107.485 150.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -62.43 -44.99 95.1 Favored 'General case' 0 C--N 1.35 0.617 0 N-CA-C 114.926 1.454 . . . . 0.0 114.926 -175.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.1 tt -61.48 -35.31 77.3 Favored 'General case' 0 C--N 1.348 0.533 0 O-C-N 120.891 -1.131 . . . . 0.0 113.088 176.146 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -98.46 3.64 48.31 Favored 'General case' 0 N--CA 1.442 -0.825 0 O-C-N 120.836 -1.165 . . . . 0.0 112.324 -176.43 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.3 t -62.73 -36.41 82.94 Favored 'General case' 0 C--N 1.351 0.647 0 N-CA-C 114.992 1.479 . . . . 0.0 114.992 -161.705 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.0 m -61.94 -40.46 95.61 Favored 'General case' 0 C--N 1.343 0.312 0 C-N-CA 125.251 1.42 . . . . 0.0 113.123 174.181 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -97.88 -13.45 21.24 Favored 'General case' 0 C--N 1.345 0.404 0 O-C-N 121.09 -1.006 . . . . 0.0 111.669 -166.763 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -115.74 31.57 6.63 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 125.906 1.683 . . . . 0.0 107.425 177.247 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 . . . . . 0 C--N 1.347 0.487 0 CA-C-O 122.212 1.006 . . . . 0.0 112.428 179.963 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.062 0 N-CA-C 110.325 -1.11 . . . . 0.0 110.325 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -64.34 -21.68 29.56 Favored 'Isoleucine or valine' 0 C--N 1.345 0.381 0 C-N-CA 125.539 1.536 . . . . 0.0 113.619 -174.669 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.31 -30.81 65.03 Favored Glycine 0 C--N 1.353 1.473 0 C-N-CA 124.98 1.276 . . . . 0.0 113.89 172.317 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.98 -4.21 85.59 Favored Glycine 0 C--N 1.35 1.346 0 O-C-N 121.65 -0.912 . . . . 0.0 113.499 177.429 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -100.63 -56.67 2.28 Favored 'General case' 0 N--CA 1.446 -0.636 0 O-C-N 121.146 -1.208 . . . . 0.0 109.871 167.515 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 33.4 pt -68.55 -40.94 82.66 Favored 'Isoleucine or valine' 0 C--N 1.352 0.704 0 N-CA-C 115.585 1.698 . . . . 0.0 115.585 -174.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 78.9 mt -79.02 -21.02 47.56 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 119.584 -1.948 . . . . 0.0 111.558 -178.076 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 43.0 m -72.0 -14.29 61.85 Favored 'General case' 0 CA--C 1.513 -0.45 0 C-N-CA 125.354 1.462 . . . . 0.0 112.28 175.478 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -93.6 -68.83 1.09 Allowed Glycine 0 C--N 1.347 1.183 0 N-CA-C 110.208 -1.157 . . . . 0.0 110.208 160.689 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -60.97 -45.02 96.44 Favored 'General case' 0 C--N 1.347 0.457 0 N-CA-C 115.79 1.774 . . . . 0.0 115.79 -167.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.6 mmtm -89.27 -18.39 27.1 Favored 'General case' 0 C--N 1.347 0.479 0 O-C-N 119.428 -2.045 . . . . 0.0 111.877 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 91.6 m -64.08 -45.13 90.05 Favored 'General case' 0 CA--C 1.512 -0.518 0 O-C-N 120.67 -1.269 . . . . 0.0 111.15 165.282 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.3 -48.64 72.44 Favored 'General case' 0 C--N 1.349 0.546 0 O-C-N 120.954 -1.091 . . . . 0.0 113.801 172.733 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 26.1 tp -77.01 -17.46 58.82 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 120.819 -1.175 . . . . 0.0 114.019 -173.576 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -118.03 -70.6 0.78 Allowed 'General case' 0 CA--C 1.507 -0.701 0 O-C-N 119.922 -1.736 . . . . 0.0 112.211 176.688 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -54.13 -61.09 7.52 Favored Glycine 0 C--N 1.35 1.342 0 CA-C-N 119.572 1.078 . . . . 0.0 115.72 -178.248 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.47 -40.91 98.2 Favored 'General case' 0 C--N 1.347 0.458 0 O-C-N 121.182 -1.187 . . . . 0.0 112.687 -179.404 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.65 -46.87 63.89 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 125.38 1.472 . . . . 0.0 114.287 167.721 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -46.76 86.62 Favored 'General case' 0 C--N 1.354 0.782 0 O-C-N 120.03 -1.669 . . . . 0.0 112.394 174.169 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -65.71 -35.75 81.63 Favored 'General case' 0 C--N 1.344 0.355 0 O-C-N 120.528 -1.357 . . . . 0.0 113.789 -177.295 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.21 -5.65 59.15 Favored 'General case' 0 N--CA 1.45 -0.444 0 O-C-N 120.929 -1.107 . . . . 0.0 112.807 179.206 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -136.73 9.29 3.09 Favored 'General case' 0 C--N 1.353 0.749 0 O-C-N 119.822 -1.799 . . . . 0.0 115.228 -176.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 p -70.09 -24.84 63.29 Favored 'General case' 0 C--N 1.351 0.659 0 O-C-N 119.535 -1.978 . . . . 0.0 112.047 168.63 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.0 m -59.44 -32.81 70.56 Favored 'General case' 0 CA--C 1.517 -0.302 0 C-N-CA 126.008 1.723 . . . . 0.0 112.908 171.569 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -112.36 -39.01 4.52 Favored 'General case' 0 C--N 1.349 0.545 0 O-C-N 121.468 -0.77 . . . . 0.0 112.052 -169.111 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -103.19 -1.8 28.35 Favored 'General case' 0 C--N 1.349 0.582 0 O-C-N 120.601 -1.312 . . . . 0.0 111.822 -176.311 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 30.4 m170 . . . . . 0 CA--C 1.51 -0.583 0 O-C-N 120.43 -1.419 . . . . 0.0 110.327 176.815 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.05 0 N-CA-C 110.315 -1.114 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.5 tt -59.17 -37.38 68.17 Favored 'Isoleucine or valine' 0 C--N 1.346 0.44 0 C-N-CA 125.332 1.453 . . . . 0.0 113.456 -176.052 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.61 -29.99 61.75 Favored Glycine 0 C--N 1.355 1.625 0 C-N-CA 125.227 1.394 . . . . 0.0 114.032 175.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.34 -1.27 74.81 Favored Glycine 0 C--N 1.348 1.228 0 C-N-CA 125.009 1.29 . . . . 0.0 114.153 -178.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.36 -29.62 2.69 Favored 'General case' 0 C--N 1.346 0.447 0 O-C-N 121.193 -1.181 . . . . 0.0 112.516 168.202 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 29.4 pt -72.35 -42.84 65.24 Favored 'Isoleucine or valine' 0 C--N 1.356 0.873 0 O-C-N 119.505 -1.997 . . . . 0.0 113.785 173.655 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 84.9 mt -77.52 -22.98 50.32 Favored 'General case' 0 C--N 1.354 0.795 0 O-C-N 119.658 -1.902 . . . . 0.0 111.492 -178.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.0 m -71.4 -14.53 62.2 Favored 'General case' 0 CA--C 1.51 -0.56 0 C-N-CA 125.807 1.643 . . . . 0.0 113.168 178.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.71 -49.3 1.29 Allowed Glycine 0 C--N 1.35 1.349 0 O-C-N 121.354 -0.841 . . . . 0.0 111.587 160.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -66.0 -45.26 82.21 Favored 'General case' 0 C--N 1.349 0.563 0 N-CA-C 115.435 1.643 . . . . 0.0 115.435 -170.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.8 mmtm -91.58 -20.1 22.03 Favored 'General case' 0 C--N 1.347 0.461 0 O-C-N 119.491 -2.005 . . . . 0.0 111.294 -179.285 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 51.9 m -63.81 -45.3 90.25 Favored 'General case' 0 CA--C 1.51 -0.568 0 O-C-N 121.257 -0.902 . . . . 0.0 111.604 167.136 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.29 -47.07 77.92 Favored 'General case' 0 C--N 1.349 0.581 0 O-C-N 120.878 -1.139 . . . . 0.0 113.592 172.662 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 24.6 tp -71.92 -26.17 62.2 Favored 'General case' 0 C--N 1.35 0.596 0 N-CA-C 114.746 1.388 . . . . 0.0 114.746 -174.705 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.21 -70.52 0.79 Allowed 'General case' 0 CA--C 1.51 -0.596 0 O-C-N 120.331 -1.481 . . . . 0.0 111.925 177.394 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -50.77 -58.97 8.47 Favored Glycine 0 C--N 1.351 1.387 0 N-CA-C 116.492 1.357 . . . . 0.0 116.492 -175.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.17 -40.47 97.62 Favored 'General case' 0 C--N 1.345 0.396 0 O-C-N 121.028 -1.278 . . . . 0.0 112.797 178.639 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.57 -39.45 88.05 Favored 'General case' 0 N--CA 1.446 -0.673 0 N-CA-C 113.949 1.092 . . . . 0.0 113.949 173.583 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.37 -44.29 95.2 Favored 'General case' 0 C--N 1.354 0.776 0 O-C-N 120.318 -1.489 . . . . 0.0 111.967 173.72 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -69.43 -43.24 73.76 Favored 'General case' 0 C--N 1.345 0.38 0 O-C-N 120.758 -1.214 . . . . 0.0 113.004 179.16 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.2 tt -62.24 -43.02 99.77 Favored 'General case' 0 C--N 1.348 0.532 0 O-C-N 120.941 -1.099 . . . . 0.0 113.517 175.748 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.51 13.85 28.51 Favored 'General case' 0 N--CA 1.445 -0.69 0 O-C-N 120.405 -1.434 . . . . 0.0 112.559 -176.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.7 t -60.13 -39.57 86.72 Favored 'General case' 0 C--N 1.352 0.685 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 -167.623 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.4 m -75.06 -18.34 60.32 Favored 'General case' 0 C--N 1.341 0.226 0 C-N-CA 124.061 0.944 . . . . 0.0 112.544 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -112.51 -39.15 4.44 Favored 'General case' 0 C--N 1.346 0.415 0 O-C-N 120.967 -1.083 . . . . 0.0 112.431 -164.299 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -110.0 15.43 22.55 Favored 'General case' 0 C--N 1.346 0.44 0 O-C-N 120.896 -1.128 . . . . 0.0 110.934 -172.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 84.6 t60 . . . . . 0 C--N 1.346 0.454 0 O-C-N 120.219 -1.551 . . . . 0.0 111.198 175.288 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.498 -1.009 0 N-CA-C 110.345 -1.102 . . . . 0.0 110.345 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.4 tt -57.94 -38.57 67.27 Favored 'Isoleucine or valine' 0 C--N 1.346 0.436 0 C-N-CA 125.744 1.618 . . . . 0.0 113.298 -174.575 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -46.48 -44.25 15.93 Favored Glycine 0 C--N 1.354 1.573 0 C-N-CA 126.203 1.859 . . . . 0.0 114.74 172.407 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.6 -4.65 85.21 Favored Glycine 0 C--N 1.347 1.186 0 O-C-N 121.747 -0.854 . . . . 0.0 114.56 -176.537 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.78 -5.69 10.15 Favored 'General case' 0 N--CA 1.45 -0.457 0 O-C-N 120.828 -1.395 . . . . 0.0 113.239 170.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 32.4 pt -90.11 -52.22 10.9 Favored 'Isoleucine or valine' 0 C--N 1.354 0.763 0 O-C-N 120.397 -1.439 . . . . 0.0 113.006 162.438 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 96.6 mt -66.66 -32.71 74.2 Favored 'General case' 0 C--N 1.355 0.81 0 O-C-N 120.2 -1.563 . . . . 0.0 113.009 -170.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.8 m -63.54 -15.58 58.37 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 126.56 1.944 . . . . 0.0 114.375 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.61 -49.21 0.98 Allowed Glycine 0 C--N 1.352 1.465 0 O-C-N 121.333 -0.854 . . . . 0.0 111.763 158.211 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -63.09 -32.87 74.34 Favored 'General case' 0 C--N 1.348 0.517 0 C-N-CA 126.142 1.777 . . . . 0.0 115.591 -167.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.7 mmtm -114.86 -14.89 11.9 Favored 'General case' 0 C--N 1.346 0.418 0 O-C-N 119.27 -2.144 . . . . 0.0 113.181 173.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 60.6 m -61.88 -42.14 98.7 Favored 'General case' 0 CA--C 1.51 -0.57 0 O-C-N 120.576 -1.328 . . . . 0.0 111.634 167.256 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.05 -19.39 65.67 Favored 'General case' 0 C--N 1.35 0.602 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 178.66 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.8 tp -112.29 -8.15 13.96 Favored 'General case' 0 C--N 1.35 0.608 0 O-C-N 120.74 -1.225 . . . . 0.0 111.737 -173.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.1 tptm -118.41 -70.83 0.77 Allowed 'General case' 0 C--N 1.348 0.51 0 O-C-N 120.109 -1.62 . . . . 0.0 110.879 172.384 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.76 -61.52 7.36 Favored Glycine 0 C--N 1.355 1.609 0 C-N-CA 123.77 0.7 . . . . 0.0 114.312 -178.175 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.35 -36.62 84.31 Favored 'General case' 0 C--N 1.347 0.489 0 CA-C-O 122.336 1.065 . . . . 0.0 112.623 -178.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.56 -44.71 96.53 Favored 'General case' 0 N--CA 1.446 -0.66 0 O-C-N 120.435 -1.416 . . . . 0.0 114.073 176.224 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.71 -17.45 41.29 Favored 'General case' 0 C--N 1.353 0.721 0 O-C-N 120.191 -1.568 . . . . 0.0 112.396 176.809 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -70.39 -50.47 38.37 Favored 'General case' 0 N--CA 1.452 -0.341 0 O-C-N 120.329 -1.482 . . . . 0.0 112.191 169.619 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.1 tt -68.39 -45.74 71.87 Favored 'General case' 0 C--N 1.349 0.553 0 O-C-N 120.792 -1.192 . . . . 0.0 113.255 176.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.65 28.26 3.49 Favored 'General case' 0 N--CA 1.448 -0.571 0 O-C-N 119.988 -1.695 . . . . 0.0 111.49 -175.763 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.3 t -58.03 -45.9 86.21 Favored 'General case' 0 C--N 1.35 0.605 0 N-CA-C 115.779 1.77 . . . . 0.0 115.779 -165.45 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.6 m -65.21 -43.49 91.36 Favored 'General case' 0 CA--C 1.514 -0.436 0 C-N-CA 125.234 1.414 . . . . 0.0 112.888 176.373 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -69.54 -40.68 76.72 Favored 'General case' 0 C--N 1.344 0.363 0 C-N-CA 124.529 1.131 . . . . 0.0 113.452 -176.561 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.4 mp -98.11 8.47 44.74 Favored 'General case' 0 C--N 1.345 0.408 0 O-C-N 121.331 -0.855 . . . . 0.0 111.406 -175.398 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 . . . . . 0 C--N 1.35 0.623 0 N-CA-C 116.597 2.073 . . . . 0.0 116.597 172.542 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.498 -1.018 0 N-CA-C 110.375 -1.09 . . . . 0.0 110.375 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.1 tt -58.56 -36.26 58.75 Favored 'Isoleucine or valine' 0 C--N 1.346 0.42 0 C-N-CA 125.784 1.634 . . . . 0.0 113.642 -174.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -59.42 -31.47 70.29 Favored Glycine 0 C--N 1.353 1.511 0 O-C-N 120.718 -1.239 . . . . 0.0 114.3 175.484 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.63 -4.58 89.35 Favored Glycine 0 C--N 1.35 1.312 0 O-C-N 121.697 -0.884 . . . . 0.0 113.35 177.141 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -98.05 -55.7 2.7 Favored 'General case' 0 N--CA 1.445 -0.696 0 O-C-N 121.102 -1.234 . . . . 0.0 109.725 168.299 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 28.6 pt -70.75 -42.18 77.59 Favored 'Isoleucine or valine' 0 C--N 1.351 0.66 0 N-CA-C 115.384 1.624 . . . . 0.0 115.384 -174.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 87.9 mt -77.4 -20.63 54.37 Favored 'General case' 0 C--N 1.354 0.785 0 O-C-N 119.345 -2.097 . . . . 0.0 111.659 -176.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.4 m -71.91 -14.3 61.89 Favored 'General case' 0 CA--C 1.512 -0.503 0 C-N-CA 125.421 1.488 . . . . 0.0 112.671 176.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.97 -47.87 1.54 Allowed Glycine 0 C--N 1.35 1.361 0 O-C-N 121.324 -0.86 . . . . 0.0 111.908 161.564 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -66.86 -48.7 68.01 Favored 'General case' 0 C--N 1.35 0.599 0 N-CA-C 115.388 1.625 . . . . 0.0 115.388 -171.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm -74.68 -36.79 62.78 Favored 'General case' 0 C--N 1.35 0.592 0 O-C-N 119.673 -1.892 . . . . 0.0 111.396 177.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.8 m -59.85 -43.55 94.59 Favored 'General case' 0 CA--C 1.511 -0.555 0 C-N-CA 124.701 1.201 . . . . 0.0 112.709 175.642 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.79 -48.28 75.03 Favored 'General case' 0 C--N 1.347 0.487 0 O-C-N 120.08 -1.638 . . . . 0.0 113.191 170.391 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 46.2 tp -62.91 -41.81 99.57 Favored 'General case' 0 C--N 1.349 0.571 0 N-CA-C 115.517 1.673 . . . . 0.0 115.517 -175.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -146.3 17.69 1.36 Allowed 'General case' 0 N--CA 1.45 -0.467 0 O-C-N 120.008 -1.682 . . . . 0.0 113.862 -174.097 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -100.81 -78.82 1.38 Allowed Glycine 0 C--N 1.346 1.1 0 N-CA-C 107.344 -2.302 . . . . 0.0 107.344 159.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.76 -41.84 87.48 Favored 'General case' 0 N--CA 1.451 -0.421 0 O-C-N 120.989 -1.301 . . . . 0.0 113.595 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.15 12.96 16.34 Favored 'General case' 0 N--CA 1.447 -0.582 0 O-C-N 120.456 -1.403 . . . . 0.0 112.505 174.677 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.66 -50.4 6.28 Favored 'General case' 0 C--N 1.353 0.757 0 O-C-N 119.546 -1.971 . . . . 0.0 107.849 150.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -59.83 -44.77 93.89 Favored 'General case' 0 C--N 1.355 0.826 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 -176.749 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 43.6 tp -60.89 -32.7 72.14 Favored 'General case' 0 C--N 1.347 0.485 0 O-C-N 120.853 -1.155 . . . . 0.0 113.603 175.342 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -98.46 2.08 47.36 Favored 'General case' 0 N--CA 1.445 -0.723 0 O-C-N 120.667 -1.271 . . . . 0.0 112.125 -177.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 t -65.02 -33.91 77.16 Favored 'General case' 0 CA--C 1.509 -0.633 0 N-CA-C 114.835 1.42 . . . . 0.0 114.835 -162.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.3 m -94.54 2.47 55.68 Favored 'General case' 0 C--N 1.342 0.271 0 CA-C-O 121.873 0.844 . . . . 0.0 110.771 -176.551 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -124.3 -37.64 2.52 Favored 'General case' 0 C--N 1.348 0.514 0 O-C-N 120.723 -1.235 . . . . 0.0 111.201 -170.355 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -109.14 0.32 19.74 Favored 'General case' 0 C--N 1.347 0.48 0 C-N-CA 123.918 0.887 . . . . 0.0 109.583 177.118 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 62.3 m-70 . . . . . 0 C--N 1.349 0.553 0 N-CA-C 116.094 1.887 . . . . 0.0 116.094 171.514 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.498 -1.002 0 N-CA-C 110.356 -1.097 . . . . 0.0 110.356 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.1 tt -58.58 -36.48 59.87 Favored 'Isoleucine or valine' 0 C--N 1.346 0.418 0 C-N-CA 125.788 1.635 . . . . 0.0 113.728 -174.468 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -59.39 -31.72 70.82 Favored Glycine 0 C--N 1.353 1.514 0 O-C-N 120.737 -1.227 . . . . 0.0 114.386 175.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.75 -4.84 89.53 Favored Glycine 0 C--N 1.35 1.308 0 O-C-N 121.69 -0.888 . . . . 0.0 113.341 177.206 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -97.43 -54.91 2.99 Favored 'General case' 0 N--CA 1.445 -0.718 0 O-C-N 121.102 -1.234 . . . . 0.0 109.835 168.181 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 28.4 pt -71.49 -42.84 72.7 Favored 'Isoleucine or valine' 0 C--N 1.352 0.684 0 N-CA-C 115.434 1.642 . . . . 0.0 115.434 -174.68 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 87.4 mt -76.31 -20.52 57.21 Favored 'General case' 0 C--N 1.354 0.778 0 O-C-N 119.406 -2.058 . . . . 0.0 111.61 -176.039 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.0 m -70.89 -13.53 62.06 Favored 'General case' 0 CA--C 1.513 -0.473 0 C-N-CA 126.133 1.773 . . . . 0.0 112.928 176.535 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.55 -48.78 1.16 Allowed Glycine 0 C--N 1.351 1.391 0 O-C-N 121.328 -0.858 . . . . 0.0 111.92 158.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -64.33 -40.82 96.66 Favored 'General case' 0 C--N 1.349 0.557 0 N-CA-C 115.568 1.692 . . . . 0.0 115.568 -169.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.9 mmtm -101.34 -18.73 15.93 Favored 'General case' 0 C--N 1.346 0.429 0 O-C-N 119.53 -1.981 . . . . 0.0 111.789 178.695 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 49.9 m -63.08 -38.18 90.17 Favored 'General case' 0 CA--C 1.511 -0.527 0 C-N-CA 124.202 1.001 . . . . 0.0 112.054 166.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.11 -44.52 94.79 Favored 'General case' 0 N--CA 1.448 -0.555 0 O-C-N 119.934 -1.729 . . . . 0.0 113.323 171.42 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.2 tp -76.28 -50.01 15.5 Favored 'General case' 0 C--N 1.348 0.524 0 N-CA-C 115.456 1.65 . . . . 0.0 115.456 -179.031 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.06 3.62 22.24 Favored 'General case' 0 C--N 1.35 0.618 0 O-C-N 120.17 -1.581 . . . . 0.0 111.149 -170.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -104.59 -83.96 1.73 Allowed Glycine 0 CA--C 1.496 -1.135 0 N-CA-C 107.948 -2.061 . . . . 0.0 107.948 162.438 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.43 -51.79 66.14 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 116.12 1.896 . . . . 0.0 116.12 -170.114 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.39 -49.21 64.85 Favored 'General case' 0 C--N 1.35 0.597 0 N-CA-C 115.441 1.645 . . . . 0.0 115.441 -172.618 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.16 -41.03 82.14 Favored 'General case' 0 C--N 1.351 0.652 0 O-C-N 120.54 -1.35 . . . . 0.0 113.01 179.444 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -74.36 -36.98 63.61 Favored 'General case' 0 C--N 1.347 0.476 0 O-C-N 120.252 -1.53 . . . . 0.0 113.345 -178.657 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 47.8 tp -62.76 -39.57 94.57 Favored 'General case' 0 C--N 1.353 0.748 0 O-C-N 120.215 -1.553 . . . . 0.0 112.977 170.53 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.96 18.33 6.79 Favored 'General case' 0 N--CA 1.445 -0.71 0 O-C-N 120.385 -1.447 . . . . 0.0 112.607 179.264 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.9 t -70.88 -17.38 62.72 Favored 'General case' 0 C--N 1.352 0.687 0 O-C-N 119.988 -1.695 . . . . 0.0 114.479 -169.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.9 m -72.66 -20.08 61.32 Favored 'General case' 0 C--N 1.342 0.28 0 O-C-N 121.168 -0.958 . . . . 0.0 111.807 173.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -116.81 -36.19 3.94 Favored 'General case' 0 C--N 1.349 0.562 0 O-C-N 120.993 -1.067 . . . . 0.0 110.969 -170.443 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -106.48 3.36 27.12 Favored 'General case' 0 C--N 1.348 0.533 0 C-N-CA 124.024 0.929 . . . . 0.0 110.842 -177.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 . . . . . 0 C--N 1.348 0.539 0 N-CA-C 116.645 2.091 . . . . 0.0 116.645 170.582 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.498 -1.015 0 N-CA-C 110.379 -1.089 . . . . 0.0 110.379 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.5 tt -59.03 -37.53 68.37 Favored 'Isoleucine or valine' 0 C--N 1.346 0.414 0 C-N-CA 125.504 1.521 . . . . 0.0 113.492 -175.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.55 -30.13 61.75 Favored Glycine 0 C--N 1.353 1.526 0 C-N-CA 125.252 1.406 . . . . 0.0 114.099 176.282 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.41 -1.21 75.06 Favored Glycine 0 C--N 1.349 1.293 0 C-N-CA 124.799 1.19 . . . . 0.0 114.117 -178.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.01 -28.51 2.64 Favored 'General case' 0 N--CA 1.449 -0.491 0 O-C-N 121.009 -1.289 . . . . 0.0 112.64 168.596 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 30.2 pt -72.83 -43.24 60.64 Favored 'Isoleucine or valine' 0 C--N 1.356 0.871 0 O-C-N 119.534 -1.979 . . . . 0.0 113.799 172.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 86.6 mt -75.95 -21.19 57.27 Favored 'General case' 0 C--N 1.355 0.835 0 O-C-N 119.55 -1.969 . . . . 0.0 111.466 -178.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.8 m -69.69 -14.09 62.63 Favored 'General case' 0 CA--C 1.514 -0.438 0 C-N-CA 126.487 1.915 . . . . 0.0 113.206 177.596 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.43 -48.87 1.08 Allowed Glycine 0 C--N 1.352 1.417 0 O-C-N 121.324 -0.86 . . . . 0.0 112.016 157.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -64.12 -34.28 77.68 Favored 'General case' 0 C--N 1.348 0.538 0 N-CA-C 115.554 1.687 . . . . 0.0 115.554 -168.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.2 mmtm -109.15 -18.52 13.61 Favored 'General case' 0 C--N 1.345 0.405 0 O-C-N 118.95 -2.343 . . . . 0.0 112.802 174.564 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 45.8 m -61.98 -39.14 91.16 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-N 119.515 1.052 . . . . 0.0 112.087 167.617 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.43 -37.28 70.02 Favored 'General case' 0 C--N 1.348 0.503 0 O-C-N 120.062 -1.649 . . . . 0.0 113.339 173.271 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 50.1 tp -77.76 -48.2 17.19 Favored 'General case' 0 C--N 1.347 0.466 0 N-CA-C 114.651 1.352 . . . . 0.0 114.651 174.216 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -117.39 4.63 12.52 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 120.906 -1.121 . . . . 0.0 113.891 -164.258 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -115.4 -19.65 5.75 Favored Glycine 0 C--N 1.34 0.757 0 O-C-N 119.732 -1.855 . . . . 0.0 111.66 164.143 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -117.83 -75.55 0.58 Allowed 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 123.623 0.769 . . . . 0.0 111.715 -177.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.72 -45.85 90.9 Favored 'General case' 0 C--N 1.352 0.675 0 N-CA-C 117.004 2.224 . . . . 0.0 117.004 -166.142 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.77 -37.33 86.05 Favored 'General case' 0 C--N 1.352 0.703 0 O-C-N 120.073 -1.642 . . . . 0.0 112.797 175.336 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -69.53 -41.89 75.36 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 125.498 1.519 . . . . 0.0 112.507 178.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 50.9 tp -61.24 -40.18 93.06 Favored 'General case' 0 C--N 1.346 0.415 0 C-N-CA 125.295 1.438 . . . . 0.0 113.01 171.138 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.0 4.16 52.8 Favored 'General case' 0 N--CA 1.446 -0.645 0 O-C-N 120.519 -1.363 . . . . 0.0 112.768 -179.157 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 t -61.86 -37.35 84.18 Favored 'General case' 0 C--N 1.352 0.706 0 C-N-CA 124.713 1.205 . . . . 0.0 113.683 -170.404 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.8 m -59.83 -37.49 79.35 Favored 'General case' 0 CA--C 1.516 -0.352 0 C-N-CA 125.541 1.537 . . . . 0.0 113.002 175.647 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -102.84 -27.16 12.83 Favored 'General case' 0 C--N 1.346 0.44 0 O-C-N 121.374 -0.829 . . . . 0.0 112.594 -167.543 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.0 mp -109.68 -11.13 14.78 Favored 'General case' 0 C--N 1.347 0.496 0 O-C-N 121.061 -1.025 . . . . 0.0 111.545 -177.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 35.3 m80 . . . . . 0 CA--C 1.511 -0.55 0 O-C-N 120.521 -1.362 . . . . 0.0 111.109 -171.636 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.087 0 N-CA-C 110.411 -1.076 . . . . 0.0 110.411 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.0 tt -57.99 -38.53 67.38 Favored 'Isoleucine or valine' 0 C--N 1.345 0.383 0 C-N-CA 125.895 1.678 . . . . 0.0 113.72 -173.348 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -59.76 -30.79 69.93 Favored Glycine 0 C--N 1.353 1.506 0 O-C-N 120.6 -1.313 . . . . 0.0 114.206 176.439 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.3 -5.42 85.46 Favored Glycine 0 C--N 1.348 1.249 0 O-C-N 121.28 -1.13 . . . . 0.0 113.798 -177.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.63 15.1 13.64 Favored 'General case' 0 N--CA 1.449 -0.512 0 O-C-N 121.093 -1.24 . . . . 0.0 112.168 172.25 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 22.3 pt -128.62 -41.56 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.83 0 O-C-N 121.185 -0.947 . . . . 0.0 112.456 166.573 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 94.7 mt -66.58 -33.49 75.78 Favored 'General case' 0 C--N 1.354 0.78 0 O-C-N 119.588 -1.945 . . . . 0.0 111.92 -179.417 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.3 m -63.32 -11.83 25.1 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 127.648 2.379 . . . . 0.0 114.59 175.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.69 -49.2 0.97 Allowed Glycine 0 C--N 1.352 1.422 0 O-C-N 121.179 -0.951 . . . . 0.0 111.616 159.611 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -62.62 -39.25 93.22 Favored 'General case' 0 C--N 1.348 0.531 0 N-CA-C 115.624 1.713 . . . . 0.0 115.624 -169.559 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.2 mmtm -105.71 -15.84 14.85 Favored 'General case' 0 C--N 1.347 0.473 0 O-C-N 119.617 -1.927 . . . . 0.0 112.32 176.297 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 57.5 m -63.23 -39.64 95.18 Favored 'General case' 0 CA--C 1.511 -0.554 0 O-C-N 121.105 -0.997 . . . . 0.0 111.676 166.483 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.85 -41.1 77.31 Favored 'General case' 0 C--N 1.348 0.509 0 O-C-N 120.236 -1.54 . . . . 0.0 113.161 173.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 48.9 tp -73.52 -49.85 24.47 Favored 'General case' 0 C--N 1.346 0.448 0 N-CA-C 114.948 1.462 . . . . 0.0 114.948 173.631 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.4 -3.51 16.08 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 120.256 -1.527 . . . . 0.0 113.685 -164.276 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -114.0 -19.98 6.18 Favored Glycine 0 CA--C 1.5 -0.851 0 O-C-N 119.885 -1.759 . . . . 0.0 111.885 171.609 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -115.1 -75.76 0.58 Allowed 'General case' 0 N--CA 1.445 -0.711 0 O-C-N 121.901 -0.764 . . . . 0.0 111.049 177.386 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.55 -44.77 89.77 Favored 'General case' 0 C--N 1.351 0.652 0 N-CA-C 116.743 2.127 . . . . 0.0 116.743 -164.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? -62.94 -43.66 98.19 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 120.442 -1.411 . . . . 0.0 112.907 174.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -70.94 -36.76 72.73 Favored 'General case' 0 C--N 1.346 0.419 0 O-C-N 120.922 -1.111 . . . . 0.0 112.83 -178.796 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.2 tt -60.42 -40.84 92.47 Favored 'General case' 0 C--N 1.347 0.474 0 C-N-CA 124.992 1.317 . . . . 0.0 112.538 170.404 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -92.68 12.82 22.0 Favored 'General case' 0 N--CA 1.446 -0.652 0 O-C-N 120.57 -1.331 . . . . 0.0 112.762 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.0 t -60.64 -31.88 71.07 Favored 'General case' 0 C--N 1.353 0.727 0 O-C-N 120.491 -1.381 . . . . 0.0 114.562 -170.036 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.3 m -58.22 -38.92 77.74 Favored 'General case' 0 C--N 1.342 0.281 0 C-N-CA 124.737 1.215 . . . . 0.0 113.006 174.61 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -105.21 -21.95 13.16 Favored 'General case' 0 C--N 1.347 0.481 0 O-C-N 121.16 -0.963 . . . . 0.0 112.423 -171.26 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -112.5 7.81 19.12 Favored 'General case' 0 C--N 1.349 0.551 0 O-C-N 120.894 -1.129 . . . . 0.0 110.901 -176.77 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.9 t-160 . . . . . 0 CA--C 1.512 -0.491 0 O-C-N 120.332 -1.48 . . . . 0.0 109.806 178.944 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.055 0 N-CA-C 110.39 -1.084 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.9 tt -58.78 -36.77 62.48 Favored 'Isoleucine or valine' 0 C--N 1.346 0.449 0 C-N-CA 125.634 1.574 . . . . 0.0 113.619 -174.683 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.15 -31.47 62.04 Favored Glycine 0 C--N 1.353 1.528 0 O-C-N 120.667 -1.271 . . . . 0.0 114.051 175.49 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.45 -2.3 84.08 Favored Glycine 0 C--N 1.349 1.272 0 C-N-CA 124.694 1.14 . . . . 0.0 114.21 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.54 -20.95 4.99 Favored 'General case' 0 C--N 1.348 0.509 0 O-C-N 120.904 -1.351 . . . . 0.0 112.906 170.803 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 27.8 pt -84.73 -44.07 17.42 Favored 'Isoleucine or valine' 0 C--N 1.355 0.829 0 O-C-N 120.197 -1.564 . . . . 0.0 113.203 171.602 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 87.2 mt -76.17 -22.19 55.67 Favored 'General case' 0 C--N 1.355 0.829 0 O-C-N 119.413 -2.055 . . . . 0.0 111.545 -176.633 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.7 m -69.71 -12.88 61.98 Favored 'General case' 0 CA--C 1.514 -0.442 0 C-N-CA 126.495 1.918 . . . . 0.0 113.247 175.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.58 -48.44 1.19 Allowed Glycine 0 C--N 1.352 1.42 0 O-C-N 121.405 -0.809 . . . . 0.0 111.576 159.655 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.4 tt -63.75 -42.75 97.8 Favored 'General case' 0 C--N 1.348 0.509 0 N-CA-C 115.783 1.771 . . . . 0.0 115.783 -170.526 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.4 mmtm -99.27 -19.4 17.1 Favored 'General case' 0 C--N 1.346 0.44 0 O-C-N 119.704 -1.873 . . . . 0.0 111.446 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.4 m -63.38 -39.35 94.28 Favored 'General case' 0 CA--C 1.51 -0.563 0 C-N-CA 124.165 0.986 . . . . 0.0 111.975 166.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.01 -45.78 93.42 Favored 'General case' 0 N--CA 1.448 -0.527 0 O-C-N 119.942 -1.723 . . . . 0.0 113.197 171.154 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.8 tp -73.17 -49.44 28.13 Favored 'General case' 0 C--N 1.348 0.502 0 N-CA-C 115.921 1.823 . . . . 0.0 115.921 -178.598 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.18 4.39 16.51 Favored 'General case' 0 C--N 1.35 0.619 0 O-C-N 120.07 -1.643 . . . . 0.0 111.222 -171.169 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -102.89 -81.43 1.54 Allowed Glycine 0 CA--C 1.495 -1.167 0 N-CA-C 107.909 -2.076 . . . . 0.0 107.909 163.573 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.73 -52.47 56.85 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 116.225 1.935 . . . . 0.0 116.225 -172.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.09 -48.85 66.94 Favored 'General case' 0 C--N 1.35 0.622 0 N-CA-C 116.044 1.868 . . . . 0.0 116.044 -168.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.69 -40.0 84.4 Favored 'General case' 0 C--N 1.35 0.615 0 O-C-N 120.464 -1.397 . . . . 0.0 112.888 179.651 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.3 mp0 -74.26 -37.2 63.82 Favored 'General case' 0 C--N 1.346 0.438 0 O-C-N 120.395 -1.441 . . . . 0.0 113.049 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.2 tt -63.37 -41.54 98.82 Favored 'General case' 0 C--N 1.353 0.731 0 O-C-N 120.086 -1.634 . . . . 0.0 112.893 170.633 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.6 18.11 6.72 Favored 'General case' 0 N--CA 1.447 -0.581 0 O-C-N 120.346 -1.471 . . . . 0.0 112.392 -179.13 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.4 t -68.97 -16.13 63.66 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 120.382 -1.449 . . . . 0.0 114.268 -169.307 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.6 m -59.85 -36.59 77.18 Favored 'General case' 0 C--N 1.342 0.27 0 C-N-CA 124.551 1.14 . . . . 0.0 112.831 170.102 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -123.33 -27.09 4.16 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 121.19 -0.944 . . . . 0.0 112.908 -171.232 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -107.87 18.36 21.39 Favored 'General case' 0 C--N 1.347 0.493 0 O-C-N 120.229 -1.544 . . . . 0.0 111.189 -172.013 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 60.9 t60 . . . . . 0 C--N 1.347 0.48 0 O-C-N 119.891 -1.756 . . . . 0.0 112.254 177.828 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.043 0 N-CA-C 110.282 -1.127 . . . . 0.0 110.282 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.5 tt -59.05 -37.27 66.89 Favored 'Isoleucine or valine' 0 C--N 1.346 0.421 0 C-N-CA 125.565 1.546 . . . . 0.0 113.471 -175.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.49 -30.0 61.41 Favored Glycine 0 C--N 1.354 1.576 0 C-N-CA 125.306 1.431 . . . . 0.0 114.105 176.084 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.47 -1.51 76.51 Favored Glycine 0 C--N 1.349 1.299 0 C-N-CA 124.784 1.183 . . . . 0.0 114.13 -178.744 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.35 -29.61 2.7 Favored 'General case' 0 C--N 1.348 0.51 0 O-C-N 121.114 -1.227 . . . . 0.0 112.494 168.621 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 29.3 pt -72.01 -42.66 68.19 Favored 'Isoleucine or valine' 0 C--N 1.356 0.884 0 O-C-N 119.539 -1.976 . . . . 0.0 113.736 173.195 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 86.6 mt -77.18 -22.97 51.6 Favored 'General case' 0 C--N 1.354 0.78 0 O-C-N 119.61 -1.931 . . . . 0.0 111.659 -179.051 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.8 m -71.67 -15.37 62.22 Favored 'General case' 0 CA--C 1.512 -0.491 0 C-N-CA 125.653 1.581 . . . . 0.0 112.92 178.217 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.51 -47.11 1.71 Allowed Glycine 0 C--N 1.35 1.344 0 O-C-N 121.352 -0.843 . . . . 0.0 111.587 161.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.9 tt -65.98 -46.66 77.24 Favored 'General case' 0 C--N 1.348 0.528 0 N-CA-C 115.685 1.735 . . . . 0.0 115.685 -172.251 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.6 mmtm -83.05 -25.99 31.58 Favored 'General case' 0 C--N 1.348 0.516 0 O-C-N 119.607 -1.933 . . . . 0.0 111.556 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 32.8 m -62.88 -45.42 92.65 Favored 'General case' 0 CA--C 1.511 -0.529 0 C-N-CA 124.039 0.936 . . . . 0.0 111.808 170.115 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.86 -45.78 80.87 Favored 'General case' 0 C--N 1.348 0.529 0 O-C-N 120.436 -1.415 . . . . 0.0 113.595 170.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.5 tp -64.2 -40.24 95.67 Favored 'General case' 0 C--N 1.35 0.598 0 N-CA-C 115.524 1.675 . . . . 0.0 115.524 -176.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.31 -26.99 0.98 Allowed 'General case' 0 C--N 1.351 0.656 0 O-C-N 120.304 -1.497 . . . . 0.0 114.685 -177.421 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.37 -59.52 9.47 Favored Glycine 0 C--N 1.354 1.567 0 CA-C-N 121.887 2.13 . . . . 0.0 115.457 164.319 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.77 -35.41 80.5 Favored 'General case' 0 N--CA 1.449 -0.485 0 O-C-N 120.761 -1.435 . . . . 0.0 112.299 177.769 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -88.39 14.01 10.55 Favored 'General case' 0 N--CA 1.444 -0.741 0 O-C-N 120.922 -1.111 . . . . 0.0 112.548 178.652 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -94.07 -60.77 1.66 Allowed 'General case' 0 C--N 1.349 0.553 0 N-CA-C 106.853 -1.536 . . . . 0.0 106.853 150.481 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.05 -36.9 83.0 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 -166.442 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -102.51 -0.89 31.55 Favored 'General case' 0 C--N 1.346 0.447 0 O-C-N 120.768 -1.208 . . . . 0.0 112.817 176.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -137.11 9.04 2.98 Favored 'General case' 0 C--N 1.354 0.769 0 N-CA-C 116.019 1.859 . . . . 0.0 116.019 -174.175 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.2 m -63.63 -36.98 85.63 Favored 'General case' 0 C--N 1.349 0.577 0 O-C-N 119.868 -1.77 . . . . 0.0 112.401 176.47 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.0 m -57.38 -39.64 76.49 Favored 'General case' 0 C--N 1.344 0.35 0 C-N-CA 125.385 1.474 . . . . 0.0 113.316 176.095 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -100.49 -12.6 19.19 Favored 'General case' 0 C--N 1.347 0.492 0 O-C-N 121.076 -1.015 . . . . 0.0 112.796 -168.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -115.81 3.93 13.86 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 121.101 -0.999 . . . . 0.0 110.67 178.219 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 . . . . . 0 CA--C 1.511 -0.521 0 O-C-N 120.795 -1.191 . . . . 0.0 109.63 179.892 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.059 0 N-CA-C 109.994 -1.242 . . . . 0.0 109.994 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.4 tt -60.28 -38.1 76.23 Favored 'Isoleucine or valine' 0 C--N 1.346 0.415 0 C-N-CA 125.402 1.481 . . . . 0.0 113.41 -178.186 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -66.21 -26.96 72.64 Favored Glycine 0 C--N 1.351 1.407 0 C-N-CA 124.148 0.88 . . . . 0.0 114.257 173.128 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.2 -40.84 70.7 Favored Glycine 0 C--N 1.349 1.256 0 O-C-N 120.71 -1.465 . . . . 0.0 113.167 -173.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.75 -42.04 91.4 Favored 'General case' 0 C--N 1.346 0.446 0 O-C-N 121.11 -1.229 . . . . 0.0 114.02 176.274 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 38.3 pt -68.57 -42.33 83.46 Favored 'Isoleucine or valine' 0 C--N 1.354 0.792 0 O-C-N 120.267 -1.521 . . . . 0.0 113.276 174.156 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 79.7 mt -64.01 -39.91 95.17 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 120.33 -1.481 . . . . 0.0 113.158 175.558 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.3 t -60.71 -45.23 95.01 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 123.541 0.736 . . . . 0.0 112.709 174.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.55 -41.5 84.19 Favored Glycine 0 C--N 1.353 1.511 0 O-C-N 120.53 -1.357 . . . . 0.0 113.279 177.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.92 -46.73 83.48 Favored 'General case' 0 C--N 1.347 0.499 0 O-C-N 121.441 -1.035 . . . . 0.0 112.898 175.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -66.41 -40.61 89.67 Favored 'General case' 0 C--N 1.35 0.59 0 O-C-N 120.114 -1.616 . . . . 0.0 113.236 175.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 92.8 m -61.61 -44.42 97.03 Favored 'General case' 0 C--N 1.348 0.528 0 O-C-N 121.477 -0.765 . . . . 0.0 111.843 176.029 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.71 -47.22 81.99 Favored 'General case' 0 N--CA 1.449 -0.498 0 O-C-N 120.427 -1.421 . . . . 0.0 113.729 173.087 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.4 tp -66.84 -42.38 85.88 Favored 'General case' 0 C--N 1.347 0.496 0 N-CA-C 115.563 1.69 . . . . 0.0 115.563 -178.488 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -154.67 22.44 0.46 Allowed 'General case' 0 N--CA 1.45 -0.455 0 O-C-N 119.762 -1.836 . . . . 0.0 112.665 -168.035 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -105.66 -76.37 1.04 Allowed Glycine 0 C--N 1.348 1.247 0 N-CA-C 108.273 -1.931 . . . . 0.0 108.273 164.202 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.5 -41.92 95.31 Favored 'General case' 0 N--CA 1.449 -0.505 0 O-C-N 120.669 -1.489 . . . . 0.0 112.358 174.671 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.54 17.98 6.81 Favored 'General case' 0 N--CA 1.448 -0.573 0 O-C-N 120.832 -1.168 . . . . 0.0 112.4 174.485 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.9 tttm -93.25 -58.78 2.2 Favored 'General case' 0 C--N 1.349 0.578 0 O-C-N 120.265 -1.522 . . . . 0.0 108.063 150.648 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.56 -43.17 97.55 Favored 'General case' 0 C--N 1.345 0.396 0 N-CA-C 114.986 1.476 . . . . 0.0 114.986 -174.17 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 34.4 tp -74.13 -17.19 60.96 Favored 'General case' 0 C--N 1.347 0.484 0 O-C-N 120.166 -1.584 . . . . 0.0 112.624 177.729 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -106.11 -1.96 23.17 Favored 'General case' 0 N--CA 1.444 -0.756 0 O-C-N 120.442 -1.411 . . . . 0.0 112.325 -178.385 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.4 t -62.16 -40.62 96.59 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 120.863 -1.148 . . . . 0.0 113.878 -164.812 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.3 m -59.54 -38.59 81.46 Favored 'General case' 0 C--N 1.345 0.406 0 C-N-CA 125.399 1.48 . . . . 0.0 112.674 175.117 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -93.55 -0.89 56.08 Favored 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 120.892 -1.13 . . . . 0.0 111.432 -168.435 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -112.65 12.96 19.86 Favored 'General case' 0 C--N 1.345 0.395 0 C-N-CA 124.909 1.284 . . . . 0.0 108.192 168.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 60.3 t-80 . . . . . 0 N--CA 1.448 -0.533 0 O-C-N 120.927 -1.108 . . . . 0.0 109.75 179.471 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.04 0 N-CA-C 110.374 -1.091 . . . . 0.0 110.374 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.0 tt -58.39 -35.35 53.61 Favored 'Isoleucine or valine' 0 C--N 1.345 0.401 0 C-N-CA 125.939 1.695 . . . . 0.0 113.653 -174.605 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.69 -31.89 68.41 Favored Glycine 0 C--N 1.353 1.499 0 O-C-N 120.857 -1.152 . . . . 0.0 114.484 175.632 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.5 -4.74 89.3 Favored Glycine 0 C--N 1.35 1.313 0 O-C-N 121.692 -0.887 . . . . 0.0 113.308 177.416 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 54.4 tttp -98.54 -55.79 2.64 Favored 'General case' 0 N--CA 1.444 -0.744 0 O-C-N 121.169 -1.195 . . . . 0.0 109.807 168.332 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 27.6 pt -70.51 -42.21 78.18 Favored 'Isoleucine or valine' 0 C--N 1.352 0.687 0 N-CA-C 115.365 1.617 . . . . 0.0 115.365 -174.641 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 83.7 mt -77.49 -20.56 54.16 Favored 'General case' 0 C--N 1.353 0.755 0 O-C-N 119.501 -1.999 . . . . 0.0 111.614 -176.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.2 m -72.05 -14.38 61.85 Favored 'General case' 0 CA--C 1.513 -0.477 0 C-N-CA 125.568 1.547 . . . . 0.0 112.733 176.728 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.01 -48.74 1.32 Allowed Glycine 0 C--N 1.351 1.366 0 O-C-N 121.304 -0.873 . . . . 0.0 111.696 160.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -66.58 -47.26 73.3 Favored 'General case' 0 C--N 1.348 0.543 0 N-CA-C 115.23 1.567 . . . . 0.0 115.23 -171.417 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.7 mmtm -85.46 -23.13 27.95 Favored 'General case' 0 C--N 1.348 0.504 0 O-C-N 119.472 -2.018 . . . . 0.0 111.383 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 45.2 m -62.63 -45.97 90.38 Favored 'General case' 0 CA--C 1.512 -0.513 0 O-C-N 121.205 -0.935 . . . . 0.0 111.709 169.011 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.12 -47.07 75.33 Favored 'General case' 0 C--N 1.348 0.522 0 O-C-N 120.399 -1.438 . . . . 0.0 113.598 171.153 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 29.1 tp -74.34 -20.35 60.13 Favored 'General case' 0 C--N 1.349 0.562 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 -172.305 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -143.32 -21.37 0.62 Allowed 'General case' 0 C--N 1.349 0.576 0 O-C-N 119.649 -1.907 . . . . 0.0 115.721 178.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.28 -57.65 3.59 Favored Glycine 0 C--N 1.352 1.448 0 CA-C-N 121.021 1.737 . . . . 0.0 112.55 171.069 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.3 -40.57 96.71 Favored 'General case' 0 C--N 1.346 0.434 0 O-C-N 120.497 -1.59 . . . . 0.0 111.396 174.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -83.79 24.1 0.92 Allowed 'General case' 0 N--CA 1.443 -0.797 0 O-C-N 121.273 -0.892 . . . . 0.0 113.097 170.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.404 ' NZ ' ' OE2' ' A' ' 20' ' ' GLU . 1.9 ttpm? -101.64 -60.85 1.46 Allowed 'General case' 0 C--N 1.35 0.604 0 O-C-N 119.049 -2.282 . . . . 0.0 107.22 150.498 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.404 ' OE2' ' NZ ' ' A' ' 19' ' ' LYS . 1.7 mp0 -57.17 -41.59 79.55 Favored 'General case' 0 C--N 1.343 0.321 0 N-CA-C 115.061 1.504 . . . . 0.0 115.061 -175.24 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 35.7 tp -75.97 -17.71 59.61 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 120.491 -1.381 . . . . 0.0 112.875 175.075 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -100.91 -21.78 14.99 Favored 'General case' 0 N--CA 1.448 -0.574 0 O-C-N 120.03 -1.669 . . . . 0.0 113.029 -176.003 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.8 m -60.83 -32.45 71.83 Favored 'General case' 0 C--N 1.349 0.585 0 O-C-N 120.31 -1.494 . . . . 0.0 113.253 -178.194 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.0 m -56.75 -37.31 70.85 Favored 'General case' 0 C--N 1.342 0.258 0 C-N-CA 124.61 1.164 . . . . 0.0 113.277 172.823 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -107.52 -25.9 11.17 Favored 'General case' 0 C--N 1.349 0.55 0 O-C-N 121.271 -0.893 . . . . 0.0 112.924 -171.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -109.76 -4.79 15.86 Favored 'General case' 0 C--N 1.349 0.578 0 O-C-N 120.783 -1.198 . . . . 0.0 111.959 -176.771 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 31.3 m170 . . . . . 0 CA--C 1.509 -0.606 0 O-C-N 120.379 -1.45 . . . . 0.0 109.871 177.872 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.038 0 N-CA-C 110.289 -1.124 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.5 tt -59.05 -37.34 67.37 Favored 'Isoleucine or valine' 0 C--N 1.345 0.4 0 C-N-CA 125.527 1.531 . . . . 0.0 113.446 -176.007 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.75 -29.6 61.71 Favored Glycine 0 C--N 1.354 1.557 0 C-N-CA 125.256 1.408 . . . . 0.0 114.057 175.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.39 -1.43 75.77 Favored Glycine 0 C--N 1.349 1.299 0 C-N-CA 124.827 1.203 . . . . 0.0 114.081 -179.009 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.54 -29.69 2.64 Favored 'General case' 0 C--N 1.348 0.504 0 O-C-N 121.128 -1.219 . . . . 0.0 112.65 168.574 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 29.1 pt -72.32 -42.82 65.52 Favored 'Isoleucine or valine' 0 C--N 1.356 0.872 0 O-C-N 119.467 -2.021 . . . . 0.0 113.696 173.18 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 87.4 mt -77.67 -22.39 50.63 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 119.503 -1.998 . . . . 0.0 111.453 -179.118 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.6 m -71.92 -14.74 62.01 Favored 'General case' 0 CA--C 1.512 -0.508 0 C-N-CA 125.506 1.522 . . . . 0.0 112.918 177.64 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.67 -46.99 1.86 Allowed Glycine 0 C--N 1.35 1.347 0 O-C-N 121.347 -0.845 . . . . 0.0 111.728 162.437 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.3 tt -66.05 -48.93 69.44 Favored 'General case' 0 C--N 1.35 0.59 0 N-CA-C 115.457 1.651 . . . . 0.0 115.457 -172.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -73.78 -37.55 64.93 Favored 'General case' 0 C--N 1.348 0.535 0 O-C-N 119.932 -1.73 . . . . 0.0 111.27 179.144 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.8 m -60.38 -43.41 96.63 Favored 'General case' 0 CA--C 1.511 -0.554 0 C-N-CA 125.212 1.405 . . . . 0.0 112.61 175.714 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.12 -47.76 78.72 Favored 'General case' 0 C--N 1.347 0.475 0 O-C-N 119.984 -1.698 . . . . 0.0 113.061 170.387 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 47.9 tp -62.51 -40.8 97.89 Favored 'General case' 0 C--N 1.349 0.583 0 N-CA-C 115.722 1.749 . . . . 0.0 115.722 -176.312 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -149.71 21.49 0.91 Allowed 'General case' 0 N--CA 1.451 -0.391 0 O-C-N 119.745 -1.847 . . . . 0.0 112.621 -173.031 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -106.62 -74.36 0.9 Allowed Glycine 0 C--N 1.346 1.115 0 N-CA-C 107.693 -2.163 . . . . 0.0 107.693 161.199 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.95 -44.42 94.42 Favored 'General case' 0 N--CA 1.45 -0.444 0 O-C-N 120.72 -1.459 . . . . 0.0 112.867 176.775 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.87 20.66 4.63 Favored 'General case' 0 C--N 1.349 0.561 0 O-C-N 120.538 -1.351 . . . . 0.0 112.439 173.673 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 37.9 tttm -92.96 -56.85 2.83 Favored 'General case' 0 C--N 1.349 0.545 0 O-C-N 120.075 -1.641 . . . . 0.0 108.347 150.549 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.89 -40.74 98.48 Favored 'General case' 0 C--N 1.345 0.388 0 N-CA-C 114.976 1.473 . . . . 0.0 114.976 -176.283 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 35.4 tp -74.35 -16.8 60.9 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 120.116 -1.615 . . . . 0.0 112.49 175.052 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -102.1 3.25 38.41 Favored 'General case' 0 N--CA 1.447 -0.607 0 O-C-N 120.23 -1.544 . . . . 0.0 111.605 179.597 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.6 p -61.26 -48.43 81.45 Favored 'General case' 0 C--N 1.348 0.525 0 N-CA-C 115.328 1.603 . . . . 0.0 115.328 -165.534 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 98.3 m -69.66 -45.9 67.34 Favored 'General case' 0 CA--C 1.515 -0.382 0 O-C-N 120.92 -1.113 . . . . 0.0 111.401 175.127 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -66.16 -40.5 90.59 Favored 'General case' 0 C--N 1.345 0.398 0 N-CA-C 115.374 1.62 . . . . 0.0 115.374 -172.612 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -108.81 5.52 24.67 Favored 'General case' 0 C--N 1.347 0.458 0 O-C-N 121.221 -0.924 . . . . 0.0 110.751 -176.721 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 21.6 t-160 . . . . . 0 CA--C 1.512 -0.486 0 O-C-N 120.732 -1.23 . . . . 0.0 109.792 179.172 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.498 -1.024 0 N-CA-C 110.412 -1.075 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.1 tt -58.61 -36.13 58.39 Favored 'Isoleucine or valine' 0 C--N 1.345 0.388 0 C-N-CA 125.835 1.654 . . . . 0.0 113.709 -174.703 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -59.15 -31.69 69.76 Favored Glycine 0 C--N 1.353 1.519 0 O-C-N 120.822 -1.174 . . . . 0.0 114.326 175.476 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.59 -5.26 89.38 Favored Glycine 0 C--N 1.35 1.317 0 O-C-N 121.584 -0.951 . . . . 0.0 113.353 177.39 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -96.91 -54.49 3.18 Favored 'General case' 0 N--CA 1.445 -0.69 0 O-C-N 120.944 -1.327 . . . . 0.0 109.918 167.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 30.1 pt -71.59 -43.19 71.65 Favored 'Isoleucine or valine' 0 C--N 1.351 0.65 0 N-CA-C 115.329 1.603 . . . . 0.0 115.329 -174.733 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 86.7 mt -76.19 -19.75 58.14 Favored 'General case' 0 C--N 1.354 0.802 0 O-C-N 119.459 -2.026 . . . . 0.0 111.681 -175.429 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.5 m -70.06 -14.57 62.73 Favored 'General case' 0 CA--C 1.514 -0.432 0 C-N-CA 125.802 1.641 . . . . 0.0 112.954 176.657 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.24 -48.59 1.13 Allowed Glycine 0 C--N 1.352 1.424 0 O-C-N 121.208 -0.933 . . . . 0.0 111.914 158.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -64.35 -35.07 79.69 Favored 'General case' 0 C--N 1.349 0.577 0 N-CA-C 115.259 1.578 . . . . 0.0 115.259 -169.719 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.8 mmtm -109.74 -17.8 13.59 Favored 'General case' 0 CA--C 1.514 -0.431 0 O-C-N 119.053 -2.28 . . . . 0.0 112.77 175.184 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 38.0 m -65.28 -47.92 75.0 Favored 'General case' 0 CA--C 1.511 -0.533 0 O-C-N 120.468 -1.395 . . . . 0.0 112.01 168.452 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.55 -51.02 31.45 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 120.448 -1.408 . . . . 0.0 112.147 174.646 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 34.3 tp -99.84 61.7 1.14 Allowed 'General case' 0 C--N 1.347 0.462 0 O-C-N 120.172 -1.58 . . . . 0.0 110.432 -175.765 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.1 tptm 177.77 -48.06 0.01 OUTLIER 'General case' 0 C--N 1.347 0.473 0 C-N-CA 127.732 2.413 . . . . 0.0 108.44 159.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.49 -67.96 1.68 Allowed Glycine 0 C--N 1.352 1.443 0 O-C-N 121.701 -0.624 . . . . 0.0 113.106 179.283 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.3 -37.93 84.98 Favored 'General case' 0 C--N 1.347 0.479 0 C-N-CA 124.83 1.252 . . . . 0.0 112.213 179.551 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.76 -47.13 64.26 Favored 'General case' 0 C--N 1.347 0.498 0 N-CA-C 115.307 1.595 . . . . 0.0 115.307 168.186 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.19 -40.72 82.15 Favored 'General case' 0 C--N 1.355 0.81 0 O-C-N 120.192 -1.568 . . . . 0.0 112.116 174.31 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -61.82 -49.82 74.77 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 125.41 1.484 . . . . 0.0 113.605 179.308 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -64.92 -42.03 95.04 Favored 'General case' 0 C--N 1.347 0.496 0 C-N-CA 125.778 1.631 . . . . 0.0 112.807 175.253 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.57 11.05 25.48 Favored 'General case' 0 N--CA 1.446 -0.627 0 O-C-N 120.161 -1.587 . . . . 0.0 112.334 -176.258 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.0 t -60.02 -39.55 86.24 Favored 'General case' 0 C--N 1.349 0.568 0 N-CA-C 114.379 1.251 . . . . 0.0 114.379 -170.03 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.2 m -66.14 -26.52 67.48 Favored 'General case' 0 CA--C 1.52 -0.192 0 C-N-CA 124.828 1.251 . . . . 0.0 113.127 178.486 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -111.81 -38.85 4.73 Favored 'General case' 0 C--N 1.347 0.478 0 O-C-N 120.996 -1.065 . . . . 0.0 111.084 -164.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -108.73 10.34 26.8 Favored 'General case' 0 C--N 1.347 0.494 0 O-C-N 120.958 -1.089 . . . . 0.0 110.114 -177.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 21.4 t-160 . . . . . 0 C--N 1.347 0.457 0 O-C-N 120.17 -1.581 . . . . 0.0 110.039 174.715 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.07 0 N-CA-C 110.315 -1.114 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -65.56 -20.27 27.13 Favored 'Isoleucine or valine' 0 C--N 1.344 0.36 0 C-N-CA 125.434 1.494 . . . . 0.0 113.458 -174.435 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.56 -31.05 66.24 Favored Glycine 0 C--N 1.353 1.513 0 C-N-CA 124.768 1.175 . . . . 0.0 113.862 171.799 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.3 -4.29 86.64 Favored Glycine 0 C--N 1.351 1.37 0 O-C-N 121.624 -0.927 . . . . 0.0 113.446 176.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -99.05 -56.47 2.42 Favored 'General case' 0 N--CA 1.445 -0.689 0 O-C-N 121.056 -1.261 . . . . 0.0 109.821 167.763 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 32.9 pt -70.16 -41.87 79.02 Favored 'Isoleucine or valine' 0 C--N 1.352 0.701 0 N-CA-C 115.548 1.684 . . . . 0.0 115.548 -174.739 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 81.1 mt -77.68 -20.35 53.83 Favored 'General case' 0 C--N 1.353 0.739 0 O-C-N 119.43 -2.044 . . . . 0.0 111.504 -176.744 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.3 m -71.84 -14.67 62.03 Favored 'General case' 0 CA--C 1.511 -0.526 0 C-N-CA 125.542 1.537 . . . . 0.0 112.779 176.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.76 -49.07 1.31 Allowed Glycine 0 C--N 1.351 1.394 0 O-C-N 121.306 -0.871 . . . . 0.0 111.688 161.108 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -66.48 -47.19 73.84 Favored 'General case' 0 C--N 1.349 0.559 0 N-CA-C 115.262 1.578 . . . . 0.0 115.262 -171.388 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.0 mmtm -84.66 -24.36 29.06 Favored 'General case' 0 C--N 1.348 0.508 0 O-C-N 119.567 -1.958 . . . . 0.0 111.4 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 34.9 m -63.15 -44.99 93.97 Favored 'General case' 0 CA--C 1.511 -0.523 0 O-C-N 121.454 -0.779 . . . . 0.0 111.952 169.752 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.95 -48.57 68.14 Favored 'General case' 0 C--N 1.349 0.555 0 O-C-N 120.621 -1.299 . . . . 0.0 113.61 172.002 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.5 tp -67.32 -32.32 73.2 Favored 'General case' 0 C--N 1.351 0.654 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -176.225 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . 0.335 0.9 OUTLIER -113.22 -64.08 1.36 Allowed 'General case' 0 CA--C 1.504 -0.79 0 O-C-N 119.802 -1.811 . . . . 0.0 115.275 175.733 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -54.89 -62.52 6.17 Favored Glycine 0 C--N 1.35 1.352 0 CA-C-N 120.298 1.408 . . . . 0.0 115.986 -177.144 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.51 -43.2 97.91 Favored 'General case' 0 C--N 1.345 0.385 0 O-C-N 120.294 -1.71 . . . . 0.0 112.871 -179.285 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.32 -46.07 65.88 Favored 'General case' 0 N--CA 1.441 -0.879 0 N-CA-C 120.326 3.454 . . . . 0.0 120.326 168.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? -63.39 -41.76 98.78 Favored 'General case' 0 C--N 1.35 0.612 1 N-CA-C 121.821 4.008 . . . . 0.0 121.821 151.749 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.42 -40.11 93.2 Favored 'General case' 0 N--CA 1.463 0.18 0 O-C-N 118.66 -2.525 . . . . 0.0 113.58 178.513 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.6 tt -65.88 -44.99 83.69 Favored 'General case' 0 N--CA 1.451 -0.396 0 O-C-N 120.916 -1.115 . . . . 0.0 113.441 167.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -94.13 5.22 52.4 Favored 'General case' 0 C--N 1.35 0.607 0 O-C-N 119.653 -1.904 . . . . 0.0 115.123 -168.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.7 m -70.47 -12.72 61.76 Favored 'General case' 0 C--N 1.349 0.565 0 O-C-N 119.505 -1.997 . . . . 0.0 113.255 177.722 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.6 t -76.9 -21.49 54.82 Favored 'General case' 0 C--N 1.344 0.354 0 O-C-N 120.017 -1.677 . . . . 0.0 112.663 166.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -113.98 -38.0 4.32 Favored 'General case' 0 C--N 1.352 0.677 0 O-C-N 120.593 -1.317 . . . . 0.0 113.136 -172.115 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -118.51 13.66 13.5 Favored 'General case' 0 C--N 1.348 0.529 0 C-N-CA 125.388 1.475 . . . . 0.0 109.322 -177.565 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 22.6 m80 . . . . . 0 C--O 1.239 0.543 0 N-CA-C 117.057 2.243 . . . . 0.0 117.057 168.172 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.044 0 N-CA-C 110.272 -1.131 . . . . 0.0 110.272 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.4 tt -59.1 -36.23 61.47 Favored 'Isoleucine or valine' 0 C--N 1.345 0.41 0 C-N-CA 125.554 1.541 . . . . 0.0 113.533 -176.057 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.78 -30.33 59.57 Favored Glycine 0 C--N 1.355 1.592 0 C-N-CA 125.318 1.437 . . . . 0.0 113.951 175.111 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.92 -1.35 72.69 Favored Glycine 0 C--N 1.348 1.217 0 C-N-CA 124.799 1.19 . . . . 0.0 114.118 -178.599 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.91 -29.89 2.78 Favored 'General case' 0 C--N 1.347 0.466 0 O-C-N 121.212 -1.169 . . . . 0.0 112.657 168.145 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 30.0 pt -71.97 -42.61 68.54 Favored 'Isoleucine or valine' 0 C--N 1.355 0.847 0 O-C-N 119.434 -2.041 . . . . 0.0 113.803 174.055 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.4 mt -71.89 -35.49 69.74 Favored 'General case' 0 C--N 1.354 0.802 0 O-C-N 120.065 -1.647 . . . . 0.0 111.703 177.013 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.8 m -67.27 -14.38 62.86 Favored 'General case' 0 C--N 1.346 0.423 0 C-N-CA 125.888 1.675 . . . . 0.0 113.577 178.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.05 -70.6 1.17 Allowed Glycine 0 C--N 1.346 1.129 0 N-CA-C 110.58 -1.008 . . . . 0.0 110.58 161.459 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -61.4 -46.29 90.77 Favored 'General case' 0 C--N 1.347 0.491 0 N-CA-C 115.652 1.723 . . . . 0.0 115.652 -167.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm -83.19 -23.98 32.64 Favored 'General case' 0 C--N 1.347 0.49 0 O-C-N 119.409 -2.057 . . . . 0.0 112.036 -179.683 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 64.8 m -62.92 -44.66 95.48 Favored 'General case' 0 CA--C 1.51 -0.592 0 O-C-N 121.101 -1.0 . . . . 0.0 111.431 168.474 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.79 -48.79 70.59 Favored 'General case' 0 N--CA 1.449 -0.485 0 O-C-N 120.482 -1.386 . . . . 0.0 113.666 171.054 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 30.4 tp -75.19 -21.56 58.62 Favored 'General case' 0 C--N 1.35 0.598 0 N-CA-C 114.898 1.444 . . . . 0.0 114.898 -171.273 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.4 tptp -132.46 -28.1 1.69 Allowed 'General case' 0 C--N 1.348 0.532 0 O-C-N 119.611 -1.93 . . . . 0.0 114.047 177.478 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.39 -69.16 1.42 Allowed Glycine 0 C--N 1.349 1.275 0 CA-C-N 120.344 1.429 . . . . 0.0 112.062 177.145 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.29 -37.53 77.92 Favored 'General case' 0 C--N 1.347 0.458 0 C-N-CA 124.975 1.31 . . . . 0.0 112.265 178.483 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.57 -46.88 63.59 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 125.375 1.47 . . . . 0.0 114.895 165.307 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.35 -46.15 89.97 Favored 'General case' 0 C--N 1.361 1.072 0 O-C-N 119.874 -1.766 . . . . 0.0 111.761 173.597 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -62.3 -44.65 96.02 Favored 'General case' 0 C--N 1.345 0.409 0 O-C-N 121.014 -1.054 . . . . 0.0 113.162 -178.294 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -62.59 -42.86 99.82 Favored 'General case' 0 C--N 1.348 0.514 0 C-N-CA 124.354 1.062 . . . . 0.0 113.172 172.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -92.65 9.38 35.08 Favored 'General case' 0 N--CA 1.447 -0.617 0 O-C-N 120.025 -1.672 . . . . 0.0 113.629 -173.727 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.6 m -60.97 -41.36 96.22 Favored 'General case' 0 CA--C 1.51 -0.583 0 O-C-N 120.541 -1.349 . . . . 0.0 113.944 -173.066 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.93 4.07 51.77 Favored 'General case' 0 C--N 1.343 0.309 0 CA-C-O 121.716 0.769 . . . . 0.0 111.116 -177.465 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -111.31 -38.3 5.03 Favored 'General case' 0 C--N 1.348 0.507 0 O-C-N 120.65 -1.281 . . . . 0.0 111.589 -178.529 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.8 mp -109.14 7.96 25.77 Favored 'General case' 0 C--N 1.346 0.456 0 O-C-N 121.002 -1.061 . . . . 0.0 109.8 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 63.0 t-80 . . . . . 0 N--CA 1.446 -0.663 0 O-C-N 120.802 -1.186 . . . . 0.0 108.149 173.897 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.047 0 N-CA-C 110.368 -1.093 . . . . 0.0 110.368 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.0 tt -58.29 -38.59 69.81 Favored 'Isoleucine or valine' 0 C--N 1.345 0.389 0 C-N-CA 125.807 1.643 . . . . 0.0 113.713 -173.392 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.34 -30.04 70.33 Favored Glycine 0 C--N 1.353 1.49 0 O-C-N 120.572 -1.33 . . . . 0.0 114.053 176.056 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.44 -4.71 84.88 Favored Glycine 0 C--N 1.348 1.212 0 O-C-N 121.255 -1.144 . . . . 0.0 113.765 -178.379 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.09 14.83 13.19 Favored 'General case' 0 N--CA 1.449 -0.513 0 O-C-N 121.096 -1.238 . . . . 0.0 112.194 172.225 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 20.9 pt -130.4 -37.97 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.804 0 O-C-N 121.139 -0.975 . . . . 0.0 112.454 166.751 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 90.2 mt -76.36 -22.46 54.82 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 119.339 -2.101 . . . . 0.0 111.411 -178.406 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.3 m -70.29 -11.98 61.27 Favored 'General case' 0 CA--C 1.514 -0.435 0 C-N-CA 126.221 1.809 . . . . 0.0 113.07 175.035 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.57 -49.33 1.12 Allowed Glycine 0 C--N 1.351 1.39 0 O-C-N 121.33 -0.856 . . . . 0.0 111.37 161.702 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.7 tt -65.1 -47.08 78.47 Favored 'General case' 0 C--N 1.349 0.547 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 -172.343 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -86.93 -22.87 25.37 Favored 'General case' 0 C--N 1.348 0.503 0 O-C-N 119.786 -1.821 . . . . 0.0 111.252 -179.267 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 35.4 m -63.96 -42.56 97.24 Favored 'General case' 0 CA--C 1.512 -0.514 0 C-N-CA 124.105 0.962 . . . . 0.0 111.924 168.641 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.09 -46.84 79.46 Favored 'General case' 0 N--CA 1.448 -0.56 0 O-C-N 120.28 -1.513 . . . . 0.0 113.366 169.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 26.6 tp -66.55 -45.39 79.54 Favored 'General case' 0 C--N 1.351 0.639 0 N-CA-C 115.721 1.749 . . . . 0.0 115.721 -177.591 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.2 tptp -83.12 -50.43 8.49 Favored 'General case' 0 CA--C 1.508 -0.665 0 O-C-N 119.947 -1.721 . . . . 0.0 111.044 173.252 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -78.82 -73.25 1.12 Allowed Glycine 0 CA--C 1.488 -1.609 0 O-C-N 121.306 -0.871 . . . . 0.0 111.625 -165.028 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.05 -43.77 91.73 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 -174.402 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.2 -49.01 71.41 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 115.636 1.717 . . . . 0.0 115.636 177.4 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.0 tptt -74.7 -40.4 61.38 Favored 'General case' 0 C--N 1.355 0.829 0 O-C-N 120.008 -1.682 . . . . 0.0 113.41 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.38 -37.23 84.8 Favored 'General case' 0 C--N 1.345 0.387 0 O-C-N 120.666 -1.271 . . . . 0.0 112.171 179.22 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 51.0 tp -63.7 -43.84 95.43 Favored 'General case' 0 C--N 1.354 0.801 0 O-C-N 119.924 -1.735 . . . . 0.0 112.759 166.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.3 37.15 0.72 Allowed 'General case' 0 N--CA 1.446 -0.66 0 O-C-N 119.992 -1.693 . . . . 0.0 112.994 176.145 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.2 m -59.47 -53.34 59.29 Favored 'General case' 0 C--N 1.356 0.856 0 O-C-N 120.623 -1.298 . . . . 0.0 112.683 -175.247 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.8 m -75.99 -46.08 31.39 Favored 'General case' 0 CA--C 1.513 -0.456 0 C-N-CA 123.766 0.826 . . . . 0.0 112.521 173.767 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -67.84 -42.66 81.06 Favored 'General case' 0 C--N 1.348 0.524 0 N-CA-C 115.978 1.844 . . . . 0.0 115.978 -163.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -109.73 71.03 0.75 Allowed 'General case' 0 C--N 1.346 0.45 0 N-CA-C 105.987 -1.857 . . . . 0.0 105.987 173.382 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 9.6 m80 . . . . . 0 C--N 1.346 0.444 0 C-N-CA 130.225 3.41 . . . . 0.0 117.091 -161.874 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.032 0 N-CA-C 110.375 -1.09 . . . . 0.0 110.375 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.0 tt -58.34 -35.01 51.83 Favored 'Isoleucine or valine' 0 C--N 1.346 0.424 0 C-N-CA 125.943 1.697 . . . . 0.0 113.647 -174.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.46 -31.65 67.06 Favored Glycine 0 C--N 1.353 1.525 0 O-C-N 120.79 -1.194 . . . . 0.0 114.556 175.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.33 -4.78 89.18 Favored Glycine 0 C--N 1.35 1.358 0 O-C-N 121.663 -0.904 . . . . 0.0 113.349 177.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.9 tttp -98.79 -56.36 2.46 Favored 'General case' 0 N--CA 1.444 -0.744 0 O-C-N 121.154 -1.204 . . . . 0.0 109.705 168.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 28.2 pt -69.99 -41.43 79.36 Favored 'Isoleucine or valine' 0 C--N 1.351 0.666 0 N-CA-C 115.388 1.625 . . . . 0.0 115.388 -174.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 86.6 mt -78.48 -21.53 48.84 Favored 'General case' 0 C--N 1.354 0.768 0 O-C-N 119.538 -1.976 . . . . 0.0 111.739 -177.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.3 m -71.69 -15.76 62.22 Favored 'General case' 0 CA--C 1.513 -0.445 0 C-N-CA 125.007 1.323 . . . . 0.0 112.132 175.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.15 -65.2 1.22 Allowed Glycine 0 C--N 1.348 1.244 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 160.384 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -61.73 -48.2 81.81 Favored 'General case' 0 C--N 1.348 0.506 0 N-CA-C 116.191 1.923 . . . . 0.0 116.191 -167.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.8 mmtm -72.99 -38.1 66.75 Favored 'General case' 0 C--N 1.351 0.643 0 O-C-N 119.551 -1.968 . . . . 0.0 111.753 178.318 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.7 m -59.88 -43.73 94.59 Favored 'General case' 0 CA--C 1.51 -0.571 0 C-N-CA 124.556 1.143 . . . . 0.0 112.433 175.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.95 -47.64 79.63 Favored 'General case' 0 N--CA 1.448 -0.537 0 O-C-N 120.167 -1.583 . . . . 0.0 113.231 171.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.2 tp -63.22 -41.5 99.13 Favored 'General case' 0 C--N 1.349 0.558 0 N-CA-C 115.56 1.689 . . . . 0.0 115.56 -176.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -150.1 20.47 0.87 Allowed 'General case' 0 C--N 1.346 0.426 0 O-C-N 119.823 -1.798 . . . . 0.0 113.172 -172.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -103.63 -76.78 1.14 Allowed Glycine 0 C--N 1.346 1.138 0 N-CA-C 107.58 -2.208 . . . . 0.0 107.58 160.263 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.02 -41.45 87.79 Favored 'General case' 0 N--CA 1.451 -0.412 0 O-C-N 120.817 -1.402 . . . . 0.0 112.974 178.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.91 17.73 6.45 Favored 'General case' 0 N--CA 1.447 -0.587 0 O-C-N 120.733 -1.229 . . . . 0.0 112.835 173.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.1 -52.96 4.57 Favored 'General case' 0 C--N 1.353 0.76 0 O-C-N 119.93 -1.731 . . . . 0.0 107.232 150.462 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -61.78 -43.56 98.61 Favored 'General case' 0 C--N 1.35 0.605 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 -175.121 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.8 tt -61.15 -34.42 74.98 Favored 'General case' 0 C--N 1.348 0.52 0 O-C-N 120.64 -1.287 . . . . 0.0 113.137 174.072 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.95 4.64 49.44 Favored 'General case' 0 N--CA 1.443 -0.806 0 O-C-N 120.67 -1.269 . . . . 0.0 112.187 -177.096 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 t -65.03 -41.86 94.87 Favored 'General case' 0 CA--C 1.507 -0.675 0 N-CA-C 114.785 1.402 . . . . 0.0 114.785 -162.359 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.0 m -62.88 -44.12 96.97 Favored 'General case' 0 CA--C 1.515 -0.369 0 O-C-N 120.862 -1.149 . . . . 0.0 112.299 175.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -69.86 -41.9 74.24 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.417 1.487 . . . . 0.0 114.386 -177.312 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.3 mp -99.92 -10.8 21.28 Favored 'General case' 0 C--N 1.348 0.539 0 O-C-N 121.017 -1.052 . . . . 0.0 111.873 -174.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 43.0 m170 . . . . . 0 CA--C 1.511 -0.53 0 O-C-N 121.05 -1.031 . . . . 0.0 108.821 177.463 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.498 -1.002 0 N-CA-C 110.418 -1.073 . . . . 0.0 110.418 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -59.88 -27.78 39.21 Favored 'Isoleucine or valine' 0 C--N 1.344 0.363 0 C-N-CA 126.256 1.822 . . . . 0.0 113.82 -175.645 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.93 -30.67 63.62 Favored Glycine 0 C--N 1.353 1.485 0 C-N-CA 124.983 1.278 . . . . 0.0 114.242 173.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.33 -4.46 86.9 Favored Glycine 0 C--N 1.351 1.372 0 CA-C-N 118.092 0.946 . . . . 0.0 113.51 177.46 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -99.73 -56.28 2.43 Favored 'General case' 0 N--CA 1.445 -0.688 0 O-C-N 121.161 -1.199 . . . . 0.0 109.879 167.431 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 35.9 pt -68.99 -41.58 81.83 Favored 'Isoleucine or valine' 0 C--N 1.351 0.673 0 N-CA-C 115.553 1.686 . . . . 0.0 115.553 -175.137 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 88.0 mt -77.9 -19.68 54.29 Favored 'General case' 0 C--N 1.353 0.726 0 O-C-N 119.41 -2.056 . . . . 0.0 111.62 -177.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.2 m -72.25 -14.14 61.7 Favored 'General case' 0 CA--C 1.512 -0.505 0 C-N-CA 125.264 1.425 . . . . 0.0 112.535 176.266 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.68 -47.78 1.6 Allowed Glycine 0 C--N 1.351 1.385 0 O-C-N 121.364 -0.835 . . . . 0.0 111.948 161.153 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -67.04 -48.56 67.97 Favored 'General case' 0 C--N 1.35 0.592 0 N-CA-C 115.453 1.649 . . . . 0.0 115.453 -172.032 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.4 mmtm -74.22 -36.86 63.96 Favored 'General case' 0 C--N 1.35 0.622 0 O-C-N 119.623 -1.923 . . . . 0.0 111.344 177.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.6 m -59.81 -43.54 94.44 Favored 'General case' 0 CA--C 1.511 -0.541 0 C-N-CA 124.719 1.208 . . . . 0.0 112.709 175.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.42 -47.6 78.53 Favored 'General case' 0 C--N 1.348 0.521 0 O-C-N 120.005 -1.684 . . . . 0.0 113.239 170.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 42.0 tp -63.12 -40.92 99.01 Favored 'General case' 0 C--N 1.349 0.586 0 N-CA-C 115.625 1.713 . . . . 0.0 115.625 -176.337 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -150.12 20.18 0.87 Allowed 'General case' 0 N--CA 1.451 -0.412 0 O-C-N 119.76 -1.837 . . . . 0.0 112.929 -172.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -103.79 -76.78 1.14 Allowed Glycine 0 C--N 1.347 1.187 0 N-CA-C 107.541 -2.224 . . . . 0.0 107.541 160.313 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.51 -41.56 85.71 Favored 'General case' 0 N--CA 1.45 -0.44 0 O-C-N 120.558 -1.554 . . . . 0.0 112.925 178.173 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.85 17.59 6.54 Favored 'General case' 0 N--CA 1.446 -0.656 0 O-C-N 120.61 -1.306 . . . . 0.0 112.955 173.29 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -96.22 -40.2 9.29 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 119.862 -1.774 . . . . 0.0 109.322 152.28 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -68.91 -44.48 73.07 Favored 'General case' 0 C--N 1.348 0.523 0 O-C-N 120.752 -1.218 . . . . 0.0 113.846 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 45.5 tp -61.72 -32.09 72.29 Favored 'General case' 0 C--N 1.347 0.499 0 O-C-N 120.674 -1.266 . . . . 0.0 112.942 174.189 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.08 3.11 53.59 Favored 'General case' 0 N--CA 1.442 -0.833 0 O-C-N 120.709 -1.244 . . . . 0.0 112.519 -178.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 t -63.13 -37.66 88.09 Favored 'General case' 0 C--N 1.351 0.669 0 N-CA-C 114.955 1.465 . . . . 0.0 114.955 -164.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.2 m -93.51 3.21 55.91 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-O 121.898 0.856 . . . . 0.0 110.838 -175.126 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -124.26 -37.48 2.54 Favored 'General case' 0 C--N 1.348 0.532 0 O-C-N 120.759 -1.213 . . . . 0.0 111.198 -170.418 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -109.69 -0.31 18.62 Favored 'General case' 0 C--N 1.348 0.508 0 O-C-N 121.333 -0.854 . . . . 0.0 109.759 177.281 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 60.7 m-70 . . . . . 0 C--N 1.349 0.549 0 N-CA-C 115.966 1.839 . . . . 0.0 115.966 171.429 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.069 0 N-CA-C 110.433 -1.067 . . . . 0.0 110.433 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -59.79 -27.83 39.09 Favored 'Isoleucine or valine' 0 C--N 1.344 0.364 0 C-N-CA 126.262 1.825 . . . . 0.0 113.854 -175.69 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.99 -30.59 63.72 Favored Glycine 0 C--N 1.353 1.498 0 C-N-CA 124.941 1.258 . . . . 0.0 114.294 173.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.45 -4.51 87.27 Favored Glycine 0 C--N 1.351 1.383 0 CA-C-N 118.052 0.926 . . . . 0.0 113.512 177.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -99.55 -56.43 2.4 Favored 'General case' 0 N--CA 1.446 -0.649 0 O-C-N 121.157 -1.202 . . . . 0.0 109.8 167.529 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 36.0 pt -68.86 -41.55 82.17 Favored 'Isoleucine or valine' 0 C--N 1.352 0.694 0 N-CA-C 115.54 1.681 . . . . 0.0 115.54 -175.163 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 90.7 mt -78.25 -19.19 54.23 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 119.397 -2.064 . . . . 0.0 111.695 -177.477 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.0 m -72.44 -14.5 61.7 Favored 'General case' 0 CA--C 1.512 -0.496 0 C-N-CA 125.123 1.369 . . . . 0.0 112.537 176.43 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.5 -47.48 1.66 Allowed Glycine 0 C--N 1.351 1.385 0 O-C-N 121.337 -0.852 . . . . 0.0 111.921 161.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -66.78 -48.7 68.2 Favored 'General case' 0 C--N 1.351 0.645 0 N-CA-C 115.342 1.608 . . . . 0.0 115.342 -172.228 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.7 mmtm -72.93 -37.74 67.08 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 119.661 -1.899 . . . . 0.0 111.469 177.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.3 m -59.82 -43.51 94.51 Favored 'General case' 0 CA--C 1.512 -0.504 0 C-N-CA 124.911 1.284 . . . . 0.0 112.737 176.352 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.34 -48.45 72.97 Favored 'General case' 0 N--CA 1.449 -0.521 0 O-C-N 120.061 -1.649 . . . . 0.0 113.304 170.086 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.9 tp -63.53 -40.39 96.91 Favored 'General case' 0 C--N 1.35 0.598 0 N-CA-C 115.681 1.734 . . . . 0.0 115.681 -175.373 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -149.8 20.56 0.9 Allowed 'General case' 0 N--CA 1.449 -0.501 0 O-C-N 119.827 -1.795 . . . . 0.0 112.357 -172.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -103.25 -78.18 1.26 Allowed Glycine 0 C--N 1.347 1.181 0 N-CA-C 107.529 -2.228 . . . . 0.0 107.529 160.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.24 -42.47 91.18 Favored 'General case' 0 C--N 1.345 0.406 0 O-C-N 120.665 -1.491 . . . . 0.0 113.051 178.298 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.78 17.1 6.95 Favored 'General case' 0 N--CA 1.446 -0.659 0 O-C-N 120.74 -1.225 . . . . 0.0 112.482 173.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.8 tttm -90.65 -54.6 3.91 Favored 'General case' 0 C--N 1.354 0.761 0 O-C-N 119.872 -1.768 . . . . 0.0 107.642 150.432 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -60.47 -42.46 96.27 Favored 'General case' 0 C--N 1.351 0.645 0 N-CA-C 114.511 1.3 . . . . 0.0 114.511 -173.02 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.51 -17.39 62.34 Favored 'General case' 0 C--N 1.348 0.535 0 O-C-N 120.79 -1.193 . . . . 0.0 112.179 177.159 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -100.17 -9.23 22.72 Favored 'General case' 0 N--CA 1.445 -0.72 0 O-C-N 119.983 -1.698 . . . . 0.0 112.156 177.216 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.6 m -74.89 -15.3 60.71 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 120.198 -1.564 . . . . 0.0 112.815 -173.264 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.5 m -61.65 -36.52 81.04 Favored 'General case' 0 C--N 1.342 0.253 0 O-C-N 121.023 -1.048 . . . . 0.0 112.673 166.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -112.26 -33.92 6.07 Favored 'General case' 0 C--N 1.349 0.573 0 O-C-N 121.145 -0.972 . . . . 0.0 112.298 -168.153 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.1 mp -108.19 2.12 22.62 Favored 'General case' 0 C--N 1.348 0.505 0 C-N-CA 124.64 1.176 . . . . 0.0 110.333 -177.328 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 . . . . . 0 C--O 1.24 0.598 0 N-CA-C 115.572 1.693 . . . . 0.0 115.572 172.883 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.062 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -58.99 -29.12 40.44 Favored 'Isoleucine or valine' 0 C--N 1.345 0.399 0 C-N-CA 126.396 1.878 . . . . 0.0 113.98 -175.252 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.24 -31.68 66.29 Favored Glycine 0 C--N 1.353 1.503 0 C-N-CA 124.495 1.045 . . . . 0.0 114.389 173.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.23 -5.29 89.14 Favored Glycine 0 C--N 1.351 1.39 0 O-C-N 121.469 -1.018 . . . . 0.0 113.265 176.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.8 tmtm? -95.95 -54.53 3.29 Favored 'General case' 0 N--CA 1.445 -0.697 0 O-C-N 121.019 -1.283 . . . . 0.0 109.369 169.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 34.9 pt -73.24 -42.27 58.0 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 N-CA-C 115.515 1.672 . . . . 0.0 115.515 -175.442 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.0 mt -76.86 -20.2 56.59 Favored 'General case' 0 C--N 1.354 0.78 0 O-C-N 119.255 -2.153 . . . . 0.0 111.729 -175.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 42.8 m -71.34 -13.79 61.98 Favored 'General case' 0 CA--C 1.513 -0.472 0 C-N-CA 125.543 1.537 . . . . 0.0 112.65 175.302 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.36 -47.59 1.53 Allowed Glycine 0 C--N 1.352 1.439 0 O-C-N 121.276 -0.89 . . . . 0.0 111.898 161.406 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -66.93 -48.83 67.42 Favored 'General case' 0 C--N 1.35 0.597 0 N-CA-C 115.425 1.639 . . . . 0.0 115.425 -172.014 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.6 mmtm -72.99 -37.79 66.87 Favored 'General case' 0 C--N 1.351 0.639 0 O-C-N 119.666 -1.896 . . . . 0.0 111.302 177.183 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.1 m -59.63 -43.75 93.71 Favored 'General case' 0 CA--C 1.511 -0.543 0 C-N-CA 124.861 1.264 . . . . 0.0 112.752 176.336 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.81 -47.87 76.48 Favored 'General case' 0 N--CA 1.45 -0.466 0 O-C-N 120.092 -1.63 . . . . 0.0 113.228 170.674 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.0 tp -63.22 -41.46 99.13 Favored 'General case' 0 C--N 1.349 0.557 0 N-CA-C 115.567 1.692 . . . . 0.0 115.567 -175.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -150.31 21.41 0.84 Allowed 'General case' 0 N--CA 1.45 -0.452 0 O-C-N 119.796 -1.815 . . . . 0.0 112.784 -172.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -104.14 -77.14 1.15 Allowed Glycine 0 C--N 1.347 1.176 0 N-CA-C 107.623 -2.191 . . . . 0.0 107.623 160.098 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.96 -41.64 87.96 Favored 'General case' 0 N--CA 1.45 -0.448 0 O-C-N 120.713 -1.463 . . . . 0.0 113.009 178.354 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.8 17.72 6.34 Favored 'General case' 0 N--CA 1.447 -0.617 0 O-C-N 120.7 -1.25 . . . . 0.0 112.757 173.591 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.35 -52.15 4.94 Favored 'General case' 0 C--N 1.353 0.721 0 O-C-N 119.93 -1.731 . . . . 0.0 107.485 150.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -62.43 -44.99 95.1 Favored 'General case' 0 C--N 1.35 0.617 0 N-CA-C 114.926 1.454 . . . . 0.0 114.926 -175.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.1 tt -61.48 -35.31 77.3 Favored 'General case' 0 C--N 1.348 0.533 0 O-C-N 120.891 -1.131 . . . . 0.0 113.088 176.146 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -98.46 3.64 48.31 Favored 'General case' 0 N--CA 1.442 -0.825 0 O-C-N 120.836 -1.165 . . . . 0.0 112.324 -176.43 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.3 t -62.73 -36.41 82.94 Favored 'General case' 0 C--N 1.351 0.647 0 N-CA-C 114.992 1.479 . . . . 0.0 114.992 -161.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.0 m -61.94 -40.46 95.61 Favored 'General case' 0 C--N 1.343 0.312 0 C-N-CA 125.251 1.42 . . . . 0.0 113.123 174.181 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -97.88 -13.45 21.24 Favored 'General case' 0 C--N 1.345 0.404 0 O-C-N 121.09 -1.006 . . . . 0.0 111.669 -166.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -115.74 31.57 6.63 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 125.906 1.683 . . . . 0.0 107.425 177.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 . . . . . 0 C--N 1.347 0.487 0 CA-C-O 122.212 1.006 . . . . 0.0 112.428 179.963 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.062 0 N-CA-C 110.325 -1.11 . . . . 0.0 110.325 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -64.34 -21.68 29.56 Favored 'Isoleucine or valine' 0 C--N 1.345 0.381 0 C-N-CA 125.539 1.536 . . . . 0.0 113.619 -174.669 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.31 -30.81 65.03 Favored Glycine 0 C--N 1.353 1.473 0 C-N-CA 124.98 1.276 . . . . 0.0 113.89 172.317 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.98 -4.21 85.59 Favored Glycine 0 C--N 1.35 1.346 0 O-C-N 121.65 -0.912 . . . . 0.0 113.499 177.429 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -100.63 -56.67 2.28 Favored 'General case' 0 N--CA 1.446 -0.636 0 O-C-N 121.146 -1.208 . . . . 0.0 109.871 167.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 33.4 pt -68.55 -40.94 82.66 Favored 'Isoleucine or valine' 0 C--N 1.352 0.704 0 N-CA-C 115.585 1.698 . . . . 0.0 115.585 -174.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 78.9 mt -79.02 -21.02 47.56 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 119.584 -1.948 . . . . 0.0 111.558 -178.076 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 43.0 m -72.0 -14.29 61.85 Favored 'General case' 0 CA--C 1.513 -0.45 0 C-N-CA 125.354 1.462 . . . . 0.0 112.28 175.478 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -93.6 -68.83 1.09 Allowed Glycine 0 C--N 1.347 1.183 0 N-CA-C 110.208 -1.157 . . . . 0.0 110.208 160.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -60.97 -45.02 96.44 Favored 'General case' 0 C--N 1.347 0.457 0 N-CA-C 115.79 1.774 . . . . 0.0 115.79 -167.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.6 mmtm -89.27 -18.39 27.1 Favored 'General case' 0 C--N 1.347 0.479 0 O-C-N 119.428 -2.045 . . . . 0.0 111.877 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 91.6 m -64.08 -45.13 90.05 Favored 'General case' 0 CA--C 1.512 -0.518 0 O-C-N 120.67 -1.269 . . . . 0.0 111.15 165.282 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.3 -48.64 72.44 Favored 'General case' 0 C--N 1.349 0.546 0 O-C-N 120.954 -1.091 . . . . 0.0 113.801 172.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 26.1 tp -77.01 -17.46 58.82 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 120.819 -1.175 . . . . 0.0 114.019 -173.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -118.03 -70.6 0.78 Allowed 'General case' 0 CA--C 1.507 -0.701 0 O-C-N 119.922 -1.736 . . . . 0.0 112.211 176.688 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -54.13 -61.09 7.52 Favored Glycine 0 C--N 1.35 1.342 0 CA-C-N 119.572 1.078 . . . . 0.0 115.72 -178.248 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.47 -40.91 98.2 Favored 'General case' 0 C--N 1.347 0.458 0 O-C-N 121.182 -1.187 . . . . 0.0 112.687 -179.404 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.65 -46.87 63.89 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 125.38 1.472 . . . . 0.0 114.287 167.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -46.76 86.62 Favored 'General case' 0 C--N 1.354 0.782 0 O-C-N 120.03 -1.669 . . . . 0.0 112.394 174.169 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -65.71 -35.75 81.63 Favored 'General case' 0 C--N 1.344 0.355 0 O-C-N 120.528 -1.357 . . . . 0.0 113.789 -177.295 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.21 -5.65 59.15 Favored 'General case' 0 N--CA 1.45 -0.444 0 O-C-N 120.929 -1.107 . . . . 0.0 112.807 179.206 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -136.73 9.29 3.09 Favored 'General case' 0 C--N 1.353 0.749 0 O-C-N 119.822 -1.799 . . . . 0.0 115.228 -176.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 p -70.09 -24.84 63.29 Favored 'General case' 0 C--N 1.351 0.659 0 O-C-N 119.535 -1.978 . . . . 0.0 112.047 168.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.0 m -59.44 -32.81 70.56 Favored 'General case' 0 CA--C 1.517 -0.302 0 C-N-CA 126.008 1.723 . . . . 0.0 112.908 171.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -112.36 -39.01 4.52 Favored 'General case' 0 C--N 1.349 0.545 0 O-C-N 121.468 -0.77 . . . . 0.0 112.052 -169.111 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -103.19 -1.8 28.35 Favored 'General case' 0 C--N 1.349 0.582 0 O-C-N 120.601 -1.312 . . . . 0.0 111.822 -176.311 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 30.4 m170 . . . . . 0 CA--C 1.51 -0.583 0 O-C-N 120.43 -1.419 . . . . 0.0 110.327 176.815 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.05 0 N-CA-C 110.315 -1.114 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.5 tt -59.17 -37.38 68.17 Favored 'Isoleucine or valine' 0 C--N 1.346 0.44 0 C-N-CA 125.332 1.453 . . . . 0.0 113.456 -176.052 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.61 -29.99 61.75 Favored Glycine 0 C--N 1.355 1.625 0 C-N-CA 125.227 1.394 . . . . 0.0 114.032 175.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.34 -1.27 74.81 Favored Glycine 0 C--N 1.348 1.228 0 C-N-CA 125.009 1.29 . . . . 0.0 114.153 -178.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.36 -29.62 2.69 Favored 'General case' 0 C--N 1.346 0.447 0 O-C-N 121.193 -1.181 . . . . 0.0 112.516 168.202 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 29.4 pt -72.35 -42.84 65.24 Favored 'Isoleucine or valine' 0 C--N 1.356 0.873 0 O-C-N 119.505 -1.997 . . . . 0.0 113.785 173.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 84.9 mt -77.52 -22.98 50.32 Favored 'General case' 0 C--N 1.354 0.795 0 O-C-N 119.658 -1.902 . . . . 0.0 111.492 -178.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.0 m -71.4 -14.53 62.2 Favored 'General case' 0 CA--C 1.51 -0.56 0 C-N-CA 125.807 1.643 . . . . 0.0 113.168 178.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.71 -49.3 1.29 Allowed Glycine 0 C--N 1.35 1.349 0 O-C-N 121.354 -0.841 . . . . 0.0 111.587 160.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -66.0 -45.26 82.21 Favored 'General case' 0 C--N 1.349 0.563 0 N-CA-C 115.435 1.643 . . . . 0.0 115.435 -170.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.8 mmtm -91.58 -20.1 22.03 Favored 'General case' 0 C--N 1.347 0.461 0 O-C-N 119.491 -2.005 . . . . 0.0 111.294 -179.285 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 51.9 m -63.81 -45.3 90.25 Favored 'General case' 0 CA--C 1.51 -0.568 0 O-C-N 121.257 -0.902 . . . . 0.0 111.604 167.136 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.29 -47.07 77.92 Favored 'General case' 0 C--N 1.349 0.581 0 O-C-N 120.878 -1.139 . . . . 0.0 113.592 172.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 24.6 tp -71.92 -26.17 62.2 Favored 'General case' 0 C--N 1.35 0.596 0 N-CA-C 114.746 1.388 . . . . 0.0 114.746 -174.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.21 -70.52 0.79 Allowed 'General case' 0 CA--C 1.51 -0.596 0 O-C-N 120.331 -1.481 . . . . 0.0 111.925 177.394 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -50.77 -58.97 8.47 Favored Glycine 0 C--N 1.351 1.387 0 N-CA-C 116.492 1.357 . . . . 0.0 116.492 -175.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.17 -40.47 97.62 Favored 'General case' 0 C--N 1.345 0.396 0 O-C-N 121.028 -1.278 . . . . 0.0 112.797 178.639 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.57 -39.45 88.05 Favored 'General case' 0 N--CA 1.446 -0.673 0 N-CA-C 113.949 1.092 . . . . 0.0 113.949 173.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.37 -44.29 95.2 Favored 'General case' 0 C--N 1.354 0.776 0 O-C-N 120.318 -1.489 . . . . 0.0 111.967 173.72 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -69.43 -43.24 73.76 Favored 'General case' 0 C--N 1.345 0.38 0 O-C-N 120.758 -1.214 . . . . 0.0 113.004 179.16 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.2 tt -62.24 -43.02 99.77 Favored 'General case' 0 C--N 1.348 0.532 0 O-C-N 120.941 -1.099 . . . . 0.0 113.517 175.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.51 13.85 28.51 Favored 'General case' 0 N--CA 1.445 -0.69 0 O-C-N 120.405 -1.434 . . . . 0.0 112.559 -176.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.7 t -60.13 -39.57 86.72 Favored 'General case' 0 C--N 1.352 0.685 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 -167.623 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.4 m -75.06 -18.34 60.32 Favored 'General case' 0 C--N 1.341 0.226 0 C-N-CA 124.061 0.944 . . . . 0.0 112.544 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -112.51 -39.15 4.44 Favored 'General case' 0 C--N 1.346 0.415 0 O-C-N 120.967 -1.083 . . . . 0.0 112.431 -164.299 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -110.0 15.43 22.55 Favored 'General case' 0 C--N 1.346 0.44 0 O-C-N 120.896 -1.128 . . . . 0.0 110.934 -172.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 84.6 t60 . . . . . 0 C--N 1.346 0.454 0 O-C-N 120.219 -1.551 . . . . 0.0 111.198 175.288 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.498 -1.009 0 N-CA-C 110.345 -1.102 . . . . 0.0 110.345 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.4 tt -57.94 -38.57 67.27 Favored 'Isoleucine or valine' 0 C--N 1.346 0.436 0 C-N-CA 125.744 1.618 . . . . 0.0 113.298 -174.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -46.48 -44.25 15.93 Favored Glycine 0 C--N 1.354 1.573 0 C-N-CA 126.203 1.859 . . . . 0.0 114.74 172.407 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.6 -4.65 85.21 Favored Glycine 0 C--N 1.347 1.186 0 O-C-N 121.747 -0.854 . . . . 0.0 114.56 -176.537 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.78 -5.69 10.15 Favored 'General case' 0 N--CA 1.45 -0.457 0 O-C-N 120.828 -1.395 . . . . 0.0 113.239 170.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 32.4 pt -90.11 -52.22 10.9 Favored 'Isoleucine or valine' 0 C--N 1.354 0.763 0 O-C-N 120.397 -1.439 . . . . 0.0 113.006 162.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 96.6 mt -66.66 -32.71 74.2 Favored 'General case' 0 C--N 1.355 0.81 0 O-C-N 120.2 -1.563 . . . . 0.0 113.009 -170.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.8 m -63.54 -15.58 58.37 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 126.56 1.944 . . . . 0.0 114.375 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.61 -49.21 0.98 Allowed Glycine 0 C--N 1.352 1.465 0 O-C-N 121.333 -0.854 . . . . 0.0 111.763 158.211 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -63.09 -32.87 74.34 Favored 'General case' 0 C--N 1.348 0.517 0 C-N-CA 126.142 1.777 . . . . 0.0 115.591 -167.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.7 mmtm -114.86 -14.89 11.9 Favored 'General case' 0 C--N 1.346 0.418 0 O-C-N 119.27 -2.144 . . . . 0.0 113.181 173.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 60.6 m -61.88 -42.14 98.7 Favored 'General case' 0 CA--C 1.51 -0.57 0 O-C-N 120.576 -1.328 . . . . 0.0 111.634 167.256 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.05 -19.39 65.67 Favored 'General case' 0 C--N 1.35 0.602 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 178.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.8 tp -112.29 -8.15 13.96 Favored 'General case' 0 C--N 1.35 0.608 0 O-C-N 120.74 -1.225 . . . . 0.0 111.737 -173.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.1 tptm -118.41 -70.83 0.77 Allowed 'General case' 0 C--N 1.348 0.51 0 O-C-N 120.109 -1.62 . . . . 0.0 110.879 172.384 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.76 -61.52 7.36 Favored Glycine 0 C--N 1.355 1.609 0 C-N-CA 123.77 0.7 . . . . 0.0 114.312 -178.175 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.35 -36.62 84.31 Favored 'General case' 0 C--N 1.347 0.489 0 CA-C-O 122.336 1.065 . . . . 0.0 112.623 -178.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.56 -44.71 96.53 Favored 'General case' 0 N--CA 1.446 -0.66 0 O-C-N 120.435 -1.416 . . . . 0.0 114.073 176.224 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.71 -17.45 41.29 Favored 'General case' 0 C--N 1.353 0.721 0 O-C-N 120.191 -1.568 . . . . 0.0 112.396 176.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -70.39 -50.47 38.37 Favored 'General case' 0 N--CA 1.452 -0.341 0 O-C-N 120.329 -1.482 . . . . 0.0 112.191 169.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.1 tt -68.39 -45.74 71.87 Favored 'General case' 0 C--N 1.349 0.553 0 O-C-N 120.792 -1.192 . . . . 0.0 113.255 176.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.65 28.26 3.49 Favored 'General case' 0 N--CA 1.448 -0.571 0 O-C-N 119.988 -1.695 . . . . 0.0 111.49 -175.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.3 t -58.03 -45.9 86.21 Favored 'General case' 0 C--N 1.35 0.605 0 N-CA-C 115.779 1.77 . . . . 0.0 115.779 -165.45 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.6 m -65.21 -43.49 91.36 Favored 'General case' 0 CA--C 1.514 -0.436 0 C-N-CA 125.234 1.414 . . . . 0.0 112.888 176.373 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -69.54 -40.68 76.72 Favored 'General case' 0 C--N 1.344 0.363 0 C-N-CA 124.529 1.131 . . . . 0.0 113.452 -176.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.4 mp -98.11 8.47 44.74 Favored 'General case' 0 C--N 1.345 0.408 0 O-C-N 121.331 -0.855 . . . . 0.0 111.406 -175.398 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 . . . . . 0 C--N 1.35 0.623 0 N-CA-C 116.597 2.073 . . . . 0.0 116.597 172.542 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.498 -1.018 0 N-CA-C 110.375 -1.09 . . . . 0.0 110.375 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.1 tt -58.56 -36.26 58.75 Favored 'Isoleucine or valine' 0 C--N 1.346 0.42 0 C-N-CA 125.784 1.634 . . . . 0.0 113.642 -174.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -59.42 -31.47 70.29 Favored Glycine 0 C--N 1.353 1.511 0 O-C-N 120.718 -1.239 . . . . 0.0 114.3 175.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.63 -4.58 89.35 Favored Glycine 0 C--N 1.35 1.312 0 O-C-N 121.697 -0.884 . . . . 0.0 113.35 177.141 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -98.05 -55.7 2.7 Favored 'General case' 0 N--CA 1.445 -0.696 0 O-C-N 121.102 -1.234 . . . . 0.0 109.725 168.299 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 28.6 pt -70.75 -42.18 77.59 Favored 'Isoleucine or valine' 0 C--N 1.351 0.66 0 N-CA-C 115.384 1.624 . . . . 0.0 115.384 -174.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 87.9 mt -77.4 -20.63 54.37 Favored 'General case' 0 C--N 1.354 0.785 0 O-C-N 119.345 -2.097 . . . . 0.0 111.659 -176.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.4 m -71.91 -14.3 61.89 Favored 'General case' 0 CA--C 1.512 -0.503 0 C-N-CA 125.421 1.488 . . . . 0.0 112.671 176.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.97 -47.87 1.54 Allowed Glycine 0 C--N 1.35 1.361 0 O-C-N 121.324 -0.86 . . . . 0.0 111.908 161.564 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -66.86 -48.7 68.01 Favored 'General case' 0 C--N 1.35 0.599 0 N-CA-C 115.388 1.625 . . . . 0.0 115.388 -171.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm -74.68 -36.79 62.78 Favored 'General case' 0 C--N 1.35 0.592 0 O-C-N 119.673 -1.892 . . . . 0.0 111.396 177.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.8 m -59.85 -43.55 94.59 Favored 'General case' 0 CA--C 1.511 -0.555 0 C-N-CA 124.701 1.201 . . . . 0.0 112.709 175.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.79 -48.28 75.03 Favored 'General case' 0 C--N 1.347 0.487 0 O-C-N 120.08 -1.638 . . . . 0.0 113.191 170.391 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 46.2 tp -62.91 -41.81 99.57 Favored 'General case' 0 C--N 1.349 0.571 0 N-CA-C 115.517 1.673 . . . . 0.0 115.517 -175.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -146.3 17.69 1.36 Allowed 'General case' 0 N--CA 1.45 -0.467 0 O-C-N 120.008 -1.682 . . . . 0.0 113.862 -174.097 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -100.81 -78.82 1.38 Allowed Glycine 0 C--N 1.346 1.1 0 N-CA-C 107.344 -2.302 . . . . 0.0 107.344 159.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.76 -41.84 87.48 Favored 'General case' 0 N--CA 1.451 -0.421 0 O-C-N 120.989 -1.301 . . . . 0.0 113.595 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.15 12.96 16.34 Favored 'General case' 0 N--CA 1.447 -0.582 0 O-C-N 120.456 -1.403 . . . . 0.0 112.505 174.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.66 -50.4 6.28 Favored 'General case' 0 C--N 1.353 0.757 0 O-C-N 119.546 -1.971 . . . . 0.0 107.849 150.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -59.83 -44.77 93.89 Favored 'General case' 0 C--N 1.355 0.826 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 -176.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 43.6 tp -60.89 -32.7 72.14 Favored 'General case' 0 C--N 1.347 0.485 0 O-C-N 120.853 -1.155 . . . . 0.0 113.603 175.342 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -98.46 2.08 47.36 Favored 'General case' 0 N--CA 1.445 -0.723 0 O-C-N 120.667 -1.271 . . . . 0.0 112.125 -177.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 t -65.02 -33.91 77.16 Favored 'General case' 0 CA--C 1.509 -0.633 0 N-CA-C 114.835 1.42 . . . . 0.0 114.835 -162.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.3 m -94.54 2.47 55.68 Favored 'General case' 0 C--N 1.342 0.271 0 CA-C-O 121.873 0.844 . . . . 0.0 110.771 -176.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -124.3 -37.64 2.52 Favored 'General case' 0 C--N 1.348 0.514 0 O-C-N 120.723 -1.235 . . . . 0.0 111.201 -170.355 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -109.14 0.32 19.74 Favored 'General case' 0 C--N 1.347 0.48 0 C-N-CA 123.918 0.887 . . . . 0.0 109.583 177.118 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 62.3 m-70 . . . . . 0 C--N 1.349 0.553 0 N-CA-C 116.094 1.887 . . . . 0.0 116.094 171.514 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.498 -1.002 0 N-CA-C 110.356 -1.097 . . . . 0.0 110.356 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.1 tt -58.58 -36.48 59.87 Favored 'Isoleucine or valine' 0 C--N 1.346 0.418 0 C-N-CA 125.788 1.635 . . . . 0.0 113.728 -174.468 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -59.39 -31.72 70.82 Favored Glycine 0 C--N 1.353 1.514 0 O-C-N 120.737 -1.227 . . . . 0.0 114.386 175.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.75 -4.84 89.53 Favored Glycine 0 C--N 1.35 1.308 0 O-C-N 121.69 -0.888 . . . . 0.0 113.341 177.206 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -97.43 -54.91 2.99 Favored 'General case' 0 N--CA 1.445 -0.718 0 O-C-N 121.102 -1.234 . . . . 0.0 109.835 168.181 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 28.4 pt -71.49 -42.84 72.7 Favored 'Isoleucine or valine' 0 C--N 1.352 0.684 0 N-CA-C 115.434 1.642 . . . . 0.0 115.434 -174.68 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 87.4 mt -76.31 -20.52 57.21 Favored 'General case' 0 C--N 1.354 0.778 0 O-C-N 119.406 -2.058 . . . . 0.0 111.61 -176.039 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.0 m -70.89 -13.53 62.06 Favored 'General case' 0 CA--C 1.513 -0.473 0 C-N-CA 126.133 1.773 . . . . 0.0 112.928 176.535 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.55 -48.78 1.16 Allowed Glycine 0 C--N 1.351 1.391 0 O-C-N 121.328 -0.858 . . . . 0.0 111.92 158.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -64.33 -40.82 96.66 Favored 'General case' 0 C--N 1.349 0.557 0 N-CA-C 115.568 1.692 . . . . 0.0 115.568 -169.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.9 mmtm -101.34 -18.73 15.93 Favored 'General case' 0 C--N 1.346 0.429 0 O-C-N 119.53 -1.981 . . . . 0.0 111.789 178.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 49.9 m -63.08 -38.18 90.17 Favored 'General case' 0 CA--C 1.511 -0.527 0 C-N-CA 124.202 1.001 . . . . 0.0 112.054 166.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.11 -44.52 94.79 Favored 'General case' 0 N--CA 1.448 -0.555 0 O-C-N 119.934 -1.729 . . . . 0.0 113.323 171.42 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.2 tp -76.28 -50.01 15.5 Favored 'General case' 0 C--N 1.348 0.524 0 N-CA-C 115.456 1.65 . . . . 0.0 115.456 -179.031 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.06 3.62 22.24 Favored 'General case' 0 C--N 1.35 0.618 0 O-C-N 120.17 -1.581 . . . . 0.0 111.149 -170.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -104.59 -83.96 1.73 Allowed Glycine 0 CA--C 1.496 -1.135 0 N-CA-C 107.948 -2.061 . . . . 0.0 107.948 162.438 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.43 -51.79 66.14 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 116.12 1.896 . . . . 0.0 116.12 -170.114 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.39 -49.21 64.85 Favored 'General case' 0 C--N 1.35 0.597 0 N-CA-C 115.441 1.645 . . . . 0.0 115.441 -172.618 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.16 -41.03 82.14 Favored 'General case' 0 C--N 1.351 0.652 0 O-C-N 120.54 -1.35 . . . . 0.0 113.01 179.444 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -74.36 -36.98 63.61 Favored 'General case' 0 C--N 1.347 0.476 0 O-C-N 120.252 -1.53 . . . . 0.0 113.345 -178.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 47.8 tp -62.76 -39.57 94.57 Favored 'General case' 0 C--N 1.353 0.748 0 O-C-N 120.215 -1.553 . . . . 0.0 112.977 170.53 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.96 18.33 6.79 Favored 'General case' 0 N--CA 1.445 -0.71 0 O-C-N 120.385 -1.447 . . . . 0.0 112.607 179.264 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.9 t -70.88 -17.38 62.72 Favored 'General case' 0 C--N 1.352 0.687 0 O-C-N 119.988 -1.695 . . . . 0.0 114.479 -169.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.9 m -72.66 -20.08 61.32 Favored 'General case' 0 C--N 1.342 0.28 0 O-C-N 121.168 -0.958 . . . . 0.0 111.807 173.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -116.81 -36.19 3.94 Favored 'General case' 0 C--N 1.349 0.562 0 O-C-N 120.993 -1.067 . . . . 0.0 110.969 -170.443 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -106.48 3.36 27.12 Favored 'General case' 0 C--N 1.348 0.533 0 C-N-CA 124.024 0.929 . . . . 0.0 110.842 -177.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 . . . . . 0 C--N 1.348 0.539 0 N-CA-C 116.645 2.091 . . . . 0.0 116.645 170.582 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.498 -1.015 0 N-CA-C 110.379 -1.089 . . . . 0.0 110.379 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.5 tt -59.03 -37.53 68.37 Favored 'Isoleucine or valine' 0 C--N 1.346 0.414 0 C-N-CA 125.504 1.521 . . . . 0.0 113.492 -175.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.55 -30.13 61.75 Favored Glycine 0 C--N 1.353 1.526 0 C-N-CA 125.252 1.406 . . . . 0.0 114.099 176.282 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.41 -1.21 75.06 Favored Glycine 0 C--N 1.349 1.293 0 C-N-CA 124.799 1.19 . . . . 0.0 114.117 -178.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.01 -28.51 2.64 Favored 'General case' 0 N--CA 1.449 -0.491 0 O-C-N 121.009 -1.289 . . . . 0.0 112.64 168.596 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 30.2 pt -72.83 -43.24 60.64 Favored 'Isoleucine or valine' 0 C--N 1.356 0.871 0 O-C-N 119.534 -1.979 . . . . 0.0 113.799 172.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 86.6 mt -75.95 -21.19 57.27 Favored 'General case' 0 C--N 1.355 0.835 0 O-C-N 119.55 -1.969 . . . . 0.0 111.466 -178.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.8 m -69.69 -14.09 62.63 Favored 'General case' 0 CA--C 1.514 -0.438 0 C-N-CA 126.487 1.915 . . . . 0.0 113.206 177.596 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.43 -48.87 1.08 Allowed Glycine 0 C--N 1.352 1.417 0 O-C-N 121.324 -0.86 . . . . 0.0 112.016 157.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -64.12 -34.28 77.68 Favored 'General case' 0 C--N 1.348 0.538 0 N-CA-C 115.554 1.687 . . . . 0.0 115.554 -168.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.2 mmtm -109.15 -18.52 13.61 Favored 'General case' 0 C--N 1.345 0.405 0 O-C-N 118.95 -2.343 . . . . 0.0 112.802 174.564 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 45.8 m -61.98 -39.14 91.16 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-N 119.515 1.052 . . . . 0.0 112.087 167.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.43 -37.28 70.02 Favored 'General case' 0 C--N 1.348 0.503 0 O-C-N 120.062 -1.649 . . . . 0.0 113.339 173.271 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 50.1 tp -77.76 -48.2 17.19 Favored 'General case' 0 C--N 1.347 0.466 0 N-CA-C 114.651 1.352 . . . . 0.0 114.651 174.216 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -117.39 4.63 12.52 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 120.906 -1.121 . . . . 0.0 113.891 -164.258 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -115.4 -19.65 5.75 Favored Glycine 0 C--N 1.34 0.757 0 O-C-N 119.732 -1.855 . . . . 0.0 111.66 164.143 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -117.83 -75.55 0.58 Allowed 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 123.623 0.769 . . . . 0.0 111.715 -177.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.72 -45.85 90.9 Favored 'General case' 0 C--N 1.352 0.675 0 N-CA-C 117.004 2.224 . . . . 0.0 117.004 -166.142 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.77 -37.33 86.05 Favored 'General case' 0 C--N 1.352 0.703 0 O-C-N 120.073 -1.642 . . . . 0.0 112.797 175.336 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -69.53 -41.89 75.36 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 125.498 1.519 . . . . 0.0 112.507 178.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 50.9 tp -61.24 -40.18 93.06 Favored 'General case' 0 C--N 1.346 0.415 0 C-N-CA 125.295 1.438 . . . . 0.0 113.01 171.138 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.0 4.16 52.8 Favored 'General case' 0 N--CA 1.446 -0.645 0 O-C-N 120.519 -1.363 . . . . 0.0 112.768 -179.157 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 t -61.86 -37.35 84.18 Favored 'General case' 0 C--N 1.352 0.706 0 C-N-CA 124.713 1.205 . . . . 0.0 113.683 -170.404 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.8 m -59.83 -37.49 79.35 Favored 'General case' 0 CA--C 1.516 -0.352 0 C-N-CA 125.541 1.537 . . . . 0.0 113.002 175.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -102.84 -27.16 12.83 Favored 'General case' 0 C--N 1.346 0.44 0 O-C-N 121.374 -0.829 . . . . 0.0 112.594 -167.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.0 mp -109.68 -11.13 14.78 Favored 'General case' 0 C--N 1.347 0.496 0 O-C-N 121.061 -1.025 . . . . 0.0 111.545 -177.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 35.3 m80 . . . . . 0 CA--C 1.511 -0.55 0 O-C-N 120.521 -1.362 . . . . 0.0 111.109 -171.636 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.087 0 N-CA-C 110.411 -1.076 . . . . 0.0 110.411 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.0 tt -57.99 -38.53 67.38 Favored 'Isoleucine or valine' 0 C--N 1.345 0.383 0 C-N-CA 125.895 1.678 . . . . 0.0 113.72 -173.348 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -59.76 -30.79 69.93 Favored Glycine 0 C--N 1.353 1.506 0 O-C-N 120.6 -1.313 . . . . 0.0 114.206 176.439 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.3 -5.42 85.46 Favored Glycine 0 C--N 1.348 1.249 0 O-C-N 121.28 -1.13 . . . . 0.0 113.798 -177.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.63 15.1 13.64 Favored 'General case' 0 N--CA 1.449 -0.512 0 O-C-N 121.093 -1.24 . . . . 0.0 112.168 172.25 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 22.3 pt -128.62 -41.56 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.83 0 O-C-N 121.185 -0.947 . . . . 0.0 112.456 166.573 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 94.7 mt -66.58 -33.49 75.78 Favored 'General case' 0 C--N 1.354 0.78 0 O-C-N 119.588 -1.945 . . . . 0.0 111.92 -179.417 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.3 m -63.32 -11.83 25.1 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 127.648 2.379 . . . . 0.0 114.59 175.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.69 -49.2 0.97 Allowed Glycine 0 C--N 1.352 1.422 0 O-C-N 121.179 -0.951 . . . . 0.0 111.616 159.611 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -62.62 -39.25 93.22 Favored 'General case' 0 C--N 1.348 0.531 0 N-CA-C 115.624 1.713 . . . . 0.0 115.624 -169.559 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.2 mmtm -105.71 -15.84 14.85 Favored 'General case' 0 C--N 1.347 0.473 0 O-C-N 119.617 -1.927 . . . . 0.0 112.32 176.297 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 57.5 m -63.23 -39.64 95.18 Favored 'General case' 0 CA--C 1.511 -0.554 0 O-C-N 121.105 -0.997 . . . . 0.0 111.676 166.483 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.85 -41.1 77.31 Favored 'General case' 0 C--N 1.348 0.509 0 O-C-N 120.236 -1.54 . . . . 0.0 113.161 173.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 48.9 tp -73.52 -49.85 24.47 Favored 'General case' 0 C--N 1.346 0.448 0 N-CA-C 114.948 1.462 . . . . 0.0 114.948 173.631 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.4 -3.51 16.08 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 120.256 -1.527 . . . . 0.0 113.685 -164.276 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -114.0 -19.98 6.18 Favored Glycine 0 CA--C 1.5 -0.851 0 O-C-N 119.885 -1.759 . . . . 0.0 111.885 171.609 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -115.1 -75.76 0.58 Allowed 'General case' 0 N--CA 1.445 -0.711 0 O-C-N 121.901 -0.764 . . . . 0.0 111.049 177.386 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.55 -44.77 89.77 Favored 'General case' 0 C--N 1.351 0.652 0 N-CA-C 116.743 2.127 . . . . 0.0 116.743 -164.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? -62.94 -43.66 98.19 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 120.442 -1.411 . . . . 0.0 112.907 174.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -70.94 -36.76 72.73 Favored 'General case' 0 C--N 1.346 0.419 0 O-C-N 120.922 -1.111 . . . . 0.0 112.83 -178.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.2 tt -60.42 -40.84 92.47 Favored 'General case' 0 C--N 1.347 0.474 0 C-N-CA 124.992 1.317 . . . . 0.0 112.538 170.404 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -92.68 12.82 22.0 Favored 'General case' 0 N--CA 1.446 -0.652 0 O-C-N 120.57 -1.331 . . . . 0.0 112.762 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.0 t -60.64 -31.88 71.07 Favored 'General case' 0 C--N 1.353 0.727 0 O-C-N 120.491 -1.381 . . . . 0.0 114.562 -170.036 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.3 m -58.22 -38.92 77.74 Favored 'General case' 0 C--N 1.342 0.281 0 C-N-CA 124.737 1.215 . . . . 0.0 113.006 174.61 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -105.21 -21.95 13.16 Favored 'General case' 0 C--N 1.347 0.481 0 O-C-N 121.16 -0.963 . . . . 0.0 112.423 -171.26 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -112.5 7.81 19.12 Favored 'General case' 0 C--N 1.349 0.551 0 O-C-N 120.894 -1.129 . . . . 0.0 110.901 -176.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.9 t-160 . . . . . 0 CA--C 1.512 -0.491 0 O-C-N 120.332 -1.48 . . . . 0.0 109.806 178.944 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.055 0 N-CA-C 110.39 -1.084 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.9 tt -58.78 -36.77 62.48 Favored 'Isoleucine or valine' 0 C--N 1.346 0.449 0 C-N-CA 125.634 1.574 . . . . 0.0 113.619 -174.683 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.15 -31.47 62.04 Favored Glycine 0 C--N 1.353 1.528 0 O-C-N 120.667 -1.271 . . . . 0.0 114.051 175.49 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.45 -2.3 84.08 Favored Glycine 0 C--N 1.349 1.272 0 C-N-CA 124.694 1.14 . . . . 0.0 114.21 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.54 -20.95 4.99 Favored 'General case' 0 C--N 1.348 0.509 0 O-C-N 120.904 -1.351 . . . . 0.0 112.906 170.803 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 27.8 pt -84.73 -44.07 17.42 Favored 'Isoleucine or valine' 0 C--N 1.355 0.829 0 O-C-N 120.197 -1.564 . . . . 0.0 113.203 171.602 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 87.2 mt -76.17 -22.19 55.67 Favored 'General case' 0 C--N 1.355 0.829 0 O-C-N 119.413 -2.055 . . . . 0.0 111.545 -176.633 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.7 m -69.71 -12.88 61.98 Favored 'General case' 0 CA--C 1.514 -0.442 0 C-N-CA 126.495 1.918 . . . . 0.0 113.247 175.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.58 -48.44 1.19 Allowed Glycine 0 C--N 1.352 1.42 0 O-C-N 121.405 -0.809 . . . . 0.0 111.576 159.655 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.4 tt -63.75 -42.75 97.8 Favored 'General case' 0 C--N 1.348 0.509 0 N-CA-C 115.783 1.771 . . . . 0.0 115.783 -170.526 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.4 mmtm -99.27 -19.4 17.1 Favored 'General case' 0 C--N 1.346 0.44 0 O-C-N 119.704 -1.873 . . . . 0.0 111.446 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.4 m -63.38 -39.35 94.28 Favored 'General case' 0 CA--C 1.51 -0.563 0 C-N-CA 124.165 0.986 . . . . 0.0 111.975 166.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.01 -45.78 93.42 Favored 'General case' 0 N--CA 1.448 -0.527 0 O-C-N 119.942 -1.723 . . . . 0.0 113.197 171.154 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.8 tp -73.17 -49.44 28.13 Favored 'General case' 0 C--N 1.348 0.502 0 N-CA-C 115.921 1.823 . . . . 0.0 115.921 -178.598 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.18 4.39 16.51 Favored 'General case' 0 C--N 1.35 0.619 0 O-C-N 120.07 -1.643 . . . . 0.0 111.222 -171.169 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -102.89 -81.43 1.54 Allowed Glycine 0 CA--C 1.495 -1.167 0 N-CA-C 107.909 -2.076 . . . . 0.0 107.909 163.573 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.73 -52.47 56.85 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 116.225 1.935 . . . . 0.0 116.225 -172.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.09 -48.85 66.94 Favored 'General case' 0 C--N 1.35 0.622 0 N-CA-C 116.044 1.868 . . . . 0.0 116.044 -168.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.69 -40.0 84.4 Favored 'General case' 0 C--N 1.35 0.615 0 O-C-N 120.464 -1.397 . . . . 0.0 112.888 179.651 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.3 mp0 -74.26 -37.2 63.82 Favored 'General case' 0 C--N 1.346 0.438 0 O-C-N 120.395 -1.441 . . . . 0.0 113.049 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.2 tt -63.37 -41.54 98.82 Favored 'General case' 0 C--N 1.353 0.731 0 O-C-N 120.086 -1.634 . . . . 0.0 112.893 170.633 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.6 18.11 6.72 Favored 'General case' 0 N--CA 1.447 -0.581 0 O-C-N 120.346 -1.471 . . . . 0.0 112.392 -179.13 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.4 t -68.97 -16.13 63.66 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 120.382 -1.449 . . . . 0.0 114.268 -169.307 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.6 m -59.85 -36.59 77.18 Favored 'General case' 0 C--N 1.342 0.27 0 C-N-CA 124.551 1.14 . . . . 0.0 112.831 170.102 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -123.33 -27.09 4.16 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 121.19 -0.944 . . . . 0.0 112.908 -171.232 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -107.87 18.36 21.39 Favored 'General case' 0 C--N 1.347 0.493 0 O-C-N 120.229 -1.544 . . . . 0.0 111.189 -172.013 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 60.9 t60 . . . . . 0 C--N 1.347 0.48 0 O-C-N 119.891 -1.756 . . . . 0.0 112.254 177.828 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.043 0 N-CA-C 110.282 -1.127 . . . . 0.0 110.282 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.5 tt -59.05 -37.27 66.89 Favored 'Isoleucine or valine' 0 C--N 1.346 0.421 0 C-N-CA 125.565 1.546 . . . . 0.0 113.471 -175.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.49 -30.0 61.41 Favored Glycine 0 C--N 1.354 1.576 0 C-N-CA 125.306 1.431 . . . . 0.0 114.105 176.084 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.47 -1.51 76.51 Favored Glycine 0 C--N 1.349 1.299 0 C-N-CA 124.784 1.183 . . . . 0.0 114.13 -178.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.35 -29.61 2.7 Favored 'General case' 0 C--N 1.348 0.51 0 O-C-N 121.114 -1.227 . . . . 0.0 112.494 168.621 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 29.3 pt -72.01 -42.66 68.19 Favored 'Isoleucine or valine' 0 C--N 1.356 0.884 0 O-C-N 119.539 -1.976 . . . . 0.0 113.736 173.195 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 86.6 mt -77.18 -22.97 51.6 Favored 'General case' 0 C--N 1.354 0.78 0 O-C-N 119.61 -1.931 . . . . 0.0 111.659 -179.051 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.8 m -71.67 -15.37 62.22 Favored 'General case' 0 CA--C 1.512 -0.491 0 C-N-CA 125.653 1.581 . . . . 0.0 112.92 178.217 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.51 -47.11 1.71 Allowed Glycine 0 C--N 1.35 1.344 0 O-C-N 121.352 -0.843 . . . . 0.0 111.587 161.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.9 tt -65.98 -46.66 77.24 Favored 'General case' 0 C--N 1.348 0.528 0 N-CA-C 115.685 1.735 . . . . 0.0 115.685 -172.251 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.6 mmtm -83.05 -25.99 31.58 Favored 'General case' 0 C--N 1.348 0.516 0 O-C-N 119.607 -1.933 . . . . 0.0 111.556 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 32.8 m -62.88 -45.42 92.65 Favored 'General case' 0 CA--C 1.511 -0.529 0 C-N-CA 124.039 0.936 . . . . 0.0 111.808 170.115 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.86 -45.78 80.87 Favored 'General case' 0 C--N 1.348 0.529 0 O-C-N 120.436 -1.415 . . . . 0.0 113.595 170.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.5 tp -64.2 -40.24 95.67 Favored 'General case' 0 C--N 1.35 0.598 0 N-CA-C 115.524 1.675 . . . . 0.0 115.524 -176.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.31 -26.99 0.98 Allowed 'General case' 0 C--N 1.351 0.656 0 O-C-N 120.304 -1.497 . . . . 0.0 114.685 -177.421 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.37 -59.52 9.47 Favored Glycine 0 C--N 1.354 1.567 0 CA-C-N 121.887 2.13 . . . . 0.0 115.457 164.319 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.77 -35.41 80.5 Favored 'General case' 0 N--CA 1.449 -0.485 0 O-C-N 120.761 -1.435 . . . . 0.0 112.299 177.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -88.39 14.01 10.55 Favored 'General case' 0 N--CA 1.444 -0.741 0 O-C-N 120.922 -1.111 . . . . 0.0 112.548 178.652 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -94.07 -60.77 1.66 Allowed 'General case' 0 C--N 1.349 0.553 0 N-CA-C 106.853 -1.536 . . . . 0.0 106.853 150.481 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.05 -36.9 83.0 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 -166.442 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -102.51 -0.89 31.55 Favored 'General case' 0 C--N 1.346 0.447 0 O-C-N 120.768 -1.208 . . . . 0.0 112.817 176.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -137.11 9.04 2.98 Favored 'General case' 0 C--N 1.354 0.769 0 N-CA-C 116.019 1.859 . . . . 0.0 116.019 -174.175 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.2 m -63.63 -36.98 85.63 Favored 'General case' 0 C--N 1.349 0.577 0 O-C-N 119.868 -1.77 . . . . 0.0 112.401 176.47 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.0 m -57.38 -39.64 76.49 Favored 'General case' 0 C--N 1.344 0.35 0 C-N-CA 125.385 1.474 . . . . 0.0 113.316 176.095 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -100.49 -12.6 19.19 Favored 'General case' 0 C--N 1.347 0.492 0 O-C-N 121.076 -1.015 . . . . 0.0 112.796 -168.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -115.81 3.93 13.86 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 121.101 -0.999 . . . . 0.0 110.67 178.219 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 . . . . . 0 CA--C 1.511 -0.521 0 O-C-N 120.795 -1.191 . . . . 0.0 109.63 179.892 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.059 0 N-CA-C 109.994 -1.242 . . . . 0.0 109.994 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.4 tt -60.28 -38.1 76.23 Favored 'Isoleucine or valine' 0 C--N 1.346 0.415 0 C-N-CA 125.402 1.481 . . . . 0.0 113.41 -178.186 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -66.21 -26.96 72.64 Favored Glycine 0 C--N 1.351 1.407 0 C-N-CA 124.148 0.88 . . . . 0.0 114.257 173.128 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.2 -40.84 70.7 Favored Glycine 0 C--N 1.349 1.256 0 O-C-N 120.71 -1.465 . . . . 0.0 113.167 -173.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.75 -42.04 91.4 Favored 'General case' 0 C--N 1.346 0.446 0 O-C-N 121.11 -1.229 . . . . 0.0 114.02 176.274 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 38.3 pt -68.57 -42.33 83.46 Favored 'Isoleucine or valine' 0 C--N 1.354 0.792 0 O-C-N 120.267 -1.521 . . . . 0.0 113.276 174.156 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 79.7 mt -64.01 -39.91 95.17 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 120.33 -1.481 . . . . 0.0 113.158 175.558 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.3 t -60.71 -45.23 95.01 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 123.541 0.736 . . . . 0.0 112.709 174.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.55 -41.5 84.19 Favored Glycine 0 C--N 1.353 1.511 0 O-C-N 120.53 -1.357 . . . . 0.0 113.279 177.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.92 -46.73 83.48 Favored 'General case' 0 C--N 1.347 0.499 0 O-C-N 121.441 -1.035 . . . . 0.0 112.898 175.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -66.41 -40.61 89.67 Favored 'General case' 0 C--N 1.35 0.59 0 O-C-N 120.114 -1.616 . . . . 0.0 113.236 175.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 92.8 m -61.61 -44.42 97.03 Favored 'General case' 0 C--N 1.348 0.528 0 O-C-N 121.477 -0.765 . . . . 0.0 111.843 176.029 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.71 -47.22 81.99 Favored 'General case' 0 N--CA 1.449 -0.498 0 O-C-N 120.427 -1.421 . . . . 0.0 113.729 173.087 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.4 tp -66.84 -42.38 85.88 Favored 'General case' 0 C--N 1.347 0.496 0 N-CA-C 115.563 1.69 . . . . 0.0 115.563 -178.488 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -154.67 22.44 0.46 Allowed 'General case' 0 N--CA 1.45 -0.455 0 O-C-N 119.762 -1.836 . . . . 0.0 112.665 -168.035 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -105.66 -76.37 1.04 Allowed Glycine 0 C--N 1.348 1.247 0 N-CA-C 108.273 -1.931 . . . . 0.0 108.273 164.202 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.5 -41.92 95.31 Favored 'General case' 0 N--CA 1.449 -0.505 0 O-C-N 120.669 -1.489 . . . . 0.0 112.358 174.671 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.54 17.98 6.81 Favored 'General case' 0 N--CA 1.448 -0.573 0 O-C-N 120.832 -1.168 . . . . 0.0 112.4 174.485 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.9 tttm -93.25 -58.78 2.2 Favored 'General case' 0 C--N 1.349 0.578 0 O-C-N 120.265 -1.522 . . . . 0.0 108.063 150.648 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.56 -43.17 97.55 Favored 'General case' 0 C--N 1.345 0.396 0 N-CA-C 114.986 1.476 . . . . 0.0 114.986 -174.17 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 34.4 tp -74.13 -17.19 60.96 Favored 'General case' 0 C--N 1.347 0.484 0 O-C-N 120.166 -1.584 . . . . 0.0 112.624 177.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -106.11 -1.96 23.17 Favored 'General case' 0 N--CA 1.444 -0.756 0 O-C-N 120.442 -1.411 . . . . 0.0 112.325 -178.385 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.4 t -62.16 -40.62 96.59 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 120.863 -1.148 . . . . 0.0 113.878 -164.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.3 m -59.54 -38.59 81.46 Favored 'General case' 0 C--N 1.345 0.406 0 C-N-CA 125.399 1.48 . . . . 0.0 112.674 175.117 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -93.55 -0.89 56.08 Favored 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 120.892 -1.13 . . . . 0.0 111.432 -168.435 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -112.65 12.96 19.86 Favored 'General case' 0 C--N 1.345 0.395 0 C-N-CA 124.909 1.284 . . . . 0.0 108.192 168.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 60.3 t-80 . . . . . 0 N--CA 1.448 -0.533 0 O-C-N 120.927 -1.108 . . . . 0.0 109.75 179.471 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.04 0 N-CA-C 110.374 -1.091 . . . . 0.0 110.374 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.0 tt -58.39 -35.35 53.61 Favored 'Isoleucine or valine' 0 C--N 1.345 0.401 0 C-N-CA 125.939 1.695 . . . . 0.0 113.653 -174.605 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.69 -31.89 68.41 Favored Glycine 0 C--N 1.353 1.499 0 O-C-N 120.857 -1.152 . . . . 0.0 114.484 175.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.5 -4.74 89.3 Favored Glycine 0 C--N 1.35 1.313 0 O-C-N 121.692 -0.887 . . . . 0.0 113.308 177.416 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 54.4 tttp -98.54 -55.79 2.64 Favored 'General case' 0 N--CA 1.444 -0.744 0 O-C-N 121.169 -1.195 . . . . 0.0 109.807 168.332 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 27.6 pt -70.51 -42.21 78.18 Favored 'Isoleucine or valine' 0 C--N 1.352 0.687 0 N-CA-C 115.365 1.617 . . . . 0.0 115.365 -174.641 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 83.7 mt -77.49 -20.56 54.16 Favored 'General case' 0 C--N 1.353 0.755 0 O-C-N 119.501 -1.999 . . . . 0.0 111.614 -176.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.2 m -72.05 -14.38 61.85 Favored 'General case' 0 CA--C 1.513 -0.477 0 C-N-CA 125.568 1.547 . . . . 0.0 112.733 176.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.01 -48.74 1.32 Allowed Glycine 0 C--N 1.351 1.366 0 O-C-N 121.304 -0.873 . . . . 0.0 111.696 160.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -66.58 -47.26 73.3 Favored 'General case' 0 C--N 1.348 0.543 0 N-CA-C 115.23 1.567 . . . . 0.0 115.23 -171.417 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.7 mmtm -85.46 -23.13 27.95 Favored 'General case' 0 C--N 1.348 0.504 0 O-C-N 119.472 -2.018 . . . . 0.0 111.383 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 45.2 m -62.63 -45.97 90.38 Favored 'General case' 0 CA--C 1.512 -0.513 0 O-C-N 121.205 -0.935 . . . . 0.0 111.709 169.011 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.12 -47.07 75.33 Favored 'General case' 0 C--N 1.348 0.522 0 O-C-N 120.399 -1.438 . . . . 0.0 113.598 171.153 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 29.1 tp -74.34 -20.35 60.13 Favored 'General case' 0 C--N 1.349 0.562 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 -172.305 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -143.32 -21.37 0.62 Allowed 'General case' 0 C--N 1.349 0.576 0 O-C-N 119.649 -1.907 . . . . 0.0 115.721 178.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.28 -57.65 3.59 Favored Glycine 0 C--N 1.352 1.448 0 CA-C-N 121.021 1.737 . . . . 0.0 112.55 171.069 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.3 -40.57 96.71 Favored 'General case' 0 C--N 1.346 0.434 0 O-C-N 120.497 -1.59 . . . . 0.0 111.396 174.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -83.79 24.1 0.92 Allowed 'General case' 0 N--CA 1.443 -0.797 0 O-C-N 121.273 -0.892 . . . . 0.0 113.097 170.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.404 ' NZ ' ' OE2' ' A' ' 20' ' ' GLU . 1.9 ttpm? -101.64 -60.85 1.46 Allowed 'General case' 0 C--N 1.35 0.604 0 O-C-N 119.049 -2.282 . . . . 0.0 107.22 150.498 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.404 ' OE2' ' NZ ' ' A' ' 19' ' ' LYS . 1.7 mp0 -57.17 -41.59 79.55 Favored 'General case' 0 C--N 1.343 0.321 0 N-CA-C 115.061 1.504 . . . . 0.0 115.061 -175.24 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 35.7 tp -75.97 -17.71 59.61 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 120.491 -1.381 . . . . 0.0 112.875 175.075 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -100.91 -21.78 14.99 Favored 'General case' 0 N--CA 1.448 -0.574 0 O-C-N 120.03 -1.669 . . . . 0.0 113.029 -176.003 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.8 m -60.83 -32.45 71.83 Favored 'General case' 0 C--N 1.349 0.585 0 O-C-N 120.31 -1.494 . . . . 0.0 113.253 -178.194 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.0 m -56.75 -37.31 70.85 Favored 'General case' 0 C--N 1.342 0.258 0 C-N-CA 124.61 1.164 . . . . 0.0 113.277 172.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -107.52 -25.9 11.17 Favored 'General case' 0 C--N 1.349 0.55 0 O-C-N 121.271 -0.893 . . . . 0.0 112.924 -171.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -109.76 -4.79 15.86 Favored 'General case' 0 C--N 1.349 0.578 0 O-C-N 120.783 -1.198 . . . . 0.0 111.959 -176.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 31.3 m170 . . . . . 0 CA--C 1.509 -0.606 0 O-C-N 120.379 -1.45 . . . . 0.0 109.871 177.872 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.038 0 N-CA-C 110.289 -1.124 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.5 tt -59.05 -37.34 67.37 Favored 'Isoleucine or valine' 0 C--N 1.345 0.4 0 C-N-CA 125.527 1.531 . . . . 0.0 113.446 -176.007 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.75 -29.6 61.71 Favored Glycine 0 C--N 1.354 1.557 0 C-N-CA 125.256 1.408 . . . . 0.0 114.057 175.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.39 -1.43 75.77 Favored Glycine 0 C--N 1.349 1.299 0 C-N-CA 124.827 1.203 . . . . 0.0 114.081 -179.009 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.54 -29.69 2.64 Favored 'General case' 0 C--N 1.348 0.504 0 O-C-N 121.128 -1.219 . . . . 0.0 112.65 168.574 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 29.1 pt -72.32 -42.82 65.52 Favored 'Isoleucine or valine' 0 C--N 1.356 0.872 0 O-C-N 119.467 -2.021 . . . . 0.0 113.696 173.18 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 87.4 mt -77.67 -22.39 50.63 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 119.503 -1.998 . . . . 0.0 111.453 -179.118 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.6 m -71.92 -14.74 62.01 Favored 'General case' 0 CA--C 1.512 -0.508 0 C-N-CA 125.506 1.522 . . . . 0.0 112.918 177.64 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.67 -46.99 1.86 Allowed Glycine 0 C--N 1.35 1.347 0 O-C-N 121.347 -0.845 . . . . 0.0 111.728 162.437 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.3 tt -66.05 -48.93 69.44 Favored 'General case' 0 C--N 1.35 0.59 0 N-CA-C 115.457 1.651 . . . . 0.0 115.457 -172.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -73.78 -37.55 64.93 Favored 'General case' 0 C--N 1.348 0.535 0 O-C-N 119.932 -1.73 . . . . 0.0 111.27 179.144 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.8 m -60.38 -43.41 96.63 Favored 'General case' 0 CA--C 1.511 -0.554 0 C-N-CA 125.212 1.405 . . . . 0.0 112.61 175.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.12 -47.76 78.72 Favored 'General case' 0 C--N 1.347 0.475 0 O-C-N 119.984 -1.698 . . . . 0.0 113.061 170.387 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 47.9 tp -62.51 -40.8 97.89 Favored 'General case' 0 C--N 1.349 0.583 0 N-CA-C 115.722 1.749 . . . . 0.0 115.722 -176.312 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -149.71 21.49 0.91 Allowed 'General case' 0 N--CA 1.451 -0.391 0 O-C-N 119.745 -1.847 . . . . 0.0 112.621 -173.031 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -106.62 -74.36 0.9 Allowed Glycine 0 C--N 1.346 1.115 0 N-CA-C 107.693 -2.163 . . . . 0.0 107.693 161.199 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.95 -44.42 94.42 Favored 'General case' 0 N--CA 1.45 -0.444 0 O-C-N 120.72 -1.459 . . . . 0.0 112.867 176.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.87 20.66 4.63 Favored 'General case' 0 C--N 1.349 0.561 0 O-C-N 120.538 -1.351 . . . . 0.0 112.439 173.673 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 37.9 tttm -92.96 -56.85 2.83 Favored 'General case' 0 C--N 1.349 0.545 0 O-C-N 120.075 -1.641 . . . . 0.0 108.347 150.549 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.89 -40.74 98.48 Favored 'General case' 0 C--N 1.345 0.388 0 N-CA-C 114.976 1.473 . . . . 0.0 114.976 -176.283 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 35.4 tp -74.35 -16.8 60.9 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 120.116 -1.615 . . . . 0.0 112.49 175.052 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -102.1 3.25 38.41 Favored 'General case' 0 N--CA 1.447 -0.607 0 O-C-N 120.23 -1.544 . . . . 0.0 111.605 179.597 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.6 p -61.26 -48.43 81.45 Favored 'General case' 0 C--N 1.348 0.525 0 N-CA-C 115.328 1.603 . . . . 0.0 115.328 -165.534 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 98.3 m -69.66 -45.9 67.34 Favored 'General case' 0 CA--C 1.515 -0.382 0 O-C-N 120.92 -1.113 . . . . 0.0 111.401 175.127 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -66.16 -40.5 90.59 Favored 'General case' 0 C--N 1.345 0.398 0 N-CA-C 115.374 1.62 . . . . 0.0 115.374 -172.612 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -108.81 5.52 24.67 Favored 'General case' 0 C--N 1.347 0.458 0 O-C-N 121.221 -0.924 . . . . 0.0 110.751 -176.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 21.6 t-160 . . . . . 0 CA--C 1.512 -0.486 0 O-C-N 120.732 -1.23 . . . . 0.0 109.792 179.172 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.498 -1.024 0 N-CA-C 110.412 -1.075 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.1 tt -58.61 -36.13 58.39 Favored 'Isoleucine or valine' 0 C--N 1.345 0.388 0 C-N-CA 125.835 1.654 . . . . 0.0 113.709 -174.703 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -59.15 -31.69 69.76 Favored Glycine 0 C--N 1.353 1.519 0 O-C-N 120.822 -1.174 . . . . 0.0 114.326 175.476 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.59 -5.26 89.38 Favored Glycine 0 C--N 1.35 1.317 0 O-C-N 121.584 -0.951 . . . . 0.0 113.353 177.39 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -96.91 -54.49 3.18 Favored 'General case' 0 N--CA 1.445 -0.69 0 O-C-N 120.944 -1.327 . . . . 0.0 109.918 167.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 30.1 pt -71.59 -43.19 71.65 Favored 'Isoleucine or valine' 0 C--N 1.351 0.65 0 N-CA-C 115.329 1.603 . . . . 0.0 115.329 -174.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 86.7 mt -76.19 -19.75 58.14 Favored 'General case' 0 C--N 1.354 0.802 0 O-C-N 119.459 -2.026 . . . . 0.0 111.681 -175.429 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.5 m -70.06 -14.57 62.73 Favored 'General case' 0 CA--C 1.514 -0.432 0 C-N-CA 125.802 1.641 . . . . 0.0 112.954 176.657 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.24 -48.59 1.13 Allowed Glycine 0 C--N 1.352 1.424 0 O-C-N 121.208 -0.933 . . . . 0.0 111.914 158.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -64.35 -35.07 79.69 Favored 'General case' 0 C--N 1.349 0.577 0 N-CA-C 115.259 1.578 . . . . 0.0 115.259 -169.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.8 mmtm -109.74 -17.8 13.59 Favored 'General case' 0 CA--C 1.514 -0.431 0 O-C-N 119.053 -2.28 . . . . 0.0 112.77 175.184 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 38.0 m -65.28 -47.92 75.0 Favored 'General case' 0 CA--C 1.511 -0.533 0 O-C-N 120.468 -1.395 . . . . 0.0 112.01 168.452 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.55 -51.02 31.45 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 120.448 -1.408 . . . . 0.0 112.147 174.646 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 34.3 tp -99.84 61.7 1.14 Allowed 'General case' 0 C--N 1.347 0.462 0 O-C-N 120.172 -1.58 . . . . 0.0 110.432 -175.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.1 tptm 177.77 -48.06 0.01 OUTLIER 'General case' 0 C--N 1.347 0.473 0 C-N-CA 127.732 2.413 . . . . 0.0 108.44 159.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.49 -67.96 1.68 Allowed Glycine 0 C--N 1.352 1.443 0 O-C-N 121.701 -0.624 . . . . 0.0 113.106 179.283 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.3 -37.93 84.98 Favored 'General case' 0 C--N 1.347 0.479 0 C-N-CA 124.83 1.252 . . . . 0.0 112.213 179.551 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.76 -47.13 64.26 Favored 'General case' 0 C--N 1.347 0.498 0 N-CA-C 115.307 1.595 . . . . 0.0 115.307 168.186 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.19 -40.72 82.15 Favored 'General case' 0 C--N 1.355 0.81 0 O-C-N 120.192 -1.568 . . . . 0.0 112.116 174.31 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -61.82 -49.82 74.77 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 125.41 1.484 . . . . 0.0 113.605 179.308 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -64.92 -42.03 95.04 Favored 'General case' 0 C--N 1.347 0.496 0 C-N-CA 125.778 1.631 . . . . 0.0 112.807 175.253 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.57 11.05 25.48 Favored 'General case' 0 N--CA 1.446 -0.627 0 O-C-N 120.161 -1.587 . . . . 0.0 112.334 -176.258 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.0 t -60.02 -39.55 86.24 Favored 'General case' 0 C--N 1.349 0.568 0 N-CA-C 114.379 1.251 . . . . 0.0 114.379 -170.03 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.2 m -66.14 -26.52 67.48 Favored 'General case' 0 CA--C 1.52 -0.192 0 C-N-CA 124.828 1.251 . . . . 0.0 113.127 178.486 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -111.81 -38.85 4.73 Favored 'General case' 0 C--N 1.347 0.478 0 O-C-N 120.996 -1.065 . . . . 0.0 111.084 -164.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -108.73 10.34 26.8 Favored 'General case' 0 C--N 1.347 0.494 0 O-C-N 120.958 -1.089 . . . . 0.0 110.114 -177.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 21.4 t-160 . . . . . 0 C--N 1.347 0.457 0 O-C-N 120.17 -1.581 . . . . 0.0 110.039 174.715 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.07 0 N-CA-C 110.315 -1.114 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -65.56 -20.27 27.13 Favored 'Isoleucine or valine' 0 C--N 1.344 0.36 0 C-N-CA 125.434 1.494 . . . . 0.0 113.458 -174.435 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.56 -31.05 66.24 Favored Glycine 0 C--N 1.353 1.513 0 C-N-CA 124.768 1.175 . . . . 0.0 113.862 171.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.3 -4.29 86.64 Favored Glycine 0 C--N 1.351 1.37 0 O-C-N 121.624 -0.927 . . . . 0.0 113.446 176.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -99.05 -56.47 2.42 Favored 'General case' 0 N--CA 1.445 -0.689 0 O-C-N 121.056 -1.261 . . . . 0.0 109.821 167.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 32.9 pt -70.16 -41.87 79.02 Favored 'Isoleucine or valine' 0 C--N 1.352 0.701 0 N-CA-C 115.548 1.684 . . . . 0.0 115.548 -174.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 81.1 mt -77.68 -20.35 53.83 Favored 'General case' 0 C--N 1.353 0.739 0 O-C-N 119.43 -2.044 . . . . 0.0 111.504 -176.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.3 m -71.84 -14.67 62.03 Favored 'General case' 0 CA--C 1.511 -0.526 0 C-N-CA 125.542 1.537 . . . . 0.0 112.779 176.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.76 -49.07 1.31 Allowed Glycine 0 C--N 1.351 1.394 0 O-C-N 121.306 -0.871 . . . . 0.0 111.688 161.108 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -66.48 -47.19 73.84 Favored 'General case' 0 C--N 1.349 0.559 0 N-CA-C 115.262 1.578 . . . . 0.0 115.262 -171.388 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.0 mmtm -84.66 -24.36 29.06 Favored 'General case' 0 C--N 1.348 0.508 0 O-C-N 119.567 -1.958 . . . . 0.0 111.4 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 34.9 m -63.15 -44.99 93.97 Favored 'General case' 0 CA--C 1.511 -0.523 0 O-C-N 121.454 -0.779 . . . . 0.0 111.952 169.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.95 -48.57 68.14 Favored 'General case' 0 C--N 1.349 0.555 0 O-C-N 120.621 -1.299 . . . . 0.0 113.61 172.002 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.5 tp -67.32 -32.32 73.2 Favored 'General case' 0 C--N 1.351 0.654 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -176.225 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . 0.335 0.9 OUTLIER -113.22 -64.08 1.36 Allowed 'General case' 0 CA--C 1.504 -0.79 0 O-C-N 119.802 -1.811 . . . . 0.0 115.275 175.733 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -54.89 -62.52 6.17 Favored Glycine 0 C--N 1.35 1.352 0 CA-C-N 120.298 1.408 . . . . 0.0 115.986 -177.144 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.51 -43.2 97.91 Favored 'General case' 0 C--N 1.345 0.385 0 O-C-N 120.294 -1.71 . . . . 0.0 112.871 -179.285 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.32 -46.07 65.88 Favored 'General case' 0 N--CA 1.441 -0.879 0 N-CA-C 120.326 3.454 . . . . 0.0 120.326 168.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? -63.39 -41.76 98.78 Favored 'General case' 0 C--N 1.35 0.612 1 N-CA-C 121.821 4.008 . . . . 0.0 121.821 151.749 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.42 -40.11 93.2 Favored 'General case' 0 N--CA 1.463 0.18 0 O-C-N 118.66 -2.525 . . . . 0.0 113.58 178.513 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.6 tt -65.88 -44.99 83.69 Favored 'General case' 0 N--CA 1.451 -0.396 0 O-C-N 120.916 -1.115 . . . . 0.0 113.441 167.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -94.13 5.22 52.4 Favored 'General case' 0 C--N 1.35 0.607 0 O-C-N 119.653 -1.904 . . . . 0.0 115.123 -168.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.7 m -70.47 -12.72 61.76 Favored 'General case' 0 C--N 1.349 0.565 0 O-C-N 119.505 -1.997 . . . . 0.0 113.255 177.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.6 t -76.9 -21.49 54.82 Favored 'General case' 0 C--N 1.344 0.354 0 O-C-N 120.017 -1.677 . . . . 0.0 112.663 166.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -113.98 -38.0 4.32 Favored 'General case' 0 C--N 1.352 0.677 0 O-C-N 120.593 -1.317 . . . . 0.0 113.136 -172.115 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -118.51 13.66 13.5 Favored 'General case' 0 C--N 1.348 0.529 0 C-N-CA 125.388 1.475 . . . . 0.0 109.322 -177.565 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 22.6 m80 . . . . . 0 C--O 1.239 0.543 0 N-CA-C 117.057 2.243 . . . . 0.0 117.057 168.172 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.044 0 N-CA-C 110.272 -1.131 . . . . 0.0 110.272 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.4 tt -59.1 -36.23 61.47 Favored 'Isoleucine or valine' 0 C--N 1.345 0.41 0 C-N-CA 125.554 1.541 . . . . 0.0 113.533 -176.057 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.78 -30.33 59.57 Favored Glycine 0 C--N 1.355 1.592 0 C-N-CA 125.318 1.437 . . . . 0.0 113.951 175.111 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.92 -1.35 72.69 Favored Glycine 0 C--N 1.348 1.217 0 C-N-CA 124.799 1.19 . . . . 0.0 114.118 -178.599 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.91 -29.89 2.78 Favored 'General case' 0 C--N 1.347 0.466 0 O-C-N 121.212 -1.169 . . . . 0.0 112.657 168.145 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 30.0 pt -71.97 -42.61 68.54 Favored 'Isoleucine or valine' 0 C--N 1.355 0.847 0 O-C-N 119.434 -2.041 . . . . 0.0 113.803 174.055 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.4 mt -71.89 -35.49 69.74 Favored 'General case' 0 C--N 1.354 0.802 0 O-C-N 120.065 -1.647 . . . . 0.0 111.703 177.013 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.8 m -67.27 -14.38 62.86 Favored 'General case' 0 C--N 1.346 0.423 0 C-N-CA 125.888 1.675 . . . . 0.0 113.577 178.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.05 -70.6 1.17 Allowed Glycine 0 C--N 1.346 1.129 0 N-CA-C 110.58 -1.008 . . . . 0.0 110.58 161.459 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -61.4 -46.29 90.77 Favored 'General case' 0 C--N 1.347 0.491 0 N-CA-C 115.652 1.723 . . . . 0.0 115.652 -167.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm -83.19 -23.98 32.64 Favored 'General case' 0 C--N 1.347 0.49 0 O-C-N 119.409 -2.057 . . . . 0.0 112.036 -179.683 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 64.8 m -62.92 -44.66 95.48 Favored 'General case' 0 CA--C 1.51 -0.592 0 O-C-N 121.101 -1.0 . . . . 0.0 111.431 168.474 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.79 -48.79 70.59 Favored 'General case' 0 N--CA 1.449 -0.485 0 O-C-N 120.482 -1.386 . . . . 0.0 113.666 171.054 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 30.4 tp -75.19 -21.56 58.62 Favored 'General case' 0 C--N 1.35 0.598 0 N-CA-C 114.898 1.444 . . . . 0.0 114.898 -171.273 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.4 tptp -132.46 -28.1 1.69 Allowed 'General case' 0 C--N 1.348 0.532 0 O-C-N 119.611 -1.93 . . . . 0.0 114.047 177.478 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.39 -69.16 1.42 Allowed Glycine 0 C--N 1.349 1.275 0 CA-C-N 120.344 1.429 . . . . 0.0 112.062 177.145 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.29 -37.53 77.92 Favored 'General case' 0 C--N 1.347 0.458 0 C-N-CA 124.975 1.31 . . . . 0.0 112.265 178.483 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.57 -46.88 63.59 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 125.375 1.47 . . . . 0.0 114.895 165.307 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.35 -46.15 89.97 Favored 'General case' 0 C--N 1.361 1.072 0 O-C-N 119.874 -1.766 . . . . 0.0 111.761 173.597 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -62.3 -44.65 96.02 Favored 'General case' 0 C--N 1.345 0.409 0 O-C-N 121.014 -1.054 . . . . 0.0 113.162 -178.294 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -62.59 -42.86 99.82 Favored 'General case' 0 C--N 1.348 0.514 0 C-N-CA 124.354 1.062 . . . . 0.0 113.172 172.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -92.65 9.38 35.08 Favored 'General case' 0 N--CA 1.447 -0.617 0 O-C-N 120.025 -1.672 . . . . 0.0 113.629 -173.727 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.6 m -60.97 -41.36 96.22 Favored 'General case' 0 CA--C 1.51 -0.583 0 O-C-N 120.541 -1.349 . . . . 0.0 113.944 -173.066 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.93 4.07 51.77 Favored 'General case' 0 C--N 1.343 0.309 0 CA-C-O 121.716 0.769 . . . . 0.0 111.116 -177.465 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -111.31 -38.3 5.03 Favored 'General case' 0 C--N 1.348 0.507 0 O-C-N 120.65 -1.281 . . . . 0.0 111.589 -178.529 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.8 mp -109.14 7.96 25.77 Favored 'General case' 0 C--N 1.346 0.456 0 O-C-N 121.002 -1.061 . . . . 0.0 109.8 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 63.0 t-80 . . . . . 0 N--CA 1.446 -0.663 0 O-C-N 120.802 -1.186 . . . . 0.0 108.149 173.897 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.047 0 N-CA-C 110.368 -1.093 . . . . 0.0 110.368 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.0 tt -58.29 -38.59 69.81 Favored 'Isoleucine or valine' 0 C--N 1.345 0.389 0 C-N-CA 125.807 1.643 . . . . 0.0 113.713 -173.392 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.34 -30.04 70.33 Favored Glycine 0 C--N 1.353 1.49 0 O-C-N 120.572 -1.33 . . . . 0.0 114.053 176.056 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.44 -4.71 84.88 Favored Glycine 0 C--N 1.348 1.212 0 O-C-N 121.255 -1.144 . . . . 0.0 113.765 -178.379 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.09 14.83 13.19 Favored 'General case' 0 N--CA 1.449 -0.513 0 O-C-N 121.096 -1.238 . . . . 0.0 112.194 172.225 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 20.9 pt -130.4 -37.97 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.804 0 O-C-N 121.139 -0.975 . . . . 0.0 112.454 166.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 90.2 mt -76.36 -22.46 54.82 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 119.339 -2.101 . . . . 0.0 111.411 -178.406 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.3 m -70.29 -11.98 61.27 Favored 'General case' 0 CA--C 1.514 -0.435 0 C-N-CA 126.221 1.809 . . . . 0.0 113.07 175.035 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.57 -49.33 1.12 Allowed Glycine 0 C--N 1.351 1.39 0 O-C-N 121.33 -0.856 . . . . 0.0 111.37 161.702 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.7 tt -65.1 -47.08 78.47 Favored 'General case' 0 C--N 1.349 0.547 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 -172.343 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -86.93 -22.87 25.37 Favored 'General case' 0 C--N 1.348 0.503 0 O-C-N 119.786 -1.821 . . . . 0.0 111.252 -179.267 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 35.4 m -63.96 -42.56 97.24 Favored 'General case' 0 CA--C 1.512 -0.514 0 C-N-CA 124.105 0.962 . . . . 0.0 111.924 168.641 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.09 -46.84 79.46 Favored 'General case' 0 N--CA 1.448 -0.56 0 O-C-N 120.28 -1.513 . . . . 0.0 113.366 169.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 26.6 tp -66.55 -45.39 79.54 Favored 'General case' 0 C--N 1.351 0.639 0 N-CA-C 115.721 1.749 . . . . 0.0 115.721 -177.591 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.2 tptp -83.12 -50.43 8.49 Favored 'General case' 0 CA--C 1.508 -0.665 0 O-C-N 119.947 -1.721 . . . . 0.0 111.044 173.252 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -78.82 -73.25 1.12 Allowed Glycine 0 CA--C 1.488 -1.609 0 O-C-N 121.306 -0.871 . . . . 0.0 111.625 -165.028 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.05 -43.77 91.73 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 -174.402 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.2 -49.01 71.41 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 115.636 1.717 . . . . 0.0 115.636 177.4 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.0 tptt -74.7 -40.4 61.38 Favored 'General case' 0 C--N 1.355 0.829 0 O-C-N 120.008 -1.682 . . . . 0.0 113.41 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.38 -37.23 84.8 Favored 'General case' 0 C--N 1.345 0.387 0 O-C-N 120.666 -1.271 . . . . 0.0 112.171 179.22 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 51.0 tp -63.7 -43.84 95.43 Favored 'General case' 0 C--N 1.354 0.801 0 O-C-N 119.924 -1.735 . . . . 0.0 112.759 166.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.3 37.15 0.72 Allowed 'General case' 0 N--CA 1.446 -0.66 0 O-C-N 119.992 -1.693 . . . . 0.0 112.994 176.145 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.2 m -59.47 -53.34 59.29 Favored 'General case' 0 C--N 1.356 0.856 0 O-C-N 120.623 -1.298 . . . . 0.0 112.683 -175.247 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.8 m -75.99 -46.08 31.39 Favored 'General case' 0 CA--C 1.513 -0.456 0 C-N-CA 123.766 0.826 . . . . 0.0 112.521 173.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -67.84 -42.66 81.06 Favored 'General case' 0 C--N 1.348 0.524 0 N-CA-C 115.978 1.844 . . . . 0.0 115.978 -163.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -109.73 71.03 0.75 Allowed 'General case' 0 C--N 1.346 0.45 0 N-CA-C 105.987 -1.857 . . . . 0.0 105.987 173.382 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 9.6 m80 . . . . . 0 C--N 1.346 0.444 0 C-N-CA 130.225 3.41 . . . . 0.0 117.091 -161.874 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.032 0 N-CA-C 110.375 -1.09 . . . . 0.0 110.375 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.0 tt -58.34 -35.01 51.83 Favored 'Isoleucine or valine' 0 C--N 1.346 0.424 0 C-N-CA 125.943 1.697 . . . . 0.0 113.647 -174.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.46 -31.65 67.06 Favored Glycine 0 C--N 1.353 1.525 0 O-C-N 120.79 -1.194 . . . . 0.0 114.556 175.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.33 -4.78 89.18 Favored Glycine 0 C--N 1.35 1.358 0 O-C-N 121.663 -0.904 . . . . 0.0 113.349 177.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.9 tttp -98.79 -56.36 2.46 Favored 'General case' 0 N--CA 1.444 -0.744 0 O-C-N 121.154 -1.204 . . . . 0.0 109.705 168.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 28.2 pt -69.99 -41.43 79.36 Favored 'Isoleucine or valine' 0 C--N 1.351 0.666 0 N-CA-C 115.388 1.625 . . . . 0.0 115.388 -174.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 86.6 mt -78.48 -21.53 48.84 Favored 'General case' 0 C--N 1.354 0.768 0 O-C-N 119.538 -1.976 . . . . 0.0 111.739 -177.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.3 m -71.69 -15.76 62.22 Favored 'General case' 0 CA--C 1.513 -0.445 0 C-N-CA 125.007 1.323 . . . . 0.0 112.132 175.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.15 -65.2 1.22 Allowed Glycine 0 C--N 1.348 1.244 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 160.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -61.73 -48.2 81.81 Favored 'General case' 0 C--N 1.348 0.506 0 N-CA-C 116.191 1.923 . . . . 0.0 116.191 -167.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.8 mmtm -72.99 -38.1 66.75 Favored 'General case' 0 C--N 1.351 0.643 0 O-C-N 119.551 -1.968 . . . . 0.0 111.753 178.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.7 m -59.88 -43.73 94.59 Favored 'General case' 0 CA--C 1.51 -0.571 0 C-N-CA 124.556 1.143 . . . . 0.0 112.433 175.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.95 -47.64 79.63 Favored 'General case' 0 N--CA 1.448 -0.537 0 O-C-N 120.167 -1.583 . . . . 0.0 113.231 171.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.2 tp -63.22 -41.5 99.13 Favored 'General case' 0 C--N 1.349 0.558 0 N-CA-C 115.56 1.689 . . . . 0.0 115.56 -176.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -150.1 20.47 0.87 Allowed 'General case' 0 C--N 1.346 0.426 0 O-C-N 119.823 -1.798 . . . . 0.0 113.172 -172.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -103.63 -76.78 1.14 Allowed Glycine 0 C--N 1.346 1.138 0 N-CA-C 107.58 -2.208 . . . . 0.0 107.58 160.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.02 -41.45 87.79 Favored 'General case' 0 N--CA 1.451 -0.412 0 O-C-N 120.817 -1.402 . . . . 0.0 112.974 178.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.91 17.73 6.45 Favored 'General case' 0 N--CA 1.447 -0.587 0 O-C-N 120.733 -1.229 . . . . 0.0 112.835 173.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.1 -52.96 4.57 Favored 'General case' 0 C--N 1.353 0.76 0 O-C-N 119.93 -1.731 . . . . 0.0 107.232 150.462 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -61.78 -43.56 98.61 Favored 'General case' 0 C--N 1.35 0.605 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 -175.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.8 tt -61.15 -34.42 74.98 Favored 'General case' 0 C--N 1.348 0.52 0 O-C-N 120.64 -1.287 . . . . 0.0 113.137 174.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.95 4.64 49.44 Favored 'General case' 0 N--CA 1.443 -0.806 0 O-C-N 120.67 -1.269 . . . . 0.0 112.187 -177.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 t -65.03 -41.86 94.87 Favored 'General case' 0 CA--C 1.507 -0.675 0 N-CA-C 114.785 1.402 . . . . 0.0 114.785 -162.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.0 m -62.88 -44.12 96.97 Favored 'General case' 0 CA--C 1.515 -0.369 0 O-C-N 120.862 -1.149 . . . . 0.0 112.299 175.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -69.86 -41.9 74.24 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.417 1.487 . . . . 0.0 114.386 -177.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.3 mp -99.92 -10.8 21.28 Favored 'General case' 0 C--N 1.348 0.539 0 O-C-N 121.017 -1.052 . . . . 0.0 111.873 -174.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 43.0 m170 . . . . . 0 CA--C 1.511 -0.53 0 O-C-N 121.05 -1.031 . . . . 0.0 108.821 177.463 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.498 -1.002 0 N-CA-C 110.418 -1.073 . . . . 0.0 110.418 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -59.88 -27.78 39.21 Favored 'Isoleucine or valine' 0 C--N 1.344 0.363 0 C-N-CA 126.256 1.822 . . . . 0.0 113.82 -175.645 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.93 -30.67 63.62 Favored Glycine 0 C--N 1.353 1.485 0 C-N-CA 124.983 1.278 . . . . 0.0 114.242 173.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.33 -4.46 86.9 Favored Glycine 0 C--N 1.351 1.372 0 CA-C-N 118.092 0.946 . . . . 0.0 113.51 177.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -99.73 -56.28 2.43 Favored 'General case' 0 N--CA 1.445 -0.688 0 O-C-N 121.161 -1.199 . . . . 0.0 109.879 167.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 35.9 pt -68.99 -41.58 81.83 Favored 'Isoleucine or valine' 0 C--N 1.351 0.673 0 N-CA-C 115.553 1.686 . . . . 0.0 115.553 -175.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 88.0 mt -77.9 -19.68 54.29 Favored 'General case' 0 C--N 1.353 0.726 0 O-C-N 119.41 -2.056 . . . . 0.0 111.62 -177.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.2 m -72.25 -14.14 61.7 Favored 'General case' 0 CA--C 1.512 -0.505 0 C-N-CA 125.264 1.425 . . . . 0.0 112.535 176.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.68 -47.78 1.6 Allowed Glycine 0 C--N 1.351 1.385 0 O-C-N 121.364 -0.835 . . . . 0.0 111.948 161.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -67.04 -48.56 67.97 Favored 'General case' 0 C--N 1.35 0.592 0 N-CA-C 115.453 1.649 . . . . 0.0 115.453 -172.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.4 mmtm -74.22 -36.86 63.96 Favored 'General case' 0 C--N 1.35 0.622 0 O-C-N 119.623 -1.923 . . . . 0.0 111.344 177.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.6 m -59.81 -43.54 94.44 Favored 'General case' 0 CA--C 1.511 -0.541 0 C-N-CA 124.719 1.208 . . . . 0.0 112.709 175.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.42 -47.6 78.53 Favored 'General case' 0 C--N 1.348 0.521 0 O-C-N 120.005 -1.684 . . . . 0.0 113.239 170.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 42.0 tp -63.12 -40.92 99.01 Favored 'General case' 0 C--N 1.349 0.586 0 N-CA-C 115.625 1.713 . . . . 0.0 115.625 -176.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -150.12 20.18 0.87 Allowed 'General case' 0 N--CA 1.451 -0.412 0 O-C-N 119.76 -1.837 . . . . 0.0 112.929 -172.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -103.79 -76.78 1.14 Allowed Glycine 0 C--N 1.347 1.187 0 N-CA-C 107.541 -2.224 . . . . 0.0 107.541 160.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.51 -41.56 85.71 Favored 'General case' 0 N--CA 1.45 -0.44 0 O-C-N 120.558 -1.554 . . . . 0.0 112.925 178.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.85 17.59 6.54 Favored 'General case' 0 N--CA 1.446 -0.656 0 O-C-N 120.61 -1.306 . . . . 0.0 112.955 173.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -96.22 -40.2 9.29 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 119.862 -1.774 . . . . 0.0 109.322 152.28 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -68.91 -44.48 73.07 Favored 'General case' 0 C--N 1.348 0.523 0 O-C-N 120.752 -1.218 . . . . 0.0 113.846 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 45.5 tp -61.72 -32.09 72.29 Favored 'General case' 0 C--N 1.347 0.499 0 O-C-N 120.674 -1.266 . . . . 0.0 112.942 174.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.08 3.11 53.59 Favored 'General case' 0 N--CA 1.442 -0.833 0 O-C-N 120.709 -1.244 . . . . 0.0 112.519 -178.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 t -63.13 -37.66 88.09 Favored 'General case' 0 C--N 1.351 0.669 0 N-CA-C 114.955 1.465 . . . . 0.0 114.955 -164.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.2 m -93.51 3.21 55.91 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-O 121.898 0.856 . . . . 0.0 110.838 -175.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -124.26 -37.48 2.54 Favored 'General case' 0 C--N 1.348 0.532 0 O-C-N 120.759 -1.213 . . . . 0.0 111.198 -170.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -109.69 -0.31 18.62 Favored 'General case' 0 C--N 1.348 0.508 0 O-C-N 121.333 -0.854 . . . . 0.0 109.759 177.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 60.7 m-70 . . . . . 0 C--N 1.349 0.549 0 N-CA-C 115.966 1.839 . . . . 0.0 115.966 171.429 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.069 0 N-CA-C 110.433 -1.067 . . . . 0.0 110.433 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -59.79 -27.83 39.09 Favored 'Isoleucine or valine' 0 C--N 1.344 0.364 0 C-N-CA 126.262 1.825 . . . . 0.0 113.854 -175.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.99 -30.59 63.72 Favored Glycine 0 C--N 1.353 1.498 0 C-N-CA 124.941 1.258 . . . . 0.0 114.294 173.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.45 -4.51 87.27 Favored Glycine 0 C--N 1.351 1.383 0 CA-C-N 118.052 0.926 . . . . 0.0 113.512 177.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -99.55 -56.43 2.4 Favored 'General case' 0 N--CA 1.446 -0.649 0 O-C-N 121.157 -1.202 . . . . 0.0 109.8 167.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 36.0 pt -68.86 -41.55 82.17 Favored 'Isoleucine or valine' 0 C--N 1.352 0.694 0 N-CA-C 115.54 1.681 . . . . 0.0 115.54 -175.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 90.7 mt -78.25 -19.19 54.23 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 119.397 -2.064 . . . . 0.0 111.695 -177.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.0 m -72.44 -14.5 61.7 Favored 'General case' 0 CA--C 1.512 -0.496 0 C-N-CA 125.123 1.369 . . . . 0.0 112.537 176.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.5 -47.48 1.66 Allowed Glycine 0 C--N 1.351 1.385 0 O-C-N 121.337 -0.852 . . . . 0.0 111.921 161.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -66.78 -48.7 68.2 Favored 'General case' 0 C--N 1.351 0.645 0 N-CA-C 115.342 1.608 . . . . 0.0 115.342 -172.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.7 mmtm -72.93 -37.74 67.08 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 119.661 -1.899 . . . . 0.0 111.469 177.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.3 m -59.82 -43.51 94.51 Favored 'General case' 0 CA--C 1.512 -0.504 0 C-N-CA 124.911 1.284 . . . . 0.0 112.737 176.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.34 -48.45 72.97 Favored 'General case' 0 N--CA 1.449 -0.521 0 O-C-N 120.061 -1.649 . . . . 0.0 113.304 170.086 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.9 tp -63.53 -40.39 96.91 Favored 'General case' 0 C--N 1.35 0.598 0 N-CA-C 115.681 1.734 . . . . 0.0 115.681 -175.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -149.8 20.56 0.9 Allowed 'General case' 0 N--CA 1.449 -0.501 0 O-C-N 119.827 -1.795 . . . . 0.0 112.357 -172.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -103.25 -78.18 1.26 Allowed Glycine 0 C--N 1.347 1.181 0 N-CA-C 107.529 -2.228 . . . . 0.0 107.529 160.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.24 -42.47 91.18 Favored 'General case' 0 C--N 1.345 0.406 0 O-C-N 120.665 -1.491 . . . . 0.0 113.051 178.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.78 17.1 6.95 Favored 'General case' 0 N--CA 1.446 -0.659 0 O-C-N 120.74 -1.225 . . . . 0.0 112.482 173.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.8 tttm -90.65 -54.6 3.91 Favored 'General case' 0 C--N 1.354 0.761 0 O-C-N 119.872 -1.768 . . . . 0.0 107.642 150.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -60.47 -42.46 96.27 Favored 'General case' 0 C--N 1.351 0.645 0 N-CA-C 114.511 1.3 . . . . 0.0 114.511 -173.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.51 -17.39 62.34 Favored 'General case' 0 C--N 1.348 0.535 0 O-C-N 120.79 -1.193 . . . . 0.0 112.179 177.159 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -100.17 -9.23 22.72 Favored 'General case' 0 N--CA 1.445 -0.72 0 O-C-N 119.983 -1.698 . . . . 0.0 112.156 177.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.6 m -74.89 -15.3 60.71 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 120.198 -1.564 . . . . 0.0 112.815 -173.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.5 m -61.65 -36.52 81.04 Favored 'General case' 0 C--N 1.342 0.253 0 O-C-N 121.023 -1.048 . . . . 0.0 112.673 166.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -112.26 -33.92 6.07 Favored 'General case' 0 C--N 1.349 0.573 0 O-C-N 121.145 -0.972 . . . . 0.0 112.298 -168.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.1 mp -108.19 2.12 22.62 Favored 'General case' 0 C--N 1.348 0.505 0 C-N-CA 124.64 1.176 . . . . 0.0 110.333 -177.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 . . . . . 0 C--O 1.24 0.598 0 N-CA-C 115.572 1.693 . . . . 0.0 115.572 172.883 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.062 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -58.99 -29.12 40.44 Favored 'Isoleucine or valine' 0 C--N 1.345 0.399 0 C-N-CA 126.396 1.878 . . . . 0.0 113.98 -175.252 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.24 -31.68 66.29 Favored Glycine 0 C--N 1.353 1.503 0 C-N-CA 124.495 1.045 . . . . 0.0 114.389 173.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.23 -5.29 89.14 Favored Glycine 0 C--N 1.351 1.39 0 O-C-N 121.469 -1.018 . . . . 0.0 113.265 176.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.8 tmtm? -95.95 -54.53 3.29 Favored 'General case' 0 N--CA 1.445 -0.697 0 O-C-N 121.019 -1.283 . . . . 0.0 109.369 169.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 34.9 pt -73.24 -42.27 58.0 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 N-CA-C 115.515 1.672 . . . . 0.0 115.515 -175.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.0 mt -76.86 -20.2 56.59 Favored 'General case' 0 C--N 1.354 0.78 0 O-C-N 119.255 -2.153 . . . . 0.0 111.729 -175.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 42.8 m -71.34 -13.79 61.98 Favored 'General case' 0 CA--C 1.513 -0.472 0 C-N-CA 125.543 1.537 . . . . 0.0 112.65 175.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.36 -47.59 1.53 Allowed Glycine 0 C--N 1.352 1.439 0 O-C-N 121.276 -0.89 . . . . 0.0 111.898 161.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -66.93 -48.83 67.42 Favored 'General case' 0 C--N 1.35 0.597 0 N-CA-C 115.425 1.639 . . . . 0.0 115.425 -172.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.6 mmtm -72.99 -37.79 66.87 Favored 'General case' 0 C--N 1.351 0.639 0 O-C-N 119.666 -1.896 . . . . 0.0 111.302 177.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.1 m -59.63 -43.75 93.71 Favored 'General case' 0 CA--C 1.511 -0.543 0 C-N-CA 124.861 1.264 . . . . 0.0 112.752 176.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.81 -47.87 76.48 Favored 'General case' 0 N--CA 1.45 -0.466 0 O-C-N 120.092 -1.63 . . . . 0.0 113.228 170.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.0 tp -63.22 -41.46 99.13 Favored 'General case' 0 C--N 1.349 0.557 0 N-CA-C 115.567 1.692 . . . . 0.0 115.567 -175.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -150.31 21.41 0.84 Allowed 'General case' 0 N--CA 1.45 -0.452 0 O-C-N 119.796 -1.815 . . . . 0.0 112.784 -172.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -104.14 -77.14 1.15 Allowed Glycine 0 C--N 1.347 1.176 0 N-CA-C 107.623 -2.191 . . . . 0.0 107.623 160.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.96 -41.64 87.96 Favored 'General case' 0 N--CA 1.45 -0.448 0 O-C-N 120.713 -1.463 . . . . 0.0 113.009 178.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.8 17.72 6.34 Favored 'General case' 0 N--CA 1.447 -0.617 0 O-C-N 120.7 -1.25 . . . . 0.0 112.757 173.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.35 -52.15 4.94 Favored 'General case' 0 C--N 1.353 0.721 0 O-C-N 119.93 -1.731 . . . . 0.0 107.485 150.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -62.43 -44.99 95.1 Favored 'General case' 0 C--N 1.35 0.617 0 N-CA-C 114.926 1.454 . . . . 0.0 114.926 -175.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.1 tt -61.48 -35.31 77.3 Favored 'General case' 0 C--N 1.348 0.533 0 O-C-N 120.891 -1.131 . . . . 0.0 113.088 176.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -98.46 3.64 48.31 Favored 'General case' 0 N--CA 1.442 -0.825 0 O-C-N 120.836 -1.165 . . . . 0.0 112.324 -176.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.3 t -62.73 -36.41 82.94 Favored 'General case' 0 C--N 1.351 0.647 0 N-CA-C 114.992 1.479 . . . . 0.0 114.992 -161.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.0 m -61.94 -40.46 95.61 Favored 'General case' 0 C--N 1.343 0.312 0 C-N-CA 125.251 1.42 . . . . 0.0 113.123 174.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -97.88 -13.45 21.24 Favored 'General case' 0 C--N 1.345 0.404 0 O-C-N 121.09 -1.006 . . . . 0.0 111.669 -166.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -115.74 31.57 6.63 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 125.906 1.683 . . . . 0.0 107.425 177.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 . . . . . 0 C--N 1.347 0.487 0 CA-C-O 122.212 1.006 . . . . 0.0 112.428 179.963 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.062 0 N-CA-C 110.325 -1.11 . . . . 0.0 110.325 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -64.34 -21.68 29.56 Favored 'Isoleucine or valine' 0 C--N 1.345 0.381 0 C-N-CA 125.539 1.536 . . . . 0.0 113.619 -174.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.31 -30.81 65.03 Favored Glycine 0 C--N 1.353 1.473 0 C-N-CA 124.98 1.276 . . . . 0.0 113.89 172.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.98 -4.21 85.59 Favored Glycine 0 C--N 1.35 1.346 0 O-C-N 121.65 -0.912 . . . . 0.0 113.499 177.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -100.63 -56.67 2.28 Favored 'General case' 0 N--CA 1.446 -0.636 0 O-C-N 121.146 -1.208 . . . . 0.0 109.871 167.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 33.4 pt -68.55 -40.94 82.66 Favored 'Isoleucine or valine' 0 C--N 1.352 0.704 0 N-CA-C 115.585 1.698 . . . . 0.0 115.585 -174.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 78.9 mt -79.02 -21.02 47.56 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 119.584 -1.948 . . . . 0.0 111.558 -178.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 43.0 m -72.0 -14.29 61.85 Favored 'General case' 0 CA--C 1.513 -0.45 0 C-N-CA 125.354 1.462 . . . . 0.0 112.28 175.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -93.6 -68.83 1.09 Allowed Glycine 0 C--N 1.347 1.183 0 N-CA-C 110.208 -1.157 . . . . 0.0 110.208 160.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -60.97 -45.02 96.44 Favored 'General case' 0 C--N 1.347 0.457 0 N-CA-C 115.79 1.774 . . . . 0.0 115.79 -167.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.6 mmtm -89.27 -18.39 27.1 Favored 'General case' 0 C--N 1.347 0.479 0 O-C-N 119.428 -2.045 . . . . 0.0 111.877 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 91.6 m -64.08 -45.13 90.05 Favored 'General case' 0 CA--C 1.512 -0.518 0 O-C-N 120.67 -1.269 . . . . 0.0 111.15 165.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.3 -48.64 72.44 Favored 'General case' 0 C--N 1.349 0.546 0 O-C-N 120.954 -1.091 . . . . 0.0 113.801 172.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 26.1 tp -77.01 -17.46 58.82 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 120.819 -1.175 . . . . 0.0 114.019 -173.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -118.03 -70.6 0.78 Allowed 'General case' 0 CA--C 1.507 -0.701 0 O-C-N 119.922 -1.736 . . . . 0.0 112.211 176.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -54.13 -61.09 7.52 Favored Glycine 0 C--N 1.35 1.342 0 CA-C-N 119.572 1.078 . . . . 0.0 115.72 -178.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.47 -40.91 98.2 Favored 'General case' 0 C--N 1.347 0.458 0 O-C-N 121.182 -1.187 . . . . 0.0 112.687 -179.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.65 -46.87 63.89 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 125.38 1.472 . . . . 0.0 114.287 167.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -46.76 86.62 Favored 'General case' 0 C--N 1.354 0.782 0 O-C-N 120.03 -1.669 . . . . 0.0 112.394 174.169 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -65.71 -35.75 81.63 Favored 'General case' 0 C--N 1.344 0.355 0 O-C-N 120.528 -1.357 . . . . 0.0 113.789 -177.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.21 -5.65 59.15 Favored 'General case' 0 N--CA 1.45 -0.444 0 O-C-N 120.929 -1.107 . . . . 0.0 112.807 179.206 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -136.73 9.29 3.09 Favored 'General case' 0 C--N 1.353 0.749 0 O-C-N 119.822 -1.799 . . . . 0.0 115.228 -176.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 p -70.09 -24.84 63.29 Favored 'General case' 0 C--N 1.351 0.659 0 O-C-N 119.535 -1.978 . . . . 0.0 112.047 168.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.0 m -59.44 -32.81 70.56 Favored 'General case' 0 CA--C 1.517 -0.302 0 C-N-CA 126.008 1.723 . . . . 0.0 112.908 171.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -112.36 -39.01 4.52 Favored 'General case' 0 C--N 1.349 0.545 0 O-C-N 121.468 -0.77 . . . . 0.0 112.052 -169.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -103.19 -1.8 28.35 Favored 'General case' 0 C--N 1.349 0.582 0 O-C-N 120.601 -1.312 . . . . 0.0 111.822 -176.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 30.4 m170 . . . . . 0 CA--C 1.51 -0.583 0 O-C-N 120.43 -1.419 . . . . 0.0 110.327 176.815 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.05 0 N-CA-C 110.315 -1.114 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.5 tt -59.17 -37.38 68.17 Favored 'Isoleucine or valine' 0 C--N 1.346 0.44 0 C-N-CA 125.332 1.453 . . . . 0.0 113.456 -176.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.61 -29.99 61.75 Favored Glycine 0 C--N 1.355 1.625 0 C-N-CA 125.227 1.394 . . . . 0.0 114.032 175.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.34 -1.27 74.81 Favored Glycine 0 C--N 1.348 1.228 0 C-N-CA 125.009 1.29 . . . . 0.0 114.153 -178.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.36 -29.62 2.69 Favored 'General case' 0 C--N 1.346 0.447 0 O-C-N 121.193 -1.181 . . . . 0.0 112.516 168.202 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 29.4 pt -72.35 -42.84 65.24 Favored 'Isoleucine or valine' 0 C--N 1.356 0.873 0 O-C-N 119.505 -1.997 . . . . 0.0 113.785 173.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 84.9 mt -77.52 -22.98 50.32 Favored 'General case' 0 C--N 1.354 0.795 0 O-C-N 119.658 -1.902 . . . . 0.0 111.492 -178.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.0 m -71.4 -14.53 62.2 Favored 'General case' 0 CA--C 1.51 -0.56 0 C-N-CA 125.807 1.643 . . . . 0.0 113.168 178.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.71 -49.3 1.29 Allowed Glycine 0 C--N 1.35 1.349 0 O-C-N 121.354 -0.841 . . . . 0.0 111.587 160.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -66.0 -45.26 82.21 Favored 'General case' 0 C--N 1.349 0.563 0 N-CA-C 115.435 1.643 . . . . 0.0 115.435 -170.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.8 mmtm -91.58 -20.1 22.03 Favored 'General case' 0 C--N 1.347 0.461 0 O-C-N 119.491 -2.005 . . . . 0.0 111.294 -179.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 51.9 m -63.81 -45.3 90.25 Favored 'General case' 0 CA--C 1.51 -0.568 0 O-C-N 121.257 -0.902 . . . . 0.0 111.604 167.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.29 -47.07 77.92 Favored 'General case' 0 C--N 1.349 0.581 0 O-C-N 120.878 -1.139 . . . . 0.0 113.592 172.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 24.6 tp -71.92 -26.17 62.2 Favored 'General case' 0 C--N 1.35 0.596 0 N-CA-C 114.746 1.388 . . . . 0.0 114.746 -174.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.21 -70.52 0.79 Allowed 'General case' 0 CA--C 1.51 -0.596 0 O-C-N 120.331 -1.481 . . . . 0.0 111.925 177.394 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -50.77 -58.97 8.47 Favored Glycine 0 C--N 1.351 1.387 0 N-CA-C 116.492 1.357 . . . . 0.0 116.492 -175.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.17 -40.47 97.62 Favored 'General case' 0 C--N 1.345 0.396 0 O-C-N 121.028 -1.278 . . . . 0.0 112.797 178.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.57 -39.45 88.05 Favored 'General case' 0 N--CA 1.446 -0.673 0 N-CA-C 113.949 1.092 . . . . 0.0 113.949 173.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.37 -44.29 95.2 Favored 'General case' 0 C--N 1.354 0.776 0 O-C-N 120.318 -1.489 . . . . 0.0 111.967 173.72 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -69.43 -43.24 73.76 Favored 'General case' 0 C--N 1.345 0.38 0 O-C-N 120.758 -1.214 . . . . 0.0 113.004 179.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.2 tt -62.24 -43.02 99.77 Favored 'General case' 0 C--N 1.348 0.532 0 O-C-N 120.941 -1.099 . . . . 0.0 113.517 175.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.51 13.85 28.51 Favored 'General case' 0 N--CA 1.445 -0.69 0 O-C-N 120.405 -1.434 . . . . 0.0 112.559 -176.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.7 t -60.13 -39.57 86.72 Favored 'General case' 0 C--N 1.352 0.685 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 -167.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.4 m -75.06 -18.34 60.32 Favored 'General case' 0 C--N 1.341 0.226 0 C-N-CA 124.061 0.944 . . . . 0.0 112.544 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -112.51 -39.15 4.44 Favored 'General case' 0 C--N 1.346 0.415 0 O-C-N 120.967 -1.083 . . . . 0.0 112.431 -164.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -110.0 15.43 22.55 Favored 'General case' 0 C--N 1.346 0.44 0 O-C-N 120.896 -1.128 . . . . 0.0 110.934 -172.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 84.6 t60 . . . . . 0 C--N 1.346 0.454 0 O-C-N 120.219 -1.551 . . . . 0.0 111.198 175.288 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.498 -1.009 0 N-CA-C 110.345 -1.102 . . . . 0.0 110.345 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.4 tt -57.94 -38.57 67.27 Favored 'Isoleucine or valine' 0 C--N 1.346 0.436 0 C-N-CA 125.744 1.618 . . . . 0.0 113.298 -174.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -46.48 -44.25 15.93 Favored Glycine 0 C--N 1.354 1.573 0 C-N-CA 126.203 1.859 . . . . 0.0 114.74 172.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.6 -4.65 85.21 Favored Glycine 0 C--N 1.347 1.186 0 O-C-N 121.747 -0.854 . . . . 0.0 114.56 -176.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.78 -5.69 10.15 Favored 'General case' 0 N--CA 1.45 -0.457 0 O-C-N 120.828 -1.395 . . . . 0.0 113.239 170.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 32.4 pt -90.11 -52.22 10.9 Favored 'Isoleucine or valine' 0 C--N 1.354 0.763 0 O-C-N 120.397 -1.439 . . . . 0.0 113.006 162.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 96.6 mt -66.66 -32.71 74.2 Favored 'General case' 0 C--N 1.355 0.81 0 O-C-N 120.2 -1.563 . . . . 0.0 113.009 -170.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.8 m -63.54 -15.58 58.37 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 126.56 1.944 . . . . 0.0 114.375 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.61 -49.21 0.98 Allowed Glycine 0 C--N 1.352 1.465 0 O-C-N 121.333 -0.854 . . . . 0.0 111.763 158.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -63.09 -32.87 74.34 Favored 'General case' 0 C--N 1.348 0.517 0 C-N-CA 126.142 1.777 . . . . 0.0 115.591 -167.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.7 mmtm -114.86 -14.89 11.9 Favored 'General case' 0 C--N 1.346 0.418 0 O-C-N 119.27 -2.144 . . . . 0.0 113.181 173.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 60.6 m -61.88 -42.14 98.7 Favored 'General case' 0 CA--C 1.51 -0.57 0 O-C-N 120.576 -1.328 . . . . 0.0 111.634 167.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.05 -19.39 65.67 Favored 'General case' 0 C--N 1.35 0.602 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 178.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.8 tp -112.29 -8.15 13.96 Favored 'General case' 0 C--N 1.35 0.608 0 O-C-N 120.74 -1.225 . . . . 0.0 111.737 -173.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.1 tptm -118.41 -70.83 0.77 Allowed 'General case' 0 C--N 1.348 0.51 0 O-C-N 120.109 -1.62 . . . . 0.0 110.879 172.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.76 -61.52 7.36 Favored Glycine 0 C--N 1.355 1.609 0 C-N-CA 123.77 0.7 . . . . 0.0 114.312 -178.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.35 -36.62 84.31 Favored 'General case' 0 C--N 1.347 0.489 0 CA-C-O 122.336 1.065 . . . . 0.0 112.623 -178.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.56 -44.71 96.53 Favored 'General case' 0 N--CA 1.446 -0.66 0 O-C-N 120.435 -1.416 . . . . 0.0 114.073 176.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.71 -17.45 41.29 Favored 'General case' 0 C--N 1.353 0.721 0 O-C-N 120.191 -1.568 . . . . 0.0 112.396 176.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -70.39 -50.47 38.37 Favored 'General case' 0 N--CA 1.452 -0.341 0 O-C-N 120.329 -1.482 . . . . 0.0 112.191 169.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.1 tt -68.39 -45.74 71.87 Favored 'General case' 0 C--N 1.349 0.553 0 O-C-N 120.792 -1.192 . . . . 0.0 113.255 176.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.65 28.26 3.49 Favored 'General case' 0 N--CA 1.448 -0.571 0 O-C-N 119.988 -1.695 . . . . 0.0 111.49 -175.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.3 t -58.03 -45.9 86.21 Favored 'General case' 0 C--N 1.35 0.605 0 N-CA-C 115.779 1.77 . . . . 0.0 115.779 -165.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.6 m -65.21 -43.49 91.36 Favored 'General case' 0 CA--C 1.514 -0.436 0 C-N-CA 125.234 1.414 . . . . 0.0 112.888 176.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -69.54 -40.68 76.72 Favored 'General case' 0 C--N 1.344 0.363 0 C-N-CA 124.529 1.131 . . . . 0.0 113.452 -176.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.4 mp -98.11 8.47 44.74 Favored 'General case' 0 C--N 1.345 0.408 0 O-C-N 121.331 -0.855 . . . . 0.0 111.406 -175.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 . . . . . 0 C--N 1.35 0.623 0 N-CA-C 116.597 2.073 . . . . 0.0 116.597 172.542 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.498 -1.018 0 N-CA-C 110.375 -1.09 . . . . 0.0 110.375 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.1 tt -58.56 -36.26 58.75 Favored 'Isoleucine or valine' 0 C--N 1.346 0.42 0 C-N-CA 125.784 1.634 . . . . 0.0 113.642 -174.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -59.42 -31.47 70.29 Favored Glycine 0 C--N 1.353 1.511 0 O-C-N 120.718 -1.239 . . . . 0.0 114.3 175.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.63 -4.58 89.35 Favored Glycine 0 C--N 1.35 1.312 0 O-C-N 121.697 -0.884 . . . . 0.0 113.35 177.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -98.05 -55.7 2.7 Favored 'General case' 0 N--CA 1.445 -0.696 0 O-C-N 121.102 -1.234 . . . . 0.0 109.725 168.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 28.6 pt -70.75 -42.18 77.59 Favored 'Isoleucine or valine' 0 C--N 1.351 0.66 0 N-CA-C 115.384 1.624 . . . . 0.0 115.384 -174.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 87.9 mt -77.4 -20.63 54.37 Favored 'General case' 0 C--N 1.354 0.785 0 O-C-N 119.345 -2.097 . . . . 0.0 111.659 -176.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.4 m -71.91 -14.3 61.89 Favored 'General case' 0 CA--C 1.512 -0.503 0 C-N-CA 125.421 1.488 . . . . 0.0 112.671 176.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.97 -47.87 1.54 Allowed Glycine 0 C--N 1.35 1.361 0 O-C-N 121.324 -0.86 . . . . 0.0 111.908 161.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -66.86 -48.7 68.01 Favored 'General case' 0 C--N 1.35 0.599 0 N-CA-C 115.388 1.625 . . . . 0.0 115.388 -171.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm -74.68 -36.79 62.78 Favored 'General case' 0 C--N 1.35 0.592 0 O-C-N 119.673 -1.892 . . . . 0.0 111.396 177.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.8 m -59.85 -43.55 94.59 Favored 'General case' 0 CA--C 1.511 -0.555 0 C-N-CA 124.701 1.201 . . . . 0.0 112.709 175.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.79 -48.28 75.03 Favored 'General case' 0 C--N 1.347 0.487 0 O-C-N 120.08 -1.638 . . . . 0.0 113.191 170.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 46.2 tp -62.91 -41.81 99.57 Favored 'General case' 0 C--N 1.349 0.571 0 N-CA-C 115.517 1.673 . . . . 0.0 115.517 -175.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -146.3 17.69 1.36 Allowed 'General case' 0 N--CA 1.45 -0.467 0 O-C-N 120.008 -1.682 . . . . 0.0 113.862 -174.097 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -100.81 -78.82 1.38 Allowed Glycine 0 C--N 1.346 1.1 0 N-CA-C 107.344 -2.302 . . . . 0.0 107.344 159.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.76 -41.84 87.48 Favored 'General case' 0 N--CA 1.451 -0.421 0 O-C-N 120.989 -1.301 . . . . 0.0 113.595 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.15 12.96 16.34 Favored 'General case' 0 N--CA 1.447 -0.582 0 O-C-N 120.456 -1.403 . . . . 0.0 112.505 174.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.66 -50.4 6.28 Favored 'General case' 0 C--N 1.353 0.757 0 O-C-N 119.546 -1.971 . . . . 0.0 107.849 150.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -59.83 -44.77 93.89 Favored 'General case' 0 C--N 1.355 0.826 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 -176.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 43.6 tp -60.89 -32.7 72.14 Favored 'General case' 0 C--N 1.347 0.485 0 O-C-N 120.853 -1.155 . . . . 0.0 113.603 175.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -98.46 2.08 47.36 Favored 'General case' 0 N--CA 1.445 -0.723 0 O-C-N 120.667 -1.271 . . . . 0.0 112.125 -177.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 t -65.02 -33.91 77.16 Favored 'General case' 0 CA--C 1.509 -0.633 0 N-CA-C 114.835 1.42 . . . . 0.0 114.835 -162.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.3 m -94.54 2.47 55.68 Favored 'General case' 0 C--N 1.342 0.271 0 CA-C-O 121.873 0.844 . . . . 0.0 110.771 -176.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -124.3 -37.64 2.52 Favored 'General case' 0 C--N 1.348 0.514 0 O-C-N 120.723 -1.235 . . . . 0.0 111.201 -170.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -109.14 0.32 19.74 Favored 'General case' 0 C--N 1.347 0.48 0 C-N-CA 123.918 0.887 . . . . 0.0 109.583 177.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 62.3 m-70 . . . . . 0 C--N 1.349 0.553 0 N-CA-C 116.094 1.887 . . . . 0.0 116.094 171.514 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.498 -1.002 0 N-CA-C 110.356 -1.097 . . . . 0.0 110.356 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.1 tt -58.58 -36.48 59.87 Favored 'Isoleucine or valine' 0 C--N 1.346 0.418 0 C-N-CA 125.788 1.635 . . . . 0.0 113.728 -174.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -59.39 -31.72 70.82 Favored Glycine 0 C--N 1.353 1.514 0 O-C-N 120.737 -1.227 . . . . 0.0 114.386 175.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.75 -4.84 89.53 Favored Glycine 0 C--N 1.35 1.308 0 O-C-N 121.69 -0.888 . . . . 0.0 113.341 177.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -97.43 -54.91 2.99 Favored 'General case' 0 N--CA 1.445 -0.718 0 O-C-N 121.102 -1.234 . . . . 0.0 109.835 168.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 28.4 pt -71.49 -42.84 72.7 Favored 'Isoleucine or valine' 0 C--N 1.352 0.684 0 N-CA-C 115.434 1.642 . . . . 0.0 115.434 -174.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 87.4 mt -76.31 -20.52 57.21 Favored 'General case' 0 C--N 1.354 0.778 0 O-C-N 119.406 -2.058 . . . . 0.0 111.61 -176.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.0 m -70.89 -13.53 62.06 Favored 'General case' 0 CA--C 1.513 -0.473 0 C-N-CA 126.133 1.773 . . . . 0.0 112.928 176.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.55 -48.78 1.16 Allowed Glycine 0 C--N 1.351 1.391 0 O-C-N 121.328 -0.858 . . . . 0.0 111.92 158.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -64.33 -40.82 96.66 Favored 'General case' 0 C--N 1.349 0.557 0 N-CA-C 115.568 1.692 . . . . 0.0 115.568 -169.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.9 mmtm -101.34 -18.73 15.93 Favored 'General case' 0 C--N 1.346 0.429 0 O-C-N 119.53 -1.981 . . . . 0.0 111.789 178.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 49.9 m -63.08 -38.18 90.17 Favored 'General case' 0 CA--C 1.511 -0.527 0 C-N-CA 124.202 1.001 . . . . 0.0 112.054 166.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.11 -44.52 94.79 Favored 'General case' 0 N--CA 1.448 -0.555 0 O-C-N 119.934 -1.729 . . . . 0.0 113.323 171.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.2 tp -76.28 -50.01 15.5 Favored 'General case' 0 C--N 1.348 0.524 0 N-CA-C 115.456 1.65 . . . . 0.0 115.456 -179.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.06 3.62 22.24 Favored 'General case' 0 C--N 1.35 0.618 0 O-C-N 120.17 -1.581 . . . . 0.0 111.149 -170.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -104.59 -83.96 1.73 Allowed Glycine 0 CA--C 1.496 -1.135 0 N-CA-C 107.948 -2.061 . . . . 0.0 107.948 162.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.43 -51.79 66.14 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 116.12 1.896 . . . . 0.0 116.12 -170.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.39 -49.21 64.85 Favored 'General case' 0 C--N 1.35 0.597 0 N-CA-C 115.441 1.645 . . . . 0.0 115.441 -172.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.16 -41.03 82.14 Favored 'General case' 0 C--N 1.351 0.652 0 O-C-N 120.54 -1.35 . . . . 0.0 113.01 179.444 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -74.36 -36.98 63.61 Favored 'General case' 0 C--N 1.347 0.476 0 O-C-N 120.252 -1.53 . . . . 0.0 113.345 -178.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 47.8 tp -62.76 -39.57 94.57 Favored 'General case' 0 C--N 1.353 0.748 0 O-C-N 120.215 -1.553 . . . . 0.0 112.977 170.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.96 18.33 6.79 Favored 'General case' 0 N--CA 1.445 -0.71 0 O-C-N 120.385 -1.447 . . . . 0.0 112.607 179.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.9 t -70.88 -17.38 62.72 Favored 'General case' 0 C--N 1.352 0.687 0 O-C-N 119.988 -1.695 . . . . 0.0 114.479 -169.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.9 m -72.66 -20.08 61.32 Favored 'General case' 0 C--N 1.342 0.28 0 O-C-N 121.168 -0.958 . . . . 0.0 111.807 173.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -116.81 -36.19 3.94 Favored 'General case' 0 C--N 1.349 0.562 0 O-C-N 120.993 -1.067 . . . . 0.0 110.969 -170.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -106.48 3.36 27.12 Favored 'General case' 0 C--N 1.348 0.533 0 C-N-CA 124.024 0.929 . . . . 0.0 110.842 -177.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 . . . . . 0 C--N 1.348 0.539 0 N-CA-C 116.645 2.091 . . . . 0.0 116.645 170.582 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.498 -1.015 0 N-CA-C 110.379 -1.089 . . . . 0.0 110.379 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.5 tt -59.03 -37.53 68.37 Favored 'Isoleucine or valine' 0 C--N 1.346 0.414 0 C-N-CA 125.504 1.521 . . . . 0.0 113.492 -175.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.55 -30.13 61.75 Favored Glycine 0 C--N 1.353 1.526 0 C-N-CA 125.252 1.406 . . . . 0.0 114.099 176.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.41 -1.21 75.06 Favored Glycine 0 C--N 1.349 1.293 0 C-N-CA 124.799 1.19 . . . . 0.0 114.117 -178.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.01 -28.51 2.64 Favored 'General case' 0 N--CA 1.449 -0.491 0 O-C-N 121.009 -1.289 . . . . 0.0 112.64 168.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 30.2 pt -72.83 -43.24 60.64 Favored 'Isoleucine or valine' 0 C--N 1.356 0.871 0 O-C-N 119.534 -1.979 . . . . 0.0 113.799 172.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 86.6 mt -75.95 -21.19 57.27 Favored 'General case' 0 C--N 1.355 0.835 0 O-C-N 119.55 -1.969 . . . . 0.0 111.466 -178.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.8 m -69.69 -14.09 62.63 Favored 'General case' 0 CA--C 1.514 -0.438 0 C-N-CA 126.487 1.915 . . . . 0.0 113.206 177.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.43 -48.87 1.08 Allowed Glycine 0 C--N 1.352 1.417 0 O-C-N 121.324 -0.86 . . . . 0.0 112.016 157.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -64.12 -34.28 77.68 Favored 'General case' 0 C--N 1.348 0.538 0 N-CA-C 115.554 1.687 . . . . 0.0 115.554 -168.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.2 mmtm -109.15 -18.52 13.61 Favored 'General case' 0 C--N 1.345 0.405 0 O-C-N 118.95 -2.343 . . . . 0.0 112.802 174.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 45.8 m -61.98 -39.14 91.16 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-N 119.515 1.052 . . . . 0.0 112.087 167.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.43 -37.28 70.02 Favored 'General case' 0 C--N 1.348 0.503 0 O-C-N 120.062 -1.649 . . . . 0.0 113.339 173.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 50.1 tp -77.76 -48.2 17.19 Favored 'General case' 0 C--N 1.347 0.466 0 N-CA-C 114.651 1.352 . . . . 0.0 114.651 174.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -117.39 4.63 12.52 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 120.906 -1.121 . . . . 0.0 113.891 -164.258 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -115.4 -19.65 5.75 Favored Glycine 0 C--N 1.34 0.757 0 O-C-N 119.732 -1.855 . . . . 0.0 111.66 164.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -117.83 -75.55 0.58 Allowed 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 123.623 0.769 . . . . 0.0 111.715 -177.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.72 -45.85 90.9 Favored 'General case' 0 C--N 1.352 0.675 0 N-CA-C 117.004 2.224 . . . . 0.0 117.004 -166.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.77 -37.33 86.05 Favored 'General case' 0 C--N 1.352 0.703 0 O-C-N 120.073 -1.642 . . . . 0.0 112.797 175.336 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -69.53 -41.89 75.36 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 125.498 1.519 . . . . 0.0 112.507 178.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 50.9 tp -61.24 -40.18 93.06 Favored 'General case' 0 C--N 1.346 0.415 0 C-N-CA 125.295 1.438 . . . . 0.0 113.01 171.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.0 4.16 52.8 Favored 'General case' 0 N--CA 1.446 -0.645 0 O-C-N 120.519 -1.363 . . . . 0.0 112.768 -179.157 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 t -61.86 -37.35 84.18 Favored 'General case' 0 C--N 1.352 0.706 0 C-N-CA 124.713 1.205 . . . . 0.0 113.683 -170.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.8 m -59.83 -37.49 79.35 Favored 'General case' 0 CA--C 1.516 -0.352 0 C-N-CA 125.541 1.537 . . . . 0.0 113.002 175.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -102.84 -27.16 12.83 Favored 'General case' 0 C--N 1.346 0.44 0 O-C-N 121.374 -0.829 . . . . 0.0 112.594 -167.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.0 mp -109.68 -11.13 14.78 Favored 'General case' 0 C--N 1.347 0.496 0 O-C-N 121.061 -1.025 . . . . 0.0 111.545 -177.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 35.3 m80 . . . . . 0 CA--C 1.511 -0.55 0 O-C-N 120.521 -1.362 . . . . 0.0 111.109 -171.636 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.087 0 N-CA-C 110.411 -1.076 . . . . 0.0 110.411 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.0 tt -57.99 -38.53 67.38 Favored 'Isoleucine or valine' 0 C--N 1.345 0.383 0 C-N-CA 125.895 1.678 . . . . 0.0 113.72 -173.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -59.76 -30.79 69.93 Favored Glycine 0 C--N 1.353 1.506 0 O-C-N 120.6 -1.313 . . . . 0.0 114.206 176.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.3 -5.42 85.46 Favored Glycine 0 C--N 1.348 1.249 0 O-C-N 121.28 -1.13 . . . . 0.0 113.798 -177.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.63 15.1 13.64 Favored 'General case' 0 N--CA 1.449 -0.512 0 O-C-N 121.093 -1.24 . . . . 0.0 112.168 172.25 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 22.3 pt -128.62 -41.56 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.83 0 O-C-N 121.185 -0.947 . . . . 0.0 112.456 166.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 94.7 mt -66.58 -33.49 75.78 Favored 'General case' 0 C--N 1.354 0.78 0 O-C-N 119.588 -1.945 . . . . 0.0 111.92 -179.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.3 m -63.32 -11.83 25.1 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 127.648 2.379 . . . . 0.0 114.59 175.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.69 -49.2 0.97 Allowed Glycine 0 C--N 1.352 1.422 0 O-C-N 121.179 -0.951 . . . . 0.0 111.616 159.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -62.62 -39.25 93.22 Favored 'General case' 0 C--N 1.348 0.531 0 N-CA-C 115.624 1.713 . . . . 0.0 115.624 -169.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.2 mmtm -105.71 -15.84 14.85 Favored 'General case' 0 C--N 1.347 0.473 0 O-C-N 119.617 -1.927 . . . . 0.0 112.32 176.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 57.5 m -63.23 -39.64 95.18 Favored 'General case' 0 CA--C 1.511 -0.554 0 O-C-N 121.105 -0.997 . . . . 0.0 111.676 166.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.85 -41.1 77.31 Favored 'General case' 0 C--N 1.348 0.509 0 O-C-N 120.236 -1.54 . . . . 0.0 113.161 173.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 48.9 tp -73.52 -49.85 24.47 Favored 'General case' 0 C--N 1.346 0.448 0 N-CA-C 114.948 1.462 . . . . 0.0 114.948 173.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.4 -3.51 16.08 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 120.256 -1.527 . . . . 0.0 113.685 -164.276 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -114.0 -19.98 6.18 Favored Glycine 0 CA--C 1.5 -0.851 0 O-C-N 119.885 -1.759 . . . . 0.0 111.885 171.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -115.1 -75.76 0.58 Allowed 'General case' 0 N--CA 1.445 -0.711 0 O-C-N 121.901 -0.764 . . . . 0.0 111.049 177.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.55 -44.77 89.77 Favored 'General case' 0 C--N 1.351 0.652 0 N-CA-C 116.743 2.127 . . . . 0.0 116.743 -164.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? -62.94 -43.66 98.19 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 120.442 -1.411 . . . . 0.0 112.907 174.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -70.94 -36.76 72.73 Favored 'General case' 0 C--N 1.346 0.419 0 O-C-N 120.922 -1.111 . . . . 0.0 112.83 -178.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.2 tt -60.42 -40.84 92.47 Favored 'General case' 0 C--N 1.347 0.474 0 C-N-CA 124.992 1.317 . . . . 0.0 112.538 170.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -92.68 12.82 22.0 Favored 'General case' 0 N--CA 1.446 -0.652 0 O-C-N 120.57 -1.331 . . . . 0.0 112.762 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.0 t -60.64 -31.88 71.07 Favored 'General case' 0 C--N 1.353 0.727 0 O-C-N 120.491 -1.381 . . . . 0.0 114.562 -170.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.3 m -58.22 -38.92 77.74 Favored 'General case' 0 C--N 1.342 0.281 0 C-N-CA 124.737 1.215 . . . . 0.0 113.006 174.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -105.21 -21.95 13.16 Favored 'General case' 0 C--N 1.347 0.481 0 O-C-N 121.16 -0.963 . . . . 0.0 112.423 -171.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -112.5 7.81 19.12 Favored 'General case' 0 C--N 1.349 0.551 0 O-C-N 120.894 -1.129 . . . . 0.0 110.901 -176.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.9 t-160 . . . . . 0 CA--C 1.512 -0.491 0 O-C-N 120.332 -1.48 . . . . 0.0 109.806 178.944 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.055 0 N-CA-C 110.39 -1.084 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.9 tt -58.78 -36.77 62.48 Favored 'Isoleucine or valine' 0 C--N 1.346 0.449 0 C-N-CA 125.634 1.574 . . . . 0.0 113.619 -174.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.15 -31.47 62.04 Favored Glycine 0 C--N 1.353 1.528 0 O-C-N 120.667 -1.271 . . . . 0.0 114.051 175.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.45 -2.3 84.08 Favored Glycine 0 C--N 1.349 1.272 0 C-N-CA 124.694 1.14 . . . . 0.0 114.21 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.54 -20.95 4.99 Favored 'General case' 0 C--N 1.348 0.509 0 O-C-N 120.904 -1.351 . . . . 0.0 112.906 170.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 27.8 pt -84.73 -44.07 17.42 Favored 'Isoleucine or valine' 0 C--N 1.355 0.829 0 O-C-N 120.197 -1.564 . . . . 0.0 113.203 171.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 87.2 mt -76.17 -22.19 55.67 Favored 'General case' 0 C--N 1.355 0.829 0 O-C-N 119.413 -2.055 . . . . 0.0 111.545 -176.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.7 m -69.71 -12.88 61.98 Favored 'General case' 0 CA--C 1.514 -0.442 0 C-N-CA 126.495 1.918 . . . . 0.0 113.247 175.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.58 -48.44 1.19 Allowed Glycine 0 C--N 1.352 1.42 0 O-C-N 121.405 -0.809 . . . . 0.0 111.576 159.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.4 tt -63.75 -42.75 97.8 Favored 'General case' 0 C--N 1.348 0.509 0 N-CA-C 115.783 1.771 . . . . 0.0 115.783 -170.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.4 mmtm -99.27 -19.4 17.1 Favored 'General case' 0 C--N 1.346 0.44 0 O-C-N 119.704 -1.873 . . . . 0.0 111.446 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.4 m -63.38 -39.35 94.28 Favored 'General case' 0 CA--C 1.51 -0.563 0 C-N-CA 124.165 0.986 . . . . 0.0 111.975 166.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.01 -45.78 93.42 Favored 'General case' 0 N--CA 1.448 -0.527 0 O-C-N 119.942 -1.723 . . . . 0.0 113.197 171.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.8 tp -73.17 -49.44 28.13 Favored 'General case' 0 C--N 1.348 0.502 0 N-CA-C 115.921 1.823 . . . . 0.0 115.921 -178.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.18 4.39 16.51 Favored 'General case' 0 C--N 1.35 0.619 0 O-C-N 120.07 -1.643 . . . . 0.0 111.222 -171.169 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -102.89 -81.43 1.54 Allowed Glycine 0 CA--C 1.495 -1.167 0 N-CA-C 107.909 -2.076 . . . . 0.0 107.909 163.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.73 -52.47 56.85 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 116.225 1.935 . . . . 0.0 116.225 -172.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.09 -48.85 66.94 Favored 'General case' 0 C--N 1.35 0.622 0 N-CA-C 116.044 1.868 . . . . 0.0 116.044 -168.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.69 -40.0 84.4 Favored 'General case' 0 C--N 1.35 0.615 0 O-C-N 120.464 -1.397 . . . . 0.0 112.888 179.651 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.3 mp0 -74.26 -37.2 63.82 Favored 'General case' 0 C--N 1.346 0.438 0 O-C-N 120.395 -1.441 . . . . 0.0 113.049 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.2 tt -63.37 -41.54 98.82 Favored 'General case' 0 C--N 1.353 0.731 0 O-C-N 120.086 -1.634 . . . . 0.0 112.893 170.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.6 18.11 6.72 Favored 'General case' 0 N--CA 1.447 -0.581 0 O-C-N 120.346 -1.471 . . . . 0.0 112.392 -179.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.4 t -68.97 -16.13 63.66 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 120.382 -1.449 . . . . 0.0 114.268 -169.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.6 m -59.85 -36.59 77.18 Favored 'General case' 0 C--N 1.342 0.27 0 C-N-CA 124.551 1.14 . . . . 0.0 112.831 170.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -123.33 -27.09 4.16 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 121.19 -0.944 . . . . 0.0 112.908 -171.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -107.87 18.36 21.39 Favored 'General case' 0 C--N 1.347 0.493 0 O-C-N 120.229 -1.544 . . . . 0.0 111.189 -172.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 60.9 t60 . . . . . 0 C--N 1.347 0.48 0 O-C-N 119.891 -1.756 . . . . 0.0 112.254 177.828 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.043 0 N-CA-C 110.282 -1.127 . . . . 0.0 110.282 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.5 tt -59.05 -37.27 66.89 Favored 'Isoleucine or valine' 0 C--N 1.346 0.421 0 C-N-CA 125.565 1.546 . . . . 0.0 113.471 -175.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.49 -30.0 61.41 Favored Glycine 0 C--N 1.354 1.576 0 C-N-CA 125.306 1.431 . . . . 0.0 114.105 176.084 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.47 -1.51 76.51 Favored Glycine 0 C--N 1.349 1.299 0 C-N-CA 124.784 1.183 . . . . 0.0 114.13 -178.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.35 -29.61 2.7 Favored 'General case' 0 C--N 1.348 0.51 0 O-C-N 121.114 -1.227 . . . . 0.0 112.494 168.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 29.3 pt -72.01 -42.66 68.19 Favored 'Isoleucine or valine' 0 C--N 1.356 0.884 0 O-C-N 119.539 -1.976 . . . . 0.0 113.736 173.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 86.6 mt -77.18 -22.97 51.6 Favored 'General case' 0 C--N 1.354 0.78 0 O-C-N 119.61 -1.931 . . . . 0.0 111.659 -179.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.8 m -71.67 -15.37 62.22 Favored 'General case' 0 CA--C 1.512 -0.491 0 C-N-CA 125.653 1.581 . . . . 0.0 112.92 178.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.51 -47.11 1.71 Allowed Glycine 0 C--N 1.35 1.344 0 O-C-N 121.352 -0.843 . . . . 0.0 111.587 161.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.9 tt -65.98 -46.66 77.24 Favored 'General case' 0 C--N 1.348 0.528 0 N-CA-C 115.685 1.735 . . . . 0.0 115.685 -172.251 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.6 mmtm -83.05 -25.99 31.58 Favored 'General case' 0 C--N 1.348 0.516 0 O-C-N 119.607 -1.933 . . . . 0.0 111.556 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 32.8 m -62.88 -45.42 92.65 Favored 'General case' 0 CA--C 1.511 -0.529 0 C-N-CA 124.039 0.936 . . . . 0.0 111.808 170.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.86 -45.78 80.87 Favored 'General case' 0 C--N 1.348 0.529 0 O-C-N 120.436 -1.415 . . . . 0.0 113.595 170.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.5 tp -64.2 -40.24 95.67 Favored 'General case' 0 C--N 1.35 0.598 0 N-CA-C 115.524 1.675 . . . . 0.0 115.524 -176.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.31 -26.99 0.98 Allowed 'General case' 0 C--N 1.351 0.656 0 O-C-N 120.304 -1.497 . . . . 0.0 114.685 -177.421 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.37 -59.52 9.47 Favored Glycine 0 C--N 1.354 1.567 0 CA-C-N 121.887 2.13 . . . . 0.0 115.457 164.319 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.77 -35.41 80.5 Favored 'General case' 0 N--CA 1.449 -0.485 0 O-C-N 120.761 -1.435 . . . . 0.0 112.299 177.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -88.39 14.01 10.55 Favored 'General case' 0 N--CA 1.444 -0.741 0 O-C-N 120.922 -1.111 . . . . 0.0 112.548 178.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -94.07 -60.77 1.66 Allowed 'General case' 0 C--N 1.349 0.553 0 N-CA-C 106.853 -1.536 . . . . 0.0 106.853 150.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.05 -36.9 83.0 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 -166.442 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -102.51 -0.89 31.55 Favored 'General case' 0 C--N 1.346 0.447 0 O-C-N 120.768 -1.208 . . . . 0.0 112.817 176.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -137.11 9.04 2.98 Favored 'General case' 0 C--N 1.354 0.769 0 N-CA-C 116.019 1.859 . . . . 0.0 116.019 -174.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.2 m -63.63 -36.98 85.63 Favored 'General case' 0 C--N 1.349 0.577 0 O-C-N 119.868 -1.77 . . . . 0.0 112.401 176.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.0 m -57.38 -39.64 76.49 Favored 'General case' 0 C--N 1.344 0.35 0 C-N-CA 125.385 1.474 . . . . 0.0 113.316 176.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -100.49 -12.6 19.19 Favored 'General case' 0 C--N 1.347 0.492 0 O-C-N 121.076 -1.015 . . . . 0.0 112.796 -168.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -115.81 3.93 13.86 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 121.101 -0.999 . . . . 0.0 110.67 178.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 . . . . . 0 CA--C 1.511 -0.521 0 O-C-N 120.795 -1.191 . . . . 0.0 109.63 179.892 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.059 0 N-CA-C 109.994 -1.242 . . . . 0.0 109.994 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.4 tt -60.28 -38.1 76.23 Favored 'Isoleucine or valine' 0 C--N 1.346 0.415 0 C-N-CA 125.402 1.481 . . . . 0.0 113.41 -178.186 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -66.21 -26.96 72.64 Favored Glycine 0 C--N 1.351 1.407 0 C-N-CA 124.148 0.88 . . . . 0.0 114.257 173.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.2 -40.84 70.7 Favored Glycine 0 C--N 1.349 1.256 0 O-C-N 120.71 -1.465 . . . . 0.0 113.167 -173.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.75 -42.04 91.4 Favored 'General case' 0 C--N 1.346 0.446 0 O-C-N 121.11 -1.229 . . . . 0.0 114.02 176.274 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 38.3 pt -68.57 -42.33 83.46 Favored 'Isoleucine or valine' 0 C--N 1.354 0.792 0 O-C-N 120.267 -1.521 . . . . 0.0 113.276 174.156 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 79.7 mt -64.01 -39.91 95.17 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 120.33 -1.481 . . . . 0.0 113.158 175.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.3 t -60.71 -45.23 95.01 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 123.541 0.736 . . . . 0.0 112.709 174.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.55 -41.5 84.19 Favored Glycine 0 C--N 1.353 1.511 0 O-C-N 120.53 -1.357 . . . . 0.0 113.279 177.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.92 -46.73 83.48 Favored 'General case' 0 C--N 1.347 0.499 0 O-C-N 121.441 -1.035 . . . . 0.0 112.898 175.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -66.41 -40.61 89.67 Favored 'General case' 0 C--N 1.35 0.59 0 O-C-N 120.114 -1.616 . . . . 0.0 113.236 175.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 92.8 m -61.61 -44.42 97.03 Favored 'General case' 0 C--N 1.348 0.528 0 O-C-N 121.477 -0.765 . . . . 0.0 111.843 176.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.71 -47.22 81.99 Favored 'General case' 0 N--CA 1.449 -0.498 0 O-C-N 120.427 -1.421 . . . . 0.0 113.729 173.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.4 tp -66.84 -42.38 85.88 Favored 'General case' 0 C--N 1.347 0.496 0 N-CA-C 115.563 1.69 . . . . 0.0 115.563 -178.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -154.67 22.44 0.46 Allowed 'General case' 0 N--CA 1.45 -0.455 0 O-C-N 119.762 -1.836 . . . . 0.0 112.665 -168.035 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -105.66 -76.37 1.04 Allowed Glycine 0 C--N 1.348 1.247 0 N-CA-C 108.273 -1.931 . . . . 0.0 108.273 164.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.5 -41.92 95.31 Favored 'General case' 0 N--CA 1.449 -0.505 0 O-C-N 120.669 -1.489 . . . . 0.0 112.358 174.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.54 17.98 6.81 Favored 'General case' 0 N--CA 1.448 -0.573 0 O-C-N 120.832 -1.168 . . . . 0.0 112.4 174.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.9 tttm -93.25 -58.78 2.2 Favored 'General case' 0 C--N 1.349 0.578 0 O-C-N 120.265 -1.522 . . . . 0.0 108.063 150.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.56 -43.17 97.55 Favored 'General case' 0 C--N 1.345 0.396 0 N-CA-C 114.986 1.476 . . . . 0.0 114.986 -174.17 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 34.4 tp -74.13 -17.19 60.96 Favored 'General case' 0 C--N 1.347 0.484 0 O-C-N 120.166 -1.584 . . . . 0.0 112.624 177.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -106.11 -1.96 23.17 Favored 'General case' 0 N--CA 1.444 -0.756 0 O-C-N 120.442 -1.411 . . . . 0.0 112.325 -178.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.4 t -62.16 -40.62 96.59 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 120.863 -1.148 . . . . 0.0 113.878 -164.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.3 m -59.54 -38.59 81.46 Favored 'General case' 0 C--N 1.345 0.406 0 C-N-CA 125.399 1.48 . . . . 0.0 112.674 175.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -93.55 -0.89 56.08 Favored 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 120.892 -1.13 . . . . 0.0 111.432 -168.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -112.65 12.96 19.86 Favored 'General case' 0 C--N 1.345 0.395 0 C-N-CA 124.909 1.284 . . . . 0.0 108.192 168.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 60.3 t-80 . . . . . 0 N--CA 1.448 -0.533 0 O-C-N 120.927 -1.108 . . . . 0.0 109.75 179.471 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.04 0 N-CA-C 110.374 -1.091 . . . . 0.0 110.374 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.0 tt -58.39 -35.35 53.61 Favored 'Isoleucine or valine' 0 C--N 1.345 0.401 0 C-N-CA 125.939 1.695 . . . . 0.0 113.653 -174.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.69 -31.89 68.41 Favored Glycine 0 C--N 1.353 1.499 0 O-C-N 120.857 -1.152 . . . . 0.0 114.484 175.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.5 -4.74 89.3 Favored Glycine 0 C--N 1.35 1.313 0 O-C-N 121.692 -0.887 . . . . 0.0 113.308 177.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 54.4 tttp -98.54 -55.79 2.64 Favored 'General case' 0 N--CA 1.444 -0.744 0 O-C-N 121.169 -1.195 . . . . 0.0 109.807 168.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 27.6 pt -70.51 -42.21 78.18 Favored 'Isoleucine or valine' 0 C--N 1.352 0.687 0 N-CA-C 115.365 1.617 . . . . 0.0 115.365 -174.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 83.7 mt -77.49 -20.56 54.16 Favored 'General case' 0 C--N 1.353 0.755 0 O-C-N 119.501 -1.999 . . . . 0.0 111.614 -176.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.2 m -72.05 -14.38 61.85 Favored 'General case' 0 CA--C 1.513 -0.477 0 C-N-CA 125.568 1.547 . . . . 0.0 112.733 176.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.01 -48.74 1.32 Allowed Glycine 0 C--N 1.351 1.366 0 O-C-N 121.304 -0.873 . . . . 0.0 111.696 160.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -66.58 -47.26 73.3 Favored 'General case' 0 C--N 1.348 0.543 0 N-CA-C 115.23 1.567 . . . . 0.0 115.23 -171.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.7 mmtm -85.46 -23.13 27.95 Favored 'General case' 0 C--N 1.348 0.504 0 O-C-N 119.472 -2.018 . . . . 0.0 111.383 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 45.2 m -62.63 -45.97 90.38 Favored 'General case' 0 CA--C 1.512 -0.513 0 O-C-N 121.205 -0.935 . . . . 0.0 111.709 169.011 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.12 -47.07 75.33 Favored 'General case' 0 C--N 1.348 0.522 0 O-C-N 120.399 -1.438 . . . . 0.0 113.598 171.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 29.1 tp -74.34 -20.35 60.13 Favored 'General case' 0 C--N 1.349 0.562 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 -172.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -143.32 -21.37 0.62 Allowed 'General case' 0 C--N 1.349 0.576 0 O-C-N 119.649 -1.907 . . . . 0.0 115.721 178.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.28 -57.65 3.59 Favored Glycine 0 C--N 1.352 1.448 0 CA-C-N 121.021 1.737 . . . . 0.0 112.55 171.069 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.3 -40.57 96.71 Favored 'General case' 0 C--N 1.346 0.434 0 O-C-N 120.497 -1.59 . . . . 0.0 111.396 174.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -83.79 24.1 0.92 Allowed 'General case' 0 N--CA 1.443 -0.797 0 O-C-N 121.273 -0.892 . . . . 0.0 113.097 170.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.404 ' NZ ' ' OE2' ' A' ' 20' ' ' GLU . 1.9 ttpm? -101.64 -60.85 1.46 Allowed 'General case' 0 C--N 1.35 0.604 0 O-C-N 119.049 -2.282 . . . . 0.0 107.22 150.498 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.404 ' OE2' ' NZ ' ' A' ' 19' ' ' LYS . 1.7 mp0 -57.17 -41.59 79.55 Favored 'General case' 0 C--N 1.343 0.321 0 N-CA-C 115.061 1.504 . . . . 0.0 115.061 -175.24 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 35.7 tp -75.97 -17.71 59.61 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 120.491 -1.381 . . . . 0.0 112.875 175.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -100.91 -21.78 14.99 Favored 'General case' 0 N--CA 1.448 -0.574 0 O-C-N 120.03 -1.669 . . . . 0.0 113.029 -176.003 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.8 m -60.83 -32.45 71.83 Favored 'General case' 0 C--N 1.349 0.585 0 O-C-N 120.31 -1.494 . . . . 0.0 113.253 -178.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.0 m -56.75 -37.31 70.85 Favored 'General case' 0 C--N 1.342 0.258 0 C-N-CA 124.61 1.164 . . . . 0.0 113.277 172.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -107.52 -25.9 11.17 Favored 'General case' 0 C--N 1.349 0.55 0 O-C-N 121.271 -0.893 . . . . 0.0 112.924 -171.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -109.76 -4.79 15.86 Favored 'General case' 0 C--N 1.349 0.578 0 O-C-N 120.783 -1.198 . . . . 0.0 111.959 -176.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 31.3 m170 . . . . . 0 CA--C 1.509 -0.606 0 O-C-N 120.379 -1.45 . . . . 0.0 109.871 177.872 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.038 0 N-CA-C 110.289 -1.124 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.5 tt -59.05 -37.34 67.37 Favored 'Isoleucine or valine' 0 C--N 1.345 0.4 0 C-N-CA 125.527 1.531 . . . . 0.0 113.446 -176.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.75 -29.6 61.71 Favored Glycine 0 C--N 1.354 1.557 0 C-N-CA 125.256 1.408 . . . . 0.0 114.057 175.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.39 -1.43 75.77 Favored Glycine 0 C--N 1.349 1.299 0 C-N-CA 124.827 1.203 . . . . 0.0 114.081 -179.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.54 -29.69 2.64 Favored 'General case' 0 C--N 1.348 0.504 0 O-C-N 121.128 -1.219 . . . . 0.0 112.65 168.574 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 29.1 pt -72.32 -42.82 65.52 Favored 'Isoleucine or valine' 0 C--N 1.356 0.872 0 O-C-N 119.467 -2.021 . . . . 0.0 113.696 173.18 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 87.4 mt -77.67 -22.39 50.63 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 119.503 -1.998 . . . . 0.0 111.453 -179.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.6 m -71.92 -14.74 62.01 Favored 'General case' 0 CA--C 1.512 -0.508 0 C-N-CA 125.506 1.522 . . . . 0.0 112.918 177.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.67 -46.99 1.86 Allowed Glycine 0 C--N 1.35 1.347 0 O-C-N 121.347 -0.845 . . . . 0.0 111.728 162.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.3 tt -66.05 -48.93 69.44 Favored 'General case' 0 C--N 1.35 0.59 0 N-CA-C 115.457 1.651 . . . . 0.0 115.457 -172.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -73.78 -37.55 64.93 Favored 'General case' 0 C--N 1.348 0.535 0 O-C-N 119.932 -1.73 . . . . 0.0 111.27 179.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.8 m -60.38 -43.41 96.63 Favored 'General case' 0 CA--C 1.511 -0.554 0 C-N-CA 125.212 1.405 . . . . 0.0 112.61 175.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.12 -47.76 78.72 Favored 'General case' 0 C--N 1.347 0.475 0 O-C-N 119.984 -1.698 . . . . 0.0 113.061 170.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 47.9 tp -62.51 -40.8 97.89 Favored 'General case' 0 C--N 1.349 0.583 0 N-CA-C 115.722 1.749 . . . . 0.0 115.722 -176.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -149.71 21.49 0.91 Allowed 'General case' 0 N--CA 1.451 -0.391 0 O-C-N 119.745 -1.847 . . . . 0.0 112.621 -173.031 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -106.62 -74.36 0.9 Allowed Glycine 0 C--N 1.346 1.115 0 N-CA-C 107.693 -2.163 . . . . 0.0 107.693 161.199 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.95 -44.42 94.42 Favored 'General case' 0 N--CA 1.45 -0.444 0 O-C-N 120.72 -1.459 . . . . 0.0 112.867 176.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.87 20.66 4.63 Favored 'General case' 0 C--N 1.349 0.561 0 O-C-N 120.538 -1.351 . . . . 0.0 112.439 173.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 37.9 tttm -92.96 -56.85 2.83 Favored 'General case' 0 C--N 1.349 0.545 0 O-C-N 120.075 -1.641 . . . . 0.0 108.347 150.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.89 -40.74 98.48 Favored 'General case' 0 C--N 1.345 0.388 0 N-CA-C 114.976 1.473 . . . . 0.0 114.976 -176.283 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 35.4 tp -74.35 -16.8 60.9 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 120.116 -1.615 . . . . 0.0 112.49 175.052 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -102.1 3.25 38.41 Favored 'General case' 0 N--CA 1.447 -0.607 0 O-C-N 120.23 -1.544 . . . . 0.0 111.605 179.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.6 p -61.26 -48.43 81.45 Favored 'General case' 0 C--N 1.348 0.525 0 N-CA-C 115.328 1.603 . . . . 0.0 115.328 -165.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 98.3 m -69.66 -45.9 67.34 Favored 'General case' 0 CA--C 1.515 -0.382 0 O-C-N 120.92 -1.113 . . . . 0.0 111.401 175.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -66.16 -40.5 90.59 Favored 'General case' 0 C--N 1.345 0.398 0 N-CA-C 115.374 1.62 . . . . 0.0 115.374 -172.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -108.81 5.52 24.67 Favored 'General case' 0 C--N 1.347 0.458 0 O-C-N 121.221 -0.924 . . . . 0.0 110.751 -176.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 21.6 t-160 . . . . . 0 CA--C 1.512 -0.486 0 O-C-N 120.732 -1.23 . . . . 0.0 109.792 179.172 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.498 -1.024 0 N-CA-C 110.412 -1.075 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.1 tt -58.61 -36.13 58.39 Favored 'Isoleucine or valine' 0 C--N 1.345 0.388 0 C-N-CA 125.835 1.654 . . . . 0.0 113.709 -174.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -59.15 -31.69 69.76 Favored Glycine 0 C--N 1.353 1.519 0 O-C-N 120.822 -1.174 . . . . 0.0 114.326 175.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.59 -5.26 89.38 Favored Glycine 0 C--N 1.35 1.317 0 O-C-N 121.584 -0.951 . . . . 0.0 113.353 177.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -96.91 -54.49 3.18 Favored 'General case' 0 N--CA 1.445 -0.69 0 O-C-N 120.944 -1.327 . . . . 0.0 109.918 167.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 30.1 pt -71.59 -43.19 71.65 Favored 'Isoleucine or valine' 0 C--N 1.351 0.65 0 N-CA-C 115.329 1.603 . . . . 0.0 115.329 -174.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 86.7 mt -76.19 -19.75 58.14 Favored 'General case' 0 C--N 1.354 0.802 0 O-C-N 119.459 -2.026 . . . . 0.0 111.681 -175.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.5 m -70.06 -14.57 62.73 Favored 'General case' 0 CA--C 1.514 -0.432 0 C-N-CA 125.802 1.641 . . . . 0.0 112.954 176.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.24 -48.59 1.13 Allowed Glycine 0 C--N 1.352 1.424 0 O-C-N 121.208 -0.933 . . . . 0.0 111.914 158.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -64.35 -35.07 79.69 Favored 'General case' 0 C--N 1.349 0.577 0 N-CA-C 115.259 1.578 . . . . 0.0 115.259 -169.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.8 mmtm -109.74 -17.8 13.59 Favored 'General case' 0 CA--C 1.514 -0.431 0 O-C-N 119.053 -2.28 . . . . 0.0 112.77 175.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 38.0 m -65.28 -47.92 75.0 Favored 'General case' 0 CA--C 1.511 -0.533 0 O-C-N 120.468 -1.395 . . . . 0.0 112.01 168.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.55 -51.02 31.45 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 120.448 -1.408 . . . . 0.0 112.147 174.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 34.3 tp -99.84 61.7 1.14 Allowed 'General case' 0 C--N 1.347 0.462 0 O-C-N 120.172 -1.58 . . . . 0.0 110.432 -175.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.1 tptm 177.77 -48.06 0.01 OUTLIER 'General case' 0 C--N 1.347 0.473 0 C-N-CA 127.732 2.413 . . . . 0.0 108.44 159.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.49 -67.96 1.68 Allowed Glycine 0 C--N 1.352 1.443 0 O-C-N 121.701 -0.624 . . . . 0.0 113.106 179.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.3 -37.93 84.98 Favored 'General case' 0 C--N 1.347 0.479 0 C-N-CA 124.83 1.252 . . . . 0.0 112.213 179.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.76 -47.13 64.26 Favored 'General case' 0 C--N 1.347 0.498 0 N-CA-C 115.307 1.595 . . . . 0.0 115.307 168.186 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.19 -40.72 82.15 Favored 'General case' 0 C--N 1.355 0.81 0 O-C-N 120.192 -1.568 . . . . 0.0 112.116 174.31 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -61.82 -49.82 74.77 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 125.41 1.484 . . . . 0.0 113.605 179.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -64.92 -42.03 95.04 Favored 'General case' 0 C--N 1.347 0.496 0 C-N-CA 125.778 1.631 . . . . 0.0 112.807 175.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.57 11.05 25.48 Favored 'General case' 0 N--CA 1.446 -0.627 0 O-C-N 120.161 -1.587 . . . . 0.0 112.334 -176.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.0 t -60.02 -39.55 86.24 Favored 'General case' 0 C--N 1.349 0.568 0 N-CA-C 114.379 1.251 . . . . 0.0 114.379 -170.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.2 m -66.14 -26.52 67.48 Favored 'General case' 0 CA--C 1.52 -0.192 0 C-N-CA 124.828 1.251 . . . . 0.0 113.127 178.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -111.81 -38.85 4.73 Favored 'General case' 0 C--N 1.347 0.478 0 O-C-N 120.996 -1.065 . . . . 0.0 111.084 -164.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -108.73 10.34 26.8 Favored 'General case' 0 C--N 1.347 0.494 0 O-C-N 120.958 -1.089 . . . . 0.0 110.114 -177.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 21.4 t-160 . . . . . 0 C--N 1.347 0.457 0 O-C-N 120.17 -1.581 . . . . 0.0 110.039 174.715 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.07 0 N-CA-C 110.315 -1.114 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -65.56 -20.27 27.13 Favored 'Isoleucine or valine' 0 C--N 1.344 0.36 0 C-N-CA 125.434 1.494 . . . . 0.0 113.458 -174.435 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.56 -31.05 66.24 Favored Glycine 0 C--N 1.353 1.513 0 C-N-CA 124.768 1.175 . . . . 0.0 113.862 171.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.3 -4.29 86.64 Favored Glycine 0 C--N 1.351 1.37 0 O-C-N 121.624 -0.927 . . . . 0.0 113.446 176.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -99.05 -56.47 2.42 Favored 'General case' 0 N--CA 1.445 -0.689 0 O-C-N 121.056 -1.261 . . . . 0.0 109.821 167.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 32.9 pt -70.16 -41.87 79.02 Favored 'Isoleucine or valine' 0 C--N 1.352 0.701 0 N-CA-C 115.548 1.684 . . . . 0.0 115.548 -174.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 81.1 mt -77.68 -20.35 53.83 Favored 'General case' 0 C--N 1.353 0.739 0 O-C-N 119.43 -2.044 . . . . 0.0 111.504 -176.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.3 m -71.84 -14.67 62.03 Favored 'General case' 0 CA--C 1.511 -0.526 0 C-N-CA 125.542 1.537 . . . . 0.0 112.779 176.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.76 -49.07 1.31 Allowed Glycine 0 C--N 1.351 1.394 0 O-C-N 121.306 -0.871 . . . . 0.0 111.688 161.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -66.48 -47.19 73.84 Favored 'General case' 0 C--N 1.349 0.559 0 N-CA-C 115.262 1.578 . . . . 0.0 115.262 -171.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.0 mmtm -84.66 -24.36 29.06 Favored 'General case' 0 C--N 1.348 0.508 0 O-C-N 119.567 -1.958 . . . . 0.0 111.4 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 34.9 m -63.15 -44.99 93.97 Favored 'General case' 0 CA--C 1.511 -0.523 0 O-C-N 121.454 -0.779 . . . . 0.0 111.952 169.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.95 -48.57 68.14 Favored 'General case' 0 C--N 1.349 0.555 0 O-C-N 120.621 -1.299 . . . . 0.0 113.61 172.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.5 tp -67.32 -32.32 73.2 Favored 'General case' 0 C--N 1.351 0.654 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -176.225 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . 0.335 0.9 OUTLIER -113.22 -64.08 1.36 Allowed 'General case' 0 CA--C 1.504 -0.79 0 O-C-N 119.802 -1.811 . . . . 0.0 115.275 175.733 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -54.89 -62.52 6.17 Favored Glycine 0 C--N 1.35 1.352 0 CA-C-N 120.298 1.408 . . . . 0.0 115.986 -177.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.51 -43.2 97.91 Favored 'General case' 0 C--N 1.345 0.385 0 O-C-N 120.294 -1.71 . . . . 0.0 112.871 -179.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.32 -46.07 65.88 Favored 'General case' 0 N--CA 1.441 -0.879 0 N-CA-C 120.326 3.454 . . . . 0.0 120.326 168.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? -63.39 -41.76 98.78 Favored 'General case' 0 C--N 1.35 0.612 1 N-CA-C 121.821 4.008 . . . . 0.0 121.821 151.749 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.42 -40.11 93.2 Favored 'General case' 0 N--CA 1.463 0.18 0 O-C-N 118.66 -2.525 . . . . 0.0 113.58 178.513 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.6 tt -65.88 -44.99 83.69 Favored 'General case' 0 N--CA 1.451 -0.396 0 O-C-N 120.916 -1.115 . . . . 0.0 113.441 167.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -94.13 5.22 52.4 Favored 'General case' 0 C--N 1.35 0.607 0 O-C-N 119.653 -1.904 . . . . 0.0 115.123 -168.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.7 m -70.47 -12.72 61.76 Favored 'General case' 0 C--N 1.349 0.565 0 O-C-N 119.505 -1.997 . . . . 0.0 113.255 177.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.6 t -76.9 -21.49 54.82 Favored 'General case' 0 C--N 1.344 0.354 0 O-C-N 120.017 -1.677 . . . . 0.0 112.663 166.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -113.98 -38.0 4.32 Favored 'General case' 0 C--N 1.352 0.677 0 O-C-N 120.593 -1.317 . . . . 0.0 113.136 -172.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -118.51 13.66 13.5 Favored 'General case' 0 C--N 1.348 0.529 0 C-N-CA 125.388 1.475 . . . . 0.0 109.322 -177.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 22.6 m80 . . . . . 0 C--O 1.239 0.543 0 N-CA-C 117.057 2.243 . . . . 0.0 117.057 168.172 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.044 0 N-CA-C 110.272 -1.131 . . . . 0.0 110.272 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.4 tt -59.1 -36.23 61.47 Favored 'Isoleucine or valine' 0 C--N 1.345 0.41 0 C-N-CA 125.554 1.541 . . . . 0.0 113.533 -176.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.78 -30.33 59.57 Favored Glycine 0 C--N 1.355 1.592 0 C-N-CA 125.318 1.437 . . . . 0.0 113.951 175.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.92 -1.35 72.69 Favored Glycine 0 C--N 1.348 1.217 0 C-N-CA 124.799 1.19 . . . . 0.0 114.118 -178.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.91 -29.89 2.78 Favored 'General case' 0 C--N 1.347 0.466 0 O-C-N 121.212 -1.169 . . . . 0.0 112.657 168.145 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 30.0 pt -71.97 -42.61 68.54 Favored 'Isoleucine or valine' 0 C--N 1.355 0.847 0 O-C-N 119.434 -2.041 . . . . 0.0 113.803 174.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.4 mt -71.89 -35.49 69.74 Favored 'General case' 0 C--N 1.354 0.802 0 O-C-N 120.065 -1.647 . . . . 0.0 111.703 177.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.8 m -67.27 -14.38 62.86 Favored 'General case' 0 C--N 1.346 0.423 0 C-N-CA 125.888 1.675 . . . . 0.0 113.577 178.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.05 -70.6 1.17 Allowed Glycine 0 C--N 1.346 1.129 0 N-CA-C 110.58 -1.008 . . . . 0.0 110.58 161.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -61.4 -46.29 90.77 Favored 'General case' 0 C--N 1.347 0.491 0 N-CA-C 115.652 1.723 . . . . 0.0 115.652 -167.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm -83.19 -23.98 32.64 Favored 'General case' 0 C--N 1.347 0.49 0 O-C-N 119.409 -2.057 . . . . 0.0 112.036 -179.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 64.8 m -62.92 -44.66 95.48 Favored 'General case' 0 CA--C 1.51 -0.592 0 O-C-N 121.101 -1.0 . . . . 0.0 111.431 168.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.79 -48.79 70.59 Favored 'General case' 0 N--CA 1.449 -0.485 0 O-C-N 120.482 -1.386 . . . . 0.0 113.666 171.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 30.4 tp -75.19 -21.56 58.62 Favored 'General case' 0 C--N 1.35 0.598 0 N-CA-C 114.898 1.444 . . . . 0.0 114.898 -171.273 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.4 tptp -132.46 -28.1 1.69 Allowed 'General case' 0 C--N 1.348 0.532 0 O-C-N 119.611 -1.93 . . . . 0.0 114.047 177.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.39 -69.16 1.42 Allowed Glycine 0 C--N 1.349 1.275 0 CA-C-N 120.344 1.429 . . . . 0.0 112.062 177.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.29 -37.53 77.92 Favored 'General case' 0 C--N 1.347 0.458 0 C-N-CA 124.975 1.31 . . . . 0.0 112.265 178.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.57 -46.88 63.59 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 125.375 1.47 . . . . 0.0 114.895 165.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.35 -46.15 89.97 Favored 'General case' 0 C--N 1.361 1.072 0 O-C-N 119.874 -1.766 . . . . 0.0 111.761 173.597 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -62.3 -44.65 96.02 Favored 'General case' 0 C--N 1.345 0.409 0 O-C-N 121.014 -1.054 . . . . 0.0 113.162 -178.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -62.59 -42.86 99.82 Favored 'General case' 0 C--N 1.348 0.514 0 C-N-CA 124.354 1.062 . . . . 0.0 113.172 172.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -92.65 9.38 35.08 Favored 'General case' 0 N--CA 1.447 -0.617 0 O-C-N 120.025 -1.672 . . . . 0.0 113.629 -173.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.6 m -60.97 -41.36 96.22 Favored 'General case' 0 CA--C 1.51 -0.583 0 O-C-N 120.541 -1.349 . . . . 0.0 113.944 -173.066 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.93 4.07 51.77 Favored 'General case' 0 C--N 1.343 0.309 0 CA-C-O 121.716 0.769 . . . . 0.0 111.116 -177.465 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -111.31 -38.3 5.03 Favored 'General case' 0 C--N 1.348 0.507 0 O-C-N 120.65 -1.281 . . . . 0.0 111.589 -178.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.8 mp -109.14 7.96 25.77 Favored 'General case' 0 C--N 1.346 0.456 0 O-C-N 121.002 -1.061 . . . . 0.0 109.8 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 63.0 t-80 . . . . . 0 N--CA 1.446 -0.663 0 O-C-N 120.802 -1.186 . . . . 0.0 108.149 173.897 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.047 0 N-CA-C 110.368 -1.093 . . . . 0.0 110.368 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.0 tt -58.29 -38.59 69.81 Favored 'Isoleucine or valine' 0 C--N 1.345 0.389 0 C-N-CA 125.807 1.643 . . . . 0.0 113.713 -173.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.34 -30.04 70.33 Favored Glycine 0 C--N 1.353 1.49 0 O-C-N 120.572 -1.33 . . . . 0.0 114.053 176.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.44 -4.71 84.88 Favored Glycine 0 C--N 1.348 1.212 0 O-C-N 121.255 -1.144 . . . . 0.0 113.765 -178.379 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.09 14.83 13.19 Favored 'General case' 0 N--CA 1.449 -0.513 0 O-C-N 121.096 -1.238 . . . . 0.0 112.194 172.225 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 20.9 pt -130.4 -37.97 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.804 0 O-C-N 121.139 -0.975 . . . . 0.0 112.454 166.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 90.2 mt -76.36 -22.46 54.82 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 119.339 -2.101 . . . . 0.0 111.411 -178.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.3 m -70.29 -11.98 61.27 Favored 'General case' 0 CA--C 1.514 -0.435 0 C-N-CA 126.221 1.809 . . . . 0.0 113.07 175.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.57 -49.33 1.12 Allowed Glycine 0 C--N 1.351 1.39 0 O-C-N 121.33 -0.856 . . . . 0.0 111.37 161.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.7 tt -65.1 -47.08 78.47 Favored 'General case' 0 C--N 1.349 0.547 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 -172.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -86.93 -22.87 25.37 Favored 'General case' 0 C--N 1.348 0.503 0 O-C-N 119.786 -1.821 . . . . 0.0 111.252 -179.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 35.4 m -63.96 -42.56 97.24 Favored 'General case' 0 CA--C 1.512 -0.514 0 C-N-CA 124.105 0.962 . . . . 0.0 111.924 168.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.09 -46.84 79.46 Favored 'General case' 0 N--CA 1.448 -0.56 0 O-C-N 120.28 -1.513 . . . . 0.0 113.366 169.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 26.6 tp -66.55 -45.39 79.54 Favored 'General case' 0 C--N 1.351 0.639 0 N-CA-C 115.721 1.749 . . . . 0.0 115.721 -177.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.2 tptp -83.12 -50.43 8.49 Favored 'General case' 0 CA--C 1.508 -0.665 0 O-C-N 119.947 -1.721 . . . . 0.0 111.044 173.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -78.82 -73.25 1.12 Allowed Glycine 0 CA--C 1.488 -1.609 0 O-C-N 121.306 -0.871 . . . . 0.0 111.625 -165.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.05 -43.77 91.73 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 -174.402 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.2 -49.01 71.41 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 115.636 1.717 . . . . 0.0 115.636 177.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.0 tptt -74.7 -40.4 61.38 Favored 'General case' 0 C--N 1.355 0.829 0 O-C-N 120.008 -1.682 . . . . 0.0 113.41 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.38 -37.23 84.8 Favored 'General case' 0 C--N 1.345 0.387 0 O-C-N 120.666 -1.271 . . . . 0.0 112.171 179.22 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 51.0 tp -63.7 -43.84 95.43 Favored 'General case' 0 C--N 1.354 0.801 0 O-C-N 119.924 -1.735 . . . . 0.0 112.759 166.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.3 37.15 0.72 Allowed 'General case' 0 N--CA 1.446 -0.66 0 O-C-N 119.992 -1.693 . . . . 0.0 112.994 176.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.2 m -59.47 -53.34 59.29 Favored 'General case' 0 C--N 1.356 0.856 0 O-C-N 120.623 -1.298 . . . . 0.0 112.683 -175.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.8 m -75.99 -46.08 31.39 Favored 'General case' 0 CA--C 1.513 -0.456 0 C-N-CA 123.766 0.826 . . . . 0.0 112.521 173.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -67.84 -42.66 81.06 Favored 'General case' 0 C--N 1.348 0.524 0 N-CA-C 115.978 1.844 . . . . 0.0 115.978 -163.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -109.73 71.03 0.75 Allowed 'General case' 0 C--N 1.346 0.45 0 N-CA-C 105.987 -1.857 . . . . 0.0 105.987 173.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 9.6 m80 . . . . . 0 C--N 1.346 0.444 0 C-N-CA 130.225 3.41 . . . . 0.0 117.091 -161.874 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.032 0 N-CA-C 110.375 -1.09 . . . . 0.0 110.375 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.0 tt -58.34 -35.01 51.83 Favored 'Isoleucine or valine' 0 C--N 1.346 0.424 0 C-N-CA 125.943 1.697 . . . . 0.0 113.647 -174.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.46 -31.65 67.06 Favored Glycine 0 C--N 1.353 1.525 0 O-C-N 120.79 -1.194 . . . . 0.0 114.556 175.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.33 -4.78 89.18 Favored Glycine 0 C--N 1.35 1.358 0 O-C-N 121.663 -0.904 . . . . 0.0 113.349 177.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.9 tttp -98.79 -56.36 2.46 Favored 'General case' 0 N--CA 1.444 -0.744 0 O-C-N 121.154 -1.204 . . . . 0.0 109.705 168.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 28.2 pt -69.99 -41.43 79.36 Favored 'Isoleucine or valine' 0 C--N 1.351 0.666 0 N-CA-C 115.388 1.625 . . . . 0.0 115.388 -174.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 86.6 mt -78.48 -21.53 48.84 Favored 'General case' 0 C--N 1.354 0.768 0 O-C-N 119.538 -1.976 . . . . 0.0 111.739 -177.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.3 m -71.69 -15.76 62.22 Favored 'General case' 0 CA--C 1.513 -0.445 0 C-N-CA 125.007 1.323 . . . . 0.0 112.132 175.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.15 -65.2 1.22 Allowed Glycine 0 C--N 1.348 1.244 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 160.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -61.73 -48.2 81.81 Favored 'General case' 0 C--N 1.348 0.506 0 N-CA-C 116.191 1.923 . . . . 0.0 116.191 -167.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.8 mmtm -72.99 -38.1 66.75 Favored 'General case' 0 C--N 1.351 0.643 0 O-C-N 119.551 -1.968 . . . . 0.0 111.753 178.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.7 m -59.88 -43.73 94.59 Favored 'General case' 0 CA--C 1.51 -0.571 0 C-N-CA 124.556 1.143 . . . . 0.0 112.433 175.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.95 -47.64 79.63 Favored 'General case' 0 N--CA 1.448 -0.537 0 O-C-N 120.167 -1.583 . . . . 0.0 113.231 171.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.2 tp -63.22 -41.5 99.13 Favored 'General case' 0 C--N 1.349 0.558 0 N-CA-C 115.56 1.689 . . . . 0.0 115.56 -176.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -150.1 20.47 0.87 Allowed 'General case' 0 C--N 1.346 0.426 0 O-C-N 119.823 -1.798 . . . . 0.0 113.172 -172.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -103.63 -76.78 1.14 Allowed Glycine 0 C--N 1.346 1.138 0 N-CA-C 107.58 -2.208 . . . . 0.0 107.58 160.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.02 -41.45 87.79 Favored 'General case' 0 N--CA 1.451 -0.412 0 O-C-N 120.817 -1.402 . . . . 0.0 112.974 178.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.91 17.73 6.45 Favored 'General case' 0 N--CA 1.447 -0.587 0 O-C-N 120.733 -1.229 . . . . 0.0 112.835 173.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.1 -52.96 4.57 Favored 'General case' 0 C--N 1.353 0.76 0 O-C-N 119.93 -1.731 . . . . 0.0 107.232 150.462 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -61.78 -43.56 98.61 Favored 'General case' 0 C--N 1.35 0.605 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 -175.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.8 tt -61.15 -34.42 74.98 Favored 'General case' 0 C--N 1.348 0.52 0 O-C-N 120.64 -1.287 . . . . 0.0 113.137 174.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.95 4.64 49.44 Favored 'General case' 0 N--CA 1.443 -0.806 0 O-C-N 120.67 -1.269 . . . . 0.0 112.187 -177.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 t -65.03 -41.86 94.87 Favored 'General case' 0 CA--C 1.507 -0.675 0 N-CA-C 114.785 1.402 . . . . 0.0 114.785 -162.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.0 m -62.88 -44.12 96.97 Favored 'General case' 0 CA--C 1.515 -0.369 0 O-C-N 120.862 -1.149 . . . . 0.0 112.299 175.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -69.86 -41.9 74.24 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.417 1.487 . . . . 0.0 114.386 -177.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.3 mp -99.92 -10.8 21.28 Favored 'General case' 0 C--N 1.348 0.539 0 O-C-N 121.017 -1.052 . . . . 0.0 111.873 -174.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 43.0 m170 . . . . . 0 CA--C 1.511 -0.53 0 O-C-N 121.05 -1.031 . . . . 0.0 108.821 177.463 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.498 -1.002 0 N-CA-C 110.418 -1.073 . . . . 0.0 110.418 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -59.88 -27.78 39.21 Favored 'Isoleucine or valine' 0 C--N 1.344 0.363 0 C-N-CA 126.256 1.822 . . . . 0.0 113.82 -175.645 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.93 -30.67 63.62 Favored Glycine 0 C--N 1.353 1.485 0 C-N-CA 124.983 1.278 . . . . 0.0 114.242 173.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.33 -4.46 86.9 Favored Glycine 0 C--N 1.351 1.372 0 CA-C-N 118.092 0.946 . . . . 0.0 113.51 177.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -99.73 -56.28 2.43 Favored 'General case' 0 N--CA 1.445 -0.688 0 O-C-N 121.161 -1.199 . . . . 0.0 109.879 167.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 35.9 pt -68.99 -41.58 81.83 Favored 'Isoleucine or valine' 0 C--N 1.351 0.673 0 N-CA-C 115.553 1.686 . . . . 0.0 115.553 -175.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 88.0 mt -77.9 -19.68 54.29 Favored 'General case' 0 C--N 1.353 0.726 0 O-C-N 119.41 -2.056 . . . . 0.0 111.62 -177.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.2 m -72.25 -14.14 61.7 Favored 'General case' 0 CA--C 1.512 -0.505 0 C-N-CA 125.264 1.425 . . . . 0.0 112.535 176.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.68 -47.78 1.6 Allowed Glycine 0 C--N 1.351 1.385 0 O-C-N 121.364 -0.835 . . . . 0.0 111.948 161.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -67.04 -48.56 67.97 Favored 'General case' 0 C--N 1.35 0.592 0 N-CA-C 115.453 1.649 . . . . 0.0 115.453 -172.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.4 mmtm -74.22 -36.86 63.96 Favored 'General case' 0 C--N 1.35 0.622 0 O-C-N 119.623 -1.923 . . . . 0.0 111.344 177.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.6 m -59.81 -43.54 94.44 Favored 'General case' 0 CA--C 1.511 -0.541 0 C-N-CA 124.719 1.208 . . . . 0.0 112.709 175.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.42 -47.6 78.53 Favored 'General case' 0 C--N 1.348 0.521 0 O-C-N 120.005 -1.684 . . . . 0.0 113.239 170.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 42.0 tp -63.12 -40.92 99.01 Favored 'General case' 0 C--N 1.349 0.586 0 N-CA-C 115.625 1.713 . . . . 0.0 115.625 -176.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -150.12 20.18 0.87 Allowed 'General case' 0 N--CA 1.451 -0.412 0 O-C-N 119.76 -1.837 . . . . 0.0 112.929 -172.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -103.79 -76.78 1.14 Allowed Glycine 0 C--N 1.347 1.187 0 N-CA-C 107.541 -2.224 . . . . 0.0 107.541 160.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.51 -41.56 85.71 Favored 'General case' 0 N--CA 1.45 -0.44 0 O-C-N 120.558 -1.554 . . . . 0.0 112.925 178.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.85 17.59 6.54 Favored 'General case' 0 N--CA 1.446 -0.656 0 O-C-N 120.61 -1.306 . . . . 0.0 112.955 173.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -96.22 -40.2 9.29 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 119.862 -1.774 . . . . 0.0 109.322 152.28 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -68.91 -44.48 73.07 Favored 'General case' 0 C--N 1.348 0.523 0 O-C-N 120.752 -1.218 . . . . 0.0 113.846 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 45.5 tp -61.72 -32.09 72.29 Favored 'General case' 0 C--N 1.347 0.499 0 O-C-N 120.674 -1.266 . . . . 0.0 112.942 174.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.08 3.11 53.59 Favored 'General case' 0 N--CA 1.442 -0.833 0 O-C-N 120.709 -1.244 . . . . 0.0 112.519 -178.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 t -63.13 -37.66 88.09 Favored 'General case' 0 C--N 1.351 0.669 0 N-CA-C 114.955 1.465 . . . . 0.0 114.955 -164.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.2 m -93.51 3.21 55.91 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-O 121.898 0.856 . . . . 0.0 110.838 -175.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -124.26 -37.48 2.54 Favored 'General case' 0 C--N 1.348 0.532 0 O-C-N 120.759 -1.213 . . . . 0.0 111.198 -170.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -109.69 -0.31 18.62 Favored 'General case' 0 C--N 1.348 0.508 0 O-C-N 121.333 -0.854 . . . . 0.0 109.759 177.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 60.7 m-70 . . . . . 0 C--N 1.349 0.549 0 N-CA-C 115.966 1.839 . . . . 0.0 115.966 171.429 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.069 0 N-CA-C 110.433 -1.067 . . . . 0.0 110.433 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -59.79 -27.83 39.09 Favored 'Isoleucine or valine' 0 C--N 1.344 0.364 0 C-N-CA 126.262 1.825 . . . . 0.0 113.854 -175.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.99 -30.59 63.72 Favored Glycine 0 C--N 1.353 1.498 0 C-N-CA 124.941 1.258 . . . . 0.0 114.294 173.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.45 -4.51 87.27 Favored Glycine 0 C--N 1.351 1.383 0 CA-C-N 118.052 0.926 . . . . 0.0 113.512 177.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -99.55 -56.43 2.4 Favored 'General case' 0 N--CA 1.446 -0.649 0 O-C-N 121.157 -1.202 . . . . 0.0 109.8 167.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 36.0 pt -68.86 -41.55 82.17 Favored 'Isoleucine or valine' 0 C--N 1.352 0.694 0 N-CA-C 115.54 1.681 . . . . 0.0 115.54 -175.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 90.7 mt -78.25 -19.19 54.23 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 119.397 -2.064 . . . . 0.0 111.695 -177.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.0 m -72.44 -14.5 61.7 Favored 'General case' 0 CA--C 1.512 -0.496 0 C-N-CA 125.123 1.369 . . . . 0.0 112.537 176.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.5 -47.48 1.66 Allowed Glycine 0 C--N 1.351 1.385 0 O-C-N 121.337 -0.852 . . . . 0.0 111.921 161.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -66.78 -48.7 68.2 Favored 'General case' 0 C--N 1.351 0.645 0 N-CA-C 115.342 1.608 . . . . 0.0 115.342 -172.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.7 mmtm -72.93 -37.74 67.08 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 119.661 -1.899 . . . . 0.0 111.469 177.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.3 m -59.82 -43.51 94.51 Favored 'General case' 0 CA--C 1.512 -0.504 0 C-N-CA 124.911 1.284 . . . . 0.0 112.737 176.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.34 -48.45 72.97 Favored 'General case' 0 N--CA 1.449 -0.521 0 O-C-N 120.061 -1.649 . . . . 0.0 113.304 170.086 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.9 tp -63.53 -40.39 96.91 Favored 'General case' 0 C--N 1.35 0.598 0 N-CA-C 115.681 1.734 . . . . 0.0 115.681 -175.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -149.8 20.56 0.9 Allowed 'General case' 0 N--CA 1.449 -0.501 0 O-C-N 119.827 -1.795 . . . . 0.0 112.357 -172.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -103.25 -78.18 1.26 Allowed Glycine 0 C--N 1.347 1.181 0 N-CA-C 107.529 -2.228 . . . . 0.0 107.529 160.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.24 -42.47 91.18 Favored 'General case' 0 C--N 1.345 0.406 0 O-C-N 120.665 -1.491 . . . . 0.0 113.051 178.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.78 17.1 6.95 Favored 'General case' 0 N--CA 1.446 -0.659 0 O-C-N 120.74 -1.225 . . . . 0.0 112.482 173.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.8 tttm -90.65 -54.6 3.91 Favored 'General case' 0 C--N 1.354 0.761 0 O-C-N 119.872 -1.768 . . . . 0.0 107.642 150.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -60.47 -42.46 96.27 Favored 'General case' 0 C--N 1.351 0.645 0 N-CA-C 114.511 1.3 . . . . 0.0 114.511 -173.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.51 -17.39 62.34 Favored 'General case' 0 C--N 1.348 0.535 0 O-C-N 120.79 -1.193 . . . . 0.0 112.179 177.159 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -100.17 -9.23 22.72 Favored 'General case' 0 N--CA 1.445 -0.72 0 O-C-N 119.983 -1.698 . . . . 0.0 112.156 177.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.6 m -74.89 -15.3 60.71 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 120.198 -1.564 . . . . 0.0 112.815 -173.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.5 m -61.65 -36.52 81.04 Favored 'General case' 0 C--N 1.342 0.253 0 O-C-N 121.023 -1.048 . . . . 0.0 112.673 166.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -112.26 -33.92 6.07 Favored 'General case' 0 C--N 1.349 0.573 0 O-C-N 121.145 -0.972 . . . . 0.0 112.298 -168.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.1 mp -108.19 2.12 22.62 Favored 'General case' 0 C--N 1.348 0.505 0 C-N-CA 124.64 1.176 . . . . 0.0 110.333 -177.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 . . . . . 0 C--O 1.24 0.598 0 N-CA-C 115.572 1.693 . . . . 0.0 115.572 172.883 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.062 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -58.99 -29.12 40.44 Favored 'Isoleucine or valine' 0 C--N 1.345 0.399 0 C-N-CA 126.396 1.878 . . . . 0.0 113.98 -175.252 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.24 -31.68 66.29 Favored Glycine 0 C--N 1.353 1.503 0 C-N-CA 124.495 1.045 . . . . 0.0 114.389 173.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.23 -5.29 89.14 Favored Glycine 0 C--N 1.351 1.39 0 O-C-N 121.469 -1.018 . . . . 0.0 113.265 176.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.8 tmtm? -95.95 -54.53 3.29 Favored 'General case' 0 N--CA 1.445 -0.697 0 O-C-N 121.019 -1.283 . . . . 0.0 109.369 169.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 34.9 pt -73.24 -42.27 58.0 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 N-CA-C 115.515 1.672 . . . . 0.0 115.515 -175.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.0 mt -76.86 -20.2 56.59 Favored 'General case' 0 C--N 1.354 0.78 0 O-C-N 119.255 -2.153 . . . . 0.0 111.729 -175.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 42.8 m -71.34 -13.79 61.98 Favored 'General case' 0 CA--C 1.513 -0.472 0 C-N-CA 125.543 1.537 . . . . 0.0 112.65 175.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.36 -47.59 1.53 Allowed Glycine 0 C--N 1.352 1.439 0 O-C-N 121.276 -0.89 . . . . 0.0 111.898 161.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -66.93 -48.83 67.42 Favored 'General case' 0 C--N 1.35 0.597 0 N-CA-C 115.425 1.639 . . . . 0.0 115.425 -172.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.6 mmtm -72.99 -37.79 66.87 Favored 'General case' 0 C--N 1.351 0.639 0 O-C-N 119.666 -1.896 . . . . 0.0 111.302 177.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.1 m -59.63 -43.75 93.71 Favored 'General case' 0 CA--C 1.511 -0.543 0 C-N-CA 124.861 1.264 . . . . 0.0 112.752 176.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.81 -47.87 76.48 Favored 'General case' 0 N--CA 1.45 -0.466 0 O-C-N 120.092 -1.63 . . . . 0.0 113.228 170.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.0 tp -63.22 -41.46 99.13 Favored 'General case' 0 C--N 1.349 0.557 0 N-CA-C 115.567 1.692 . . . . 0.0 115.567 -175.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -150.31 21.41 0.84 Allowed 'General case' 0 N--CA 1.45 -0.452 0 O-C-N 119.796 -1.815 . . . . 0.0 112.784 -172.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -104.14 -77.14 1.15 Allowed Glycine 0 C--N 1.347 1.176 0 N-CA-C 107.623 -2.191 . . . . 0.0 107.623 160.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.96 -41.64 87.96 Favored 'General case' 0 N--CA 1.45 -0.448 0 O-C-N 120.713 -1.463 . . . . 0.0 113.009 178.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.8 17.72 6.34 Favored 'General case' 0 N--CA 1.447 -0.617 0 O-C-N 120.7 -1.25 . . . . 0.0 112.757 173.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.35 -52.15 4.94 Favored 'General case' 0 C--N 1.353 0.721 0 O-C-N 119.93 -1.731 . . . . 0.0 107.485 150.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -62.43 -44.99 95.1 Favored 'General case' 0 C--N 1.35 0.617 0 N-CA-C 114.926 1.454 . . . . 0.0 114.926 -175.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.1 tt -61.48 -35.31 77.3 Favored 'General case' 0 C--N 1.348 0.533 0 O-C-N 120.891 -1.131 . . . . 0.0 113.088 176.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -98.46 3.64 48.31 Favored 'General case' 0 N--CA 1.442 -0.825 0 O-C-N 120.836 -1.165 . . . . 0.0 112.324 -176.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.3 t -62.73 -36.41 82.94 Favored 'General case' 0 C--N 1.351 0.647 0 N-CA-C 114.992 1.479 . . . . 0.0 114.992 -161.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.0 m -61.94 -40.46 95.61 Favored 'General case' 0 C--N 1.343 0.312 0 C-N-CA 125.251 1.42 . . . . 0.0 113.123 174.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -97.88 -13.45 21.24 Favored 'General case' 0 C--N 1.345 0.404 0 O-C-N 121.09 -1.006 . . . . 0.0 111.669 -166.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -115.74 31.57 6.63 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 125.906 1.683 . . . . 0.0 107.425 177.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 . . . . . 0 C--N 1.347 0.487 0 CA-C-O 122.212 1.006 . . . . 0.0 112.428 179.963 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.062 0 N-CA-C 110.325 -1.11 . . . . 0.0 110.325 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -64.34 -21.68 29.56 Favored 'Isoleucine or valine' 0 C--N 1.345 0.381 0 C-N-CA 125.539 1.536 . . . . 0.0 113.619 -174.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.31 -30.81 65.03 Favored Glycine 0 C--N 1.353 1.473 0 C-N-CA 124.98 1.276 . . . . 0.0 113.89 172.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.98 -4.21 85.59 Favored Glycine 0 C--N 1.35 1.346 0 O-C-N 121.65 -0.912 . . . . 0.0 113.499 177.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -100.63 -56.67 2.28 Favored 'General case' 0 N--CA 1.446 -0.636 0 O-C-N 121.146 -1.208 . . . . 0.0 109.871 167.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 33.4 pt -68.55 -40.94 82.66 Favored 'Isoleucine or valine' 0 C--N 1.352 0.704 0 N-CA-C 115.585 1.698 . . . . 0.0 115.585 -174.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 78.9 mt -79.02 -21.02 47.56 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 119.584 -1.948 . . . . 0.0 111.558 -178.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 43.0 m -72.0 -14.29 61.85 Favored 'General case' 0 CA--C 1.513 -0.45 0 C-N-CA 125.354 1.462 . . . . 0.0 112.28 175.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -93.6 -68.83 1.09 Allowed Glycine 0 C--N 1.347 1.183 0 N-CA-C 110.208 -1.157 . . . . 0.0 110.208 160.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -60.97 -45.02 96.44 Favored 'General case' 0 C--N 1.347 0.457 0 N-CA-C 115.79 1.774 . . . . 0.0 115.79 -167.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.6 mmtm -89.27 -18.39 27.1 Favored 'General case' 0 C--N 1.347 0.479 0 O-C-N 119.428 -2.045 . . . . 0.0 111.877 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 91.6 m -64.08 -45.13 90.05 Favored 'General case' 0 CA--C 1.512 -0.518 0 O-C-N 120.67 -1.269 . . . . 0.0 111.15 165.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.3 -48.64 72.44 Favored 'General case' 0 C--N 1.349 0.546 0 O-C-N 120.954 -1.091 . . . . 0.0 113.801 172.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 26.1 tp -77.01 -17.46 58.82 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 120.819 -1.175 . . . . 0.0 114.019 -173.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -118.03 -70.6 0.78 Allowed 'General case' 0 CA--C 1.507 -0.701 0 O-C-N 119.922 -1.736 . . . . 0.0 112.211 176.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -54.13 -61.09 7.52 Favored Glycine 0 C--N 1.35 1.342 0 CA-C-N 119.572 1.078 . . . . 0.0 115.72 -178.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.47 -40.91 98.2 Favored 'General case' 0 C--N 1.347 0.458 0 O-C-N 121.182 -1.187 . . . . 0.0 112.687 -179.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.65 -46.87 63.89 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 125.38 1.472 . . . . 0.0 114.287 167.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -46.76 86.62 Favored 'General case' 0 C--N 1.354 0.782 0 O-C-N 120.03 -1.669 . . . . 0.0 112.394 174.169 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -65.71 -35.75 81.63 Favored 'General case' 0 C--N 1.344 0.355 0 O-C-N 120.528 -1.357 . . . . 0.0 113.789 -177.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.21 -5.65 59.15 Favored 'General case' 0 N--CA 1.45 -0.444 0 O-C-N 120.929 -1.107 . . . . 0.0 112.807 179.206 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -136.73 9.29 3.09 Favored 'General case' 0 C--N 1.353 0.749 0 O-C-N 119.822 -1.799 . . . . 0.0 115.228 -176.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 p -70.09 -24.84 63.29 Favored 'General case' 0 C--N 1.351 0.659 0 O-C-N 119.535 -1.978 . . . . 0.0 112.047 168.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.0 m -59.44 -32.81 70.56 Favored 'General case' 0 CA--C 1.517 -0.302 0 C-N-CA 126.008 1.723 . . . . 0.0 112.908 171.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -112.36 -39.01 4.52 Favored 'General case' 0 C--N 1.349 0.545 0 O-C-N 121.468 -0.77 . . . . 0.0 112.052 -169.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -103.19 -1.8 28.35 Favored 'General case' 0 C--N 1.349 0.582 0 O-C-N 120.601 -1.312 . . . . 0.0 111.822 -176.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 30.4 m170 . . . . . 0 CA--C 1.51 -0.583 0 O-C-N 120.43 -1.419 . . . . 0.0 110.327 176.815 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.05 0 N-CA-C 110.315 -1.114 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.5 tt -59.17 -37.38 68.17 Favored 'Isoleucine or valine' 0 C--N 1.346 0.44 0 C-N-CA 125.332 1.453 . . . . 0.0 113.456 -176.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.61 -29.99 61.75 Favored Glycine 0 C--N 1.355 1.625 0 C-N-CA 125.227 1.394 . . . . 0.0 114.032 175.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.34 -1.27 74.81 Favored Glycine 0 C--N 1.348 1.228 0 C-N-CA 125.009 1.29 . . . . 0.0 114.153 -178.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.36 -29.62 2.69 Favored 'General case' 0 C--N 1.346 0.447 0 O-C-N 121.193 -1.181 . . . . 0.0 112.516 168.202 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 29.4 pt -72.35 -42.84 65.24 Favored 'Isoleucine or valine' 0 C--N 1.356 0.873 0 O-C-N 119.505 -1.997 . . . . 0.0 113.785 173.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 84.9 mt -77.52 -22.98 50.32 Favored 'General case' 0 C--N 1.354 0.795 0 O-C-N 119.658 -1.902 . . . . 0.0 111.492 -178.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.0 m -71.4 -14.53 62.2 Favored 'General case' 0 CA--C 1.51 -0.56 0 C-N-CA 125.807 1.643 . . . . 0.0 113.168 178.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.71 -49.3 1.29 Allowed Glycine 0 C--N 1.35 1.349 0 O-C-N 121.354 -0.841 . . . . 0.0 111.587 160.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -66.0 -45.26 82.21 Favored 'General case' 0 C--N 1.349 0.563 0 N-CA-C 115.435 1.643 . . . . 0.0 115.435 -170.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.8 mmtm -91.58 -20.1 22.03 Favored 'General case' 0 C--N 1.347 0.461 0 O-C-N 119.491 -2.005 . . . . 0.0 111.294 -179.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 51.9 m -63.81 -45.3 90.25 Favored 'General case' 0 CA--C 1.51 -0.568 0 O-C-N 121.257 -0.902 . . . . 0.0 111.604 167.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.29 -47.07 77.92 Favored 'General case' 0 C--N 1.349 0.581 0 O-C-N 120.878 -1.139 . . . . 0.0 113.592 172.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 24.6 tp -71.92 -26.17 62.2 Favored 'General case' 0 C--N 1.35 0.596 0 N-CA-C 114.746 1.388 . . . . 0.0 114.746 -174.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.21 -70.52 0.79 Allowed 'General case' 0 CA--C 1.51 -0.596 0 O-C-N 120.331 -1.481 . . . . 0.0 111.925 177.394 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -50.77 -58.97 8.47 Favored Glycine 0 C--N 1.351 1.387 0 N-CA-C 116.492 1.357 . . . . 0.0 116.492 -175.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.17 -40.47 97.62 Favored 'General case' 0 C--N 1.345 0.396 0 O-C-N 121.028 -1.278 . . . . 0.0 112.797 178.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.57 -39.45 88.05 Favored 'General case' 0 N--CA 1.446 -0.673 0 N-CA-C 113.949 1.092 . . . . 0.0 113.949 173.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.37 -44.29 95.2 Favored 'General case' 0 C--N 1.354 0.776 0 O-C-N 120.318 -1.489 . . . . 0.0 111.967 173.72 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -69.43 -43.24 73.76 Favored 'General case' 0 C--N 1.345 0.38 0 O-C-N 120.758 -1.214 . . . . 0.0 113.004 179.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.2 tt -62.24 -43.02 99.77 Favored 'General case' 0 C--N 1.348 0.532 0 O-C-N 120.941 -1.099 . . . . 0.0 113.517 175.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.51 13.85 28.51 Favored 'General case' 0 N--CA 1.445 -0.69 0 O-C-N 120.405 -1.434 . . . . 0.0 112.559 -176.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.7 t -60.13 -39.57 86.72 Favored 'General case' 0 C--N 1.352 0.685 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 -167.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.4 m -75.06 -18.34 60.32 Favored 'General case' 0 C--N 1.341 0.226 0 C-N-CA 124.061 0.944 . . . . 0.0 112.544 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -112.51 -39.15 4.44 Favored 'General case' 0 C--N 1.346 0.415 0 O-C-N 120.967 -1.083 . . . . 0.0 112.431 -164.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -110.0 15.43 22.55 Favored 'General case' 0 C--N 1.346 0.44 0 O-C-N 120.896 -1.128 . . . . 0.0 110.934 -172.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 84.6 t60 . . . . . 0 C--N 1.346 0.454 0 O-C-N 120.219 -1.551 . . . . 0.0 111.198 175.288 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.498 -1.009 0 N-CA-C 110.345 -1.102 . . . . 0.0 110.345 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.4 tt -57.94 -38.57 67.27 Favored 'Isoleucine or valine' 0 C--N 1.346 0.436 0 C-N-CA 125.744 1.618 . . . . 0.0 113.298 -174.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -46.48 -44.25 15.93 Favored Glycine 0 C--N 1.354 1.573 0 C-N-CA 126.203 1.859 . . . . 0.0 114.74 172.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.6 -4.65 85.21 Favored Glycine 0 C--N 1.347 1.186 0 O-C-N 121.747 -0.854 . . . . 0.0 114.56 -176.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.78 -5.69 10.15 Favored 'General case' 0 N--CA 1.45 -0.457 0 O-C-N 120.828 -1.395 . . . . 0.0 113.239 170.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 32.4 pt -90.11 -52.22 10.9 Favored 'Isoleucine or valine' 0 C--N 1.354 0.763 0 O-C-N 120.397 -1.439 . . . . 0.0 113.006 162.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 96.6 mt -66.66 -32.71 74.2 Favored 'General case' 0 C--N 1.355 0.81 0 O-C-N 120.2 -1.563 . . . . 0.0 113.009 -170.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.8 m -63.54 -15.58 58.37 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 126.56 1.944 . . . . 0.0 114.375 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.61 -49.21 0.98 Allowed Glycine 0 C--N 1.352 1.465 0 O-C-N 121.333 -0.854 . . . . 0.0 111.763 158.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -63.09 -32.87 74.34 Favored 'General case' 0 C--N 1.348 0.517 0 C-N-CA 126.142 1.777 . . . . 0.0 115.591 -167.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.7 mmtm -114.86 -14.89 11.9 Favored 'General case' 0 C--N 1.346 0.418 0 O-C-N 119.27 -2.144 . . . . 0.0 113.181 173.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 60.6 m -61.88 -42.14 98.7 Favored 'General case' 0 CA--C 1.51 -0.57 0 O-C-N 120.576 -1.328 . . . . 0.0 111.634 167.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.05 -19.39 65.67 Favored 'General case' 0 C--N 1.35 0.602 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 178.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.8 tp -112.29 -8.15 13.96 Favored 'General case' 0 C--N 1.35 0.608 0 O-C-N 120.74 -1.225 . . . . 0.0 111.737 -173.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.1 tptm -118.41 -70.83 0.77 Allowed 'General case' 0 C--N 1.348 0.51 0 O-C-N 120.109 -1.62 . . . . 0.0 110.879 172.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.76 -61.52 7.36 Favored Glycine 0 C--N 1.355 1.609 0 C-N-CA 123.77 0.7 . . . . 0.0 114.312 -178.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.35 -36.62 84.31 Favored 'General case' 0 C--N 1.347 0.489 0 CA-C-O 122.336 1.065 . . . . 0.0 112.623 -178.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.56 -44.71 96.53 Favored 'General case' 0 N--CA 1.446 -0.66 0 O-C-N 120.435 -1.416 . . . . 0.0 114.073 176.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.71 -17.45 41.29 Favored 'General case' 0 C--N 1.353 0.721 0 O-C-N 120.191 -1.568 . . . . 0.0 112.396 176.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -70.39 -50.47 38.37 Favored 'General case' 0 N--CA 1.452 -0.341 0 O-C-N 120.329 -1.482 . . . . 0.0 112.191 169.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.1 tt -68.39 -45.74 71.87 Favored 'General case' 0 C--N 1.349 0.553 0 O-C-N 120.792 -1.192 . . . . 0.0 113.255 176.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.65 28.26 3.49 Favored 'General case' 0 N--CA 1.448 -0.571 0 O-C-N 119.988 -1.695 . . . . 0.0 111.49 -175.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.3 t -58.03 -45.9 86.21 Favored 'General case' 0 C--N 1.35 0.605 0 N-CA-C 115.779 1.77 . . . . 0.0 115.779 -165.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.6 m -65.21 -43.49 91.36 Favored 'General case' 0 CA--C 1.514 -0.436 0 C-N-CA 125.234 1.414 . . . . 0.0 112.888 176.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -69.54 -40.68 76.72 Favored 'General case' 0 C--N 1.344 0.363 0 C-N-CA 124.529 1.131 . . . . 0.0 113.452 -176.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.4 mp -98.11 8.47 44.74 Favored 'General case' 0 C--N 1.345 0.408 0 O-C-N 121.331 -0.855 . . . . 0.0 111.406 -175.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 . . . . . 0 C--N 1.35 0.623 0 N-CA-C 116.597 2.073 . . . . 0.0 116.597 172.542 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.498 -1.018 0 N-CA-C 110.375 -1.09 . . . . 0.0 110.375 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.1 tt -58.56 -36.26 58.75 Favored 'Isoleucine or valine' 0 C--N 1.346 0.42 0 C-N-CA 125.784 1.634 . . . . 0.0 113.642 -174.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -59.42 -31.47 70.29 Favored Glycine 0 C--N 1.353 1.511 0 O-C-N 120.718 -1.239 . . . . 0.0 114.3 175.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.63 -4.58 89.35 Favored Glycine 0 C--N 1.35 1.312 0 O-C-N 121.697 -0.884 . . . . 0.0 113.35 177.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -98.05 -55.7 2.7 Favored 'General case' 0 N--CA 1.445 -0.696 0 O-C-N 121.102 -1.234 . . . . 0.0 109.725 168.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 28.6 pt -70.75 -42.18 77.59 Favored 'Isoleucine or valine' 0 C--N 1.351 0.66 0 N-CA-C 115.384 1.624 . . . . 0.0 115.384 -174.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 87.9 mt -77.4 -20.63 54.37 Favored 'General case' 0 C--N 1.354 0.785 0 O-C-N 119.345 -2.097 . . . . 0.0 111.659 -176.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.4 m -71.91 -14.3 61.89 Favored 'General case' 0 CA--C 1.512 -0.503 0 C-N-CA 125.421 1.488 . . . . 0.0 112.671 176.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.97 -47.87 1.54 Allowed Glycine 0 C--N 1.35 1.361 0 O-C-N 121.324 -0.86 . . . . 0.0 111.908 161.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -66.86 -48.7 68.01 Favored 'General case' 0 C--N 1.35 0.599 0 N-CA-C 115.388 1.625 . . . . 0.0 115.388 -171.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm -74.68 -36.79 62.78 Favored 'General case' 0 C--N 1.35 0.592 0 O-C-N 119.673 -1.892 . . . . 0.0 111.396 177.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.8 m -59.85 -43.55 94.59 Favored 'General case' 0 CA--C 1.511 -0.555 0 C-N-CA 124.701 1.201 . . . . 0.0 112.709 175.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.79 -48.28 75.03 Favored 'General case' 0 C--N 1.347 0.487 0 O-C-N 120.08 -1.638 . . . . 0.0 113.191 170.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 46.2 tp -62.91 -41.81 99.57 Favored 'General case' 0 C--N 1.349 0.571 0 N-CA-C 115.517 1.673 . . . . 0.0 115.517 -175.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -146.3 17.69 1.36 Allowed 'General case' 0 N--CA 1.45 -0.467 0 O-C-N 120.008 -1.682 . . . . 0.0 113.862 -174.097 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -100.81 -78.82 1.38 Allowed Glycine 0 C--N 1.346 1.1 0 N-CA-C 107.344 -2.302 . . . . 0.0 107.344 159.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.76 -41.84 87.48 Favored 'General case' 0 N--CA 1.451 -0.421 0 O-C-N 120.989 -1.301 . . . . 0.0 113.595 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.15 12.96 16.34 Favored 'General case' 0 N--CA 1.447 -0.582 0 O-C-N 120.456 -1.403 . . . . 0.0 112.505 174.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.66 -50.4 6.28 Favored 'General case' 0 C--N 1.353 0.757 0 O-C-N 119.546 -1.971 . . . . 0.0 107.849 150.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -59.83 -44.77 93.89 Favored 'General case' 0 C--N 1.355 0.826 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 -176.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 43.6 tp -60.89 -32.7 72.14 Favored 'General case' 0 C--N 1.347 0.485 0 O-C-N 120.853 -1.155 . . . . 0.0 113.603 175.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -98.46 2.08 47.36 Favored 'General case' 0 N--CA 1.445 -0.723 0 O-C-N 120.667 -1.271 . . . . 0.0 112.125 -177.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 t -65.02 -33.91 77.16 Favored 'General case' 0 CA--C 1.509 -0.633 0 N-CA-C 114.835 1.42 . . . . 0.0 114.835 -162.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.3 m -94.54 2.47 55.68 Favored 'General case' 0 C--N 1.342 0.271 0 CA-C-O 121.873 0.844 . . . . 0.0 110.771 -176.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -124.3 -37.64 2.52 Favored 'General case' 0 C--N 1.348 0.514 0 O-C-N 120.723 -1.235 . . . . 0.0 111.201 -170.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -109.14 0.32 19.74 Favored 'General case' 0 C--N 1.347 0.48 0 C-N-CA 123.918 0.887 . . . . 0.0 109.583 177.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 62.3 m-70 . . . . . 0 C--N 1.349 0.553 0 N-CA-C 116.094 1.887 . . . . 0.0 116.094 171.514 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.498 -1.002 0 N-CA-C 110.356 -1.097 . . . . 0.0 110.356 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.1 tt -58.58 -36.48 59.87 Favored 'Isoleucine or valine' 0 C--N 1.346 0.418 0 C-N-CA 125.788 1.635 . . . . 0.0 113.728 -174.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -59.39 -31.72 70.82 Favored Glycine 0 C--N 1.353 1.514 0 O-C-N 120.737 -1.227 . . . . 0.0 114.386 175.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.75 -4.84 89.53 Favored Glycine 0 C--N 1.35 1.308 0 O-C-N 121.69 -0.888 . . . . 0.0 113.341 177.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -97.43 -54.91 2.99 Favored 'General case' 0 N--CA 1.445 -0.718 0 O-C-N 121.102 -1.234 . . . . 0.0 109.835 168.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 28.4 pt -71.49 -42.84 72.7 Favored 'Isoleucine or valine' 0 C--N 1.352 0.684 0 N-CA-C 115.434 1.642 . . . . 0.0 115.434 -174.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 87.4 mt -76.31 -20.52 57.21 Favored 'General case' 0 C--N 1.354 0.778 0 O-C-N 119.406 -2.058 . . . . 0.0 111.61 -176.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.0 m -70.89 -13.53 62.06 Favored 'General case' 0 CA--C 1.513 -0.473 0 C-N-CA 126.133 1.773 . . . . 0.0 112.928 176.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.55 -48.78 1.16 Allowed Glycine 0 C--N 1.351 1.391 0 O-C-N 121.328 -0.858 . . . . 0.0 111.92 158.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -64.33 -40.82 96.66 Favored 'General case' 0 C--N 1.349 0.557 0 N-CA-C 115.568 1.692 . . . . 0.0 115.568 -169.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.9 mmtm -101.34 -18.73 15.93 Favored 'General case' 0 C--N 1.346 0.429 0 O-C-N 119.53 -1.981 . . . . 0.0 111.789 178.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 49.9 m -63.08 -38.18 90.17 Favored 'General case' 0 CA--C 1.511 -0.527 0 C-N-CA 124.202 1.001 . . . . 0.0 112.054 166.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.11 -44.52 94.79 Favored 'General case' 0 N--CA 1.448 -0.555 0 O-C-N 119.934 -1.729 . . . . 0.0 113.323 171.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.2 tp -76.28 -50.01 15.5 Favored 'General case' 0 C--N 1.348 0.524 0 N-CA-C 115.456 1.65 . . . . 0.0 115.456 -179.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.06 3.62 22.24 Favored 'General case' 0 C--N 1.35 0.618 0 O-C-N 120.17 -1.581 . . . . 0.0 111.149 -170.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -104.59 -83.96 1.73 Allowed Glycine 0 CA--C 1.496 -1.135 0 N-CA-C 107.948 -2.061 . . . . 0.0 107.948 162.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.43 -51.79 66.14 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 116.12 1.896 . . . . 0.0 116.12 -170.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.39 -49.21 64.85 Favored 'General case' 0 C--N 1.35 0.597 0 N-CA-C 115.441 1.645 . . . . 0.0 115.441 -172.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.16 -41.03 82.14 Favored 'General case' 0 C--N 1.351 0.652 0 O-C-N 120.54 -1.35 . . . . 0.0 113.01 179.444 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -74.36 -36.98 63.61 Favored 'General case' 0 C--N 1.347 0.476 0 O-C-N 120.252 -1.53 . . . . 0.0 113.345 -178.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 47.8 tp -62.76 -39.57 94.57 Favored 'General case' 0 C--N 1.353 0.748 0 O-C-N 120.215 -1.553 . . . . 0.0 112.977 170.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.96 18.33 6.79 Favored 'General case' 0 N--CA 1.445 -0.71 0 O-C-N 120.385 -1.447 . . . . 0.0 112.607 179.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.9 t -70.88 -17.38 62.72 Favored 'General case' 0 C--N 1.352 0.687 0 O-C-N 119.988 -1.695 . . . . 0.0 114.479 -169.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.9 m -72.66 -20.08 61.32 Favored 'General case' 0 C--N 1.342 0.28 0 O-C-N 121.168 -0.958 . . . . 0.0 111.807 173.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -116.81 -36.19 3.94 Favored 'General case' 0 C--N 1.349 0.562 0 O-C-N 120.993 -1.067 . . . . 0.0 110.969 -170.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -106.48 3.36 27.12 Favored 'General case' 0 C--N 1.348 0.533 0 C-N-CA 124.024 0.929 . . . . 0.0 110.842 -177.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 . . . . . 0 C--N 1.348 0.539 0 N-CA-C 116.645 2.091 . . . . 0.0 116.645 170.582 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.498 -1.015 0 N-CA-C 110.379 -1.089 . . . . 0.0 110.379 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.5 tt -59.03 -37.53 68.37 Favored 'Isoleucine or valine' 0 C--N 1.346 0.414 0 C-N-CA 125.504 1.521 . . . . 0.0 113.492 -175.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.55 -30.13 61.75 Favored Glycine 0 C--N 1.353 1.526 0 C-N-CA 125.252 1.406 . . . . 0.0 114.099 176.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.41 -1.21 75.06 Favored Glycine 0 C--N 1.349 1.293 0 C-N-CA 124.799 1.19 . . . . 0.0 114.117 -178.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.01 -28.51 2.64 Favored 'General case' 0 N--CA 1.449 -0.491 0 O-C-N 121.009 -1.289 . . . . 0.0 112.64 168.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 30.2 pt -72.83 -43.24 60.64 Favored 'Isoleucine or valine' 0 C--N 1.356 0.871 0 O-C-N 119.534 -1.979 . . . . 0.0 113.799 172.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 86.6 mt -75.95 -21.19 57.27 Favored 'General case' 0 C--N 1.355 0.835 0 O-C-N 119.55 -1.969 . . . . 0.0 111.466 -178.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.8 m -69.69 -14.09 62.63 Favored 'General case' 0 CA--C 1.514 -0.438 0 C-N-CA 126.487 1.915 . . . . 0.0 113.206 177.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.43 -48.87 1.08 Allowed Glycine 0 C--N 1.352 1.417 0 O-C-N 121.324 -0.86 . . . . 0.0 112.016 157.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -64.12 -34.28 77.68 Favored 'General case' 0 C--N 1.348 0.538 0 N-CA-C 115.554 1.687 . . . . 0.0 115.554 -168.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.2 mmtm -109.15 -18.52 13.61 Favored 'General case' 0 C--N 1.345 0.405 0 O-C-N 118.95 -2.343 . . . . 0.0 112.802 174.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 45.8 m -61.98 -39.14 91.16 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-N 119.515 1.052 . . . . 0.0 112.087 167.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.43 -37.28 70.02 Favored 'General case' 0 C--N 1.348 0.503 0 O-C-N 120.062 -1.649 . . . . 0.0 113.339 173.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 50.1 tp -77.76 -48.2 17.19 Favored 'General case' 0 C--N 1.347 0.466 0 N-CA-C 114.651 1.352 . . . . 0.0 114.651 174.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -117.39 4.63 12.52 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 120.906 -1.121 . . . . 0.0 113.891 -164.258 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -115.4 -19.65 5.75 Favored Glycine 0 C--N 1.34 0.757 0 O-C-N 119.732 -1.855 . . . . 0.0 111.66 164.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -117.83 -75.55 0.58 Allowed 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 123.623 0.769 . . . . 0.0 111.715 -177.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.72 -45.85 90.9 Favored 'General case' 0 C--N 1.352 0.675 0 N-CA-C 117.004 2.224 . . . . 0.0 117.004 -166.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.77 -37.33 86.05 Favored 'General case' 0 C--N 1.352 0.703 0 O-C-N 120.073 -1.642 . . . . 0.0 112.797 175.336 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -69.53 -41.89 75.36 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 125.498 1.519 . . . . 0.0 112.507 178.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 50.9 tp -61.24 -40.18 93.06 Favored 'General case' 0 C--N 1.346 0.415 0 C-N-CA 125.295 1.438 . . . . 0.0 113.01 171.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.0 4.16 52.8 Favored 'General case' 0 N--CA 1.446 -0.645 0 O-C-N 120.519 -1.363 . . . . 0.0 112.768 -179.157 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 t -61.86 -37.35 84.18 Favored 'General case' 0 C--N 1.352 0.706 0 C-N-CA 124.713 1.205 . . . . 0.0 113.683 -170.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.8 m -59.83 -37.49 79.35 Favored 'General case' 0 CA--C 1.516 -0.352 0 C-N-CA 125.541 1.537 . . . . 0.0 113.002 175.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -102.84 -27.16 12.83 Favored 'General case' 0 C--N 1.346 0.44 0 O-C-N 121.374 -0.829 . . . . 0.0 112.594 -167.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.0 mp -109.68 -11.13 14.78 Favored 'General case' 0 C--N 1.347 0.496 0 O-C-N 121.061 -1.025 . . . . 0.0 111.545 -177.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 35.3 m80 . . . . . 0 CA--C 1.511 -0.55 0 O-C-N 120.521 -1.362 . . . . 0.0 111.109 -171.636 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.087 0 N-CA-C 110.411 -1.076 . . . . 0.0 110.411 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.0 tt -57.99 -38.53 67.38 Favored 'Isoleucine or valine' 0 C--N 1.345 0.383 0 C-N-CA 125.895 1.678 . . . . 0.0 113.72 -173.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -59.76 -30.79 69.93 Favored Glycine 0 C--N 1.353 1.506 0 O-C-N 120.6 -1.313 . . . . 0.0 114.206 176.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.3 -5.42 85.46 Favored Glycine 0 C--N 1.348 1.249 0 O-C-N 121.28 -1.13 . . . . 0.0 113.798 -177.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.63 15.1 13.64 Favored 'General case' 0 N--CA 1.449 -0.512 0 O-C-N 121.093 -1.24 . . . . 0.0 112.168 172.25 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 22.3 pt -128.62 -41.56 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.83 0 O-C-N 121.185 -0.947 . . . . 0.0 112.456 166.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 94.7 mt -66.58 -33.49 75.78 Favored 'General case' 0 C--N 1.354 0.78 0 O-C-N 119.588 -1.945 . . . . 0.0 111.92 -179.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.3 m -63.32 -11.83 25.1 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 127.648 2.379 . . . . 0.0 114.59 175.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.69 -49.2 0.97 Allowed Glycine 0 C--N 1.352 1.422 0 O-C-N 121.179 -0.951 . . . . 0.0 111.616 159.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -62.62 -39.25 93.22 Favored 'General case' 0 C--N 1.348 0.531 0 N-CA-C 115.624 1.713 . . . . 0.0 115.624 -169.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.2 mmtm -105.71 -15.84 14.85 Favored 'General case' 0 C--N 1.347 0.473 0 O-C-N 119.617 -1.927 . . . . 0.0 112.32 176.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 57.5 m -63.23 -39.64 95.18 Favored 'General case' 0 CA--C 1.511 -0.554 0 O-C-N 121.105 -0.997 . . . . 0.0 111.676 166.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.85 -41.1 77.31 Favored 'General case' 0 C--N 1.348 0.509 0 O-C-N 120.236 -1.54 . . . . 0.0 113.161 173.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 48.9 tp -73.52 -49.85 24.47 Favored 'General case' 0 C--N 1.346 0.448 0 N-CA-C 114.948 1.462 . . . . 0.0 114.948 173.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.4 -3.51 16.08 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 120.256 -1.527 . . . . 0.0 113.685 -164.276 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -114.0 -19.98 6.18 Favored Glycine 0 CA--C 1.5 -0.851 0 O-C-N 119.885 -1.759 . . . . 0.0 111.885 171.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -115.1 -75.76 0.58 Allowed 'General case' 0 N--CA 1.445 -0.711 0 O-C-N 121.901 -0.764 . . . . 0.0 111.049 177.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.55 -44.77 89.77 Favored 'General case' 0 C--N 1.351 0.652 0 N-CA-C 116.743 2.127 . . . . 0.0 116.743 -164.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? -62.94 -43.66 98.19 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 120.442 -1.411 . . . . 0.0 112.907 174.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -70.94 -36.76 72.73 Favored 'General case' 0 C--N 1.346 0.419 0 O-C-N 120.922 -1.111 . . . . 0.0 112.83 -178.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.2 tt -60.42 -40.84 92.47 Favored 'General case' 0 C--N 1.347 0.474 0 C-N-CA 124.992 1.317 . . . . 0.0 112.538 170.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -92.68 12.82 22.0 Favored 'General case' 0 N--CA 1.446 -0.652 0 O-C-N 120.57 -1.331 . . . . 0.0 112.762 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.0 t -60.64 -31.88 71.07 Favored 'General case' 0 C--N 1.353 0.727 0 O-C-N 120.491 -1.381 . . . . 0.0 114.562 -170.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.3 m -58.22 -38.92 77.74 Favored 'General case' 0 C--N 1.342 0.281 0 C-N-CA 124.737 1.215 . . . . 0.0 113.006 174.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -105.21 -21.95 13.16 Favored 'General case' 0 C--N 1.347 0.481 0 O-C-N 121.16 -0.963 . . . . 0.0 112.423 -171.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -112.5 7.81 19.12 Favored 'General case' 0 C--N 1.349 0.551 0 O-C-N 120.894 -1.129 . . . . 0.0 110.901 -176.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.9 t-160 . . . . . 0 CA--C 1.512 -0.491 0 O-C-N 120.332 -1.48 . . . . 0.0 109.806 178.944 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.055 0 N-CA-C 110.39 -1.084 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.9 tt -58.78 -36.77 62.48 Favored 'Isoleucine or valine' 0 C--N 1.346 0.449 0 C-N-CA 125.634 1.574 . . . . 0.0 113.619 -174.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.15 -31.47 62.04 Favored Glycine 0 C--N 1.353 1.528 0 O-C-N 120.667 -1.271 . . . . 0.0 114.051 175.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.45 -2.3 84.08 Favored Glycine 0 C--N 1.349 1.272 0 C-N-CA 124.694 1.14 . . . . 0.0 114.21 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.54 -20.95 4.99 Favored 'General case' 0 C--N 1.348 0.509 0 O-C-N 120.904 -1.351 . . . . 0.0 112.906 170.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 27.8 pt -84.73 -44.07 17.42 Favored 'Isoleucine or valine' 0 C--N 1.355 0.829 0 O-C-N 120.197 -1.564 . . . . 0.0 113.203 171.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 87.2 mt -76.17 -22.19 55.67 Favored 'General case' 0 C--N 1.355 0.829 0 O-C-N 119.413 -2.055 . . . . 0.0 111.545 -176.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.7 m -69.71 -12.88 61.98 Favored 'General case' 0 CA--C 1.514 -0.442 0 C-N-CA 126.495 1.918 . . . . 0.0 113.247 175.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.58 -48.44 1.19 Allowed Glycine 0 C--N 1.352 1.42 0 O-C-N 121.405 -0.809 . . . . 0.0 111.576 159.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.4 tt -63.75 -42.75 97.8 Favored 'General case' 0 C--N 1.348 0.509 0 N-CA-C 115.783 1.771 . . . . 0.0 115.783 -170.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.4 mmtm -99.27 -19.4 17.1 Favored 'General case' 0 C--N 1.346 0.44 0 O-C-N 119.704 -1.873 . . . . 0.0 111.446 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.4 m -63.38 -39.35 94.28 Favored 'General case' 0 CA--C 1.51 -0.563 0 C-N-CA 124.165 0.986 . . . . 0.0 111.975 166.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.01 -45.78 93.42 Favored 'General case' 0 N--CA 1.448 -0.527 0 O-C-N 119.942 -1.723 . . . . 0.0 113.197 171.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.8 tp -73.17 -49.44 28.13 Favored 'General case' 0 C--N 1.348 0.502 0 N-CA-C 115.921 1.823 . . . . 0.0 115.921 -178.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.18 4.39 16.51 Favored 'General case' 0 C--N 1.35 0.619 0 O-C-N 120.07 -1.643 . . . . 0.0 111.222 -171.169 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -102.89 -81.43 1.54 Allowed Glycine 0 CA--C 1.495 -1.167 0 N-CA-C 107.909 -2.076 . . . . 0.0 107.909 163.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.73 -52.47 56.85 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 116.225 1.935 . . . . 0.0 116.225 -172.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.09 -48.85 66.94 Favored 'General case' 0 C--N 1.35 0.622 0 N-CA-C 116.044 1.868 . . . . 0.0 116.044 -168.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.69 -40.0 84.4 Favored 'General case' 0 C--N 1.35 0.615 0 O-C-N 120.464 -1.397 . . . . 0.0 112.888 179.651 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.3 mp0 -74.26 -37.2 63.82 Favored 'General case' 0 C--N 1.346 0.438 0 O-C-N 120.395 -1.441 . . . . 0.0 113.049 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.2 tt -63.37 -41.54 98.82 Favored 'General case' 0 C--N 1.353 0.731 0 O-C-N 120.086 -1.634 . . . . 0.0 112.893 170.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.6 18.11 6.72 Favored 'General case' 0 N--CA 1.447 -0.581 0 O-C-N 120.346 -1.471 . . . . 0.0 112.392 -179.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.4 t -68.97 -16.13 63.66 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 120.382 -1.449 . . . . 0.0 114.268 -169.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.6 m -59.85 -36.59 77.18 Favored 'General case' 0 C--N 1.342 0.27 0 C-N-CA 124.551 1.14 . . . . 0.0 112.831 170.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -123.33 -27.09 4.16 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 121.19 -0.944 . . . . 0.0 112.908 -171.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -107.87 18.36 21.39 Favored 'General case' 0 C--N 1.347 0.493 0 O-C-N 120.229 -1.544 . . . . 0.0 111.189 -172.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 60.9 t60 . . . . . 0 C--N 1.347 0.48 0 O-C-N 119.891 -1.756 . . . . 0.0 112.254 177.828 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.043 0 N-CA-C 110.282 -1.127 . . . . 0.0 110.282 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.5 tt -59.05 -37.27 66.89 Favored 'Isoleucine or valine' 0 C--N 1.346 0.421 0 C-N-CA 125.565 1.546 . . . . 0.0 113.471 -175.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.49 -30.0 61.41 Favored Glycine 0 C--N 1.354 1.576 0 C-N-CA 125.306 1.431 . . . . 0.0 114.105 176.084 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.47 -1.51 76.51 Favored Glycine 0 C--N 1.349 1.299 0 C-N-CA 124.784 1.183 . . . . 0.0 114.13 -178.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.35 -29.61 2.7 Favored 'General case' 0 C--N 1.348 0.51 0 O-C-N 121.114 -1.227 . . . . 0.0 112.494 168.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 29.3 pt -72.01 -42.66 68.19 Favored 'Isoleucine or valine' 0 C--N 1.356 0.884 0 O-C-N 119.539 -1.976 . . . . 0.0 113.736 173.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 86.6 mt -77.18 -22.97 51.6 Favored 'General case' 0 C--N 1.354 0.78 0 O-C-N 119.61 -1.931 . . . . 0.0 111.659 -179.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.8 m -71.67 -15.37 62.22 Favored 'General case' 0 CA--C 1.512 -0.491 0 C-N-CA 125.653 1.581 . . . . 0.0 112.92 178.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.51 -47.11 1.71 Allowed Glycine 0 C--N 1.35 1.344 0 O-C-N 121.352 -0.843 . . . . 0.0 111.587 161.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.9 tt -65.98 -46.66 77.24 Favored 'General case' 0 C--N 1.348 0.528 0 N-CA-C 115.685 1.735 . . . . 0.0 115.685 -172.251 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.6 mmtm -83.05 -25.99 31.58 Favored 'General case' 0 C--N 1.348 0.516 0 O-C-N 119.607 -1.933 . . . . 0.0 111.556 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 32.8 m -62.88 -45.42 92.65 Favored 'General case' 0 CA--C 1.511 -0.529 0 C-N-CA 124.039 0.936 . . . . 0.0 111.808 170.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.86 -45.78 80.87 Favored 'General case' 0 C--N 1.348 0.529 0 O-C-N 120.436 -1.415 . . . . 0.0 113.595 170.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.5 tp -64.2 -40.24 95.67 Favored 'General case' 0 C--N 1.35 0.598 0 N-CA-C 115.524 1.675 . . . . 0.0 115.524 -176.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.31 -26.99 0.98 Allowed 'General case' 0 C--N 1.351 0.656 0 O-C-N 120.304 -1.497 . . . . 0.0 114.685 -177.421 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.37 -59.52 9.47 Favored Glycine 0 C--N 1.354 1.567 0 CA-C-N 121.887 2.13 . . . . 0.0 115.457 164.319 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.77 -35.41 80.5 Favored 'General case' 0 N--CA 1.449 -0.485 0 O-C-N 120.761 -1.435 . . . . 0.0 112.299 177.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -88.39 14.01 10.55 Favored 'General case' 0 N--CA 1.444 -0.741 0 O-C-N 120.922 -1.111 . . . . 0.0 112.548 178.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -94.07 -60.77 1.66 Allowed 'General case' 0 C--N 1.349 0.553 0 N-CA-C 106.853 -1.536 . . . . 0.0 106.853 150.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.05 -36.9 83.0 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 -166.442 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -102.51 -0.89 31.55 Favored 'General case' 0 C--N 1.346 0.447 0 O-C-N 120.768 -1.208 . . . . 0.0 112.817 176.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -137.11 9.04 2.98 Favored 'General case' 0 C--N 1.354 0.769 0 N-CA-C 116.019 1.859 . . . . 0.0 116.019 -174.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.2 m -63.63 -36.98 85.63 Favored 'General case' 0 C--N 1.349 0.577 0 O-C-N 119.868 -1.77 . . . . 0.0 112.401 176.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.0 m -57.38 -39.64 76.49 Favored 'General case' 0 C--N 1.344 0.35 0 C-N-CA 125.385 1.474 . . . . 0.0 113.316 176.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -100.49 -12.6 19.19 Favored 'General case' 0 C--N 1.347 0.492 0 O-C-N 121.076 -1.015 . . . . 0.0 112.796 -168.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -115.81 3.93 13.86 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 121.101 -0.999 . . . . 0.0 110.67 178.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 . . . . . 0 CA--C 1.511 -0.521 0 O-C-N 120.795 -1.191 . . . . 0.0 109.63 179.892 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.059 0 N-CA-C 109.994 -1.242 . . . . 0.0 109.994 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.4 tt -60.28 -38.1 76.23 Favored 'Isoleucine or valine' 0 C--N 1.346 0.415 0 C-N-CA 125.402 1.481 . . . . 0.0 113.41 -178.186 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -66.21 -26.96 72.64 Favored Glycine 0 C--N 1.351 1.407 0 C-N-CA 124.148 0.88 . . . . 0.0 114.257 173.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.2 -40.84 70.7 Favored Glycine 0 C--N 1.349 1.256 0 O-C-N 120.71 -1.465 . . . . 0.0 113.167 -173.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.75 -42.04 91.4 Favored 'General case' 0 C--N 1.346 0.446 0 O-C-N 121.11 -1.229 . . . . 0.0 114.02 176.274 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 38.3 pt -68.57 -42.33 83.46 Favored 'Isoleucine or valine' 0 C--N 1.354 0.792 0 O-C-N 120.267 -1.521 . . . . 0.0 113.276 174.156 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 79.7 mt -64.01 -39.91 95.17 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 120.33 -1.481 . . . . 0.0 113.158 175.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.3 t -60.71 -45.23 95.01 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 123.541 0.736 . . . . 0.0 112.709 174.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.55 -41.5 84.19 Favored Glycine 0 C--N 1.353 1.511 0 O-C-N 120.53 -1.357 . . . . 0.0 113.279 177.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.92 -46.73 83.48 Favored 'General case' 0 C--N 1.347 0.499 0 O-C-N 121.441 -1.035 . . . . 0.0 112.898 175.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -66.41 -40.61 89.67 Favored 'General case' 0 C--N 1.35 0.59 0 O-C-N 120.114 -1.616 . . . . 0.0 113.236 175.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 92.8 m -61.61 -44.42 97.03 Favored 'General case' 0 C--N 1.348 0.528 0 O-C-N 121.477 -0.765 . . . . 0.0 111.843 176.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.71 -47.22 81.99 Favored 'General case' 0 N--CA 1.449 -0.498 0 O-C-N 120.427 -1.421 . . . . 0.0 113.729 173.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.4 tp -66.84 -42.38 85.88 Favored 'General case' 0 C--N 1.347 0.496 0 N-CA-C 115.563 1.69 . . . . 0.0 115.563 -178.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -154.67 22.44 0.46 Allowed 'General case' 0 N--CA 1.45 -0.455 0 O-C-N 119.762 -1.836 . . . . 0.0 112.665 -168.035 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -105.66 -76.37 1.04 Allowed Glycine 0 C--N 1.348 1.247 0 N-CA-C 108.273 -1.931 . . . . 0.0 108.273 164.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.5 -41.92 95.31 Favored 'General case' 0 N--CA 1.449 -0.505 0 O-C-N 120.669 -1.489 . . . . 0.0 112.358 174.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.54 17.98 6.81 Favored 'General case' 0 N--CA 1.448 -0.573 0 O-C-N 120.832 -1.168 . . . . 0.0 112.4 174.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.9 tttm -93.25 -58.78 2.2 Favored 'General case' 0 C--N 1.349 0.578 0 O-C-N 120.265 -1.522 . . . . 0.0 108.063 150.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.56 -43.17 97.55 Favored 'General case' 0 C--N 1.345 0.396 0 N-CA-C 114.986 1.476 . . . . 0.0 114.986 -174.17 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 34.4 tp -74.13 -17.19 60.96 Favored 'General case' 0 C--N 1.347 0.484 0 O-C-N 120.166 -1.584 . . . . 0.0 112.624 177.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -106.11 -1.96 23.17 Favored 'General case' 0 N--CA 1.444 -0.756 0 O-C-N 120.442 -1.411 . . . . 0.0 112.325 -178.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.4 t -62.16 -40.62 96.59 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 120.863 -1.148 . . . . 0.0 113.878 -164.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.3 m -59.54 -38.59 81.46 Favored 'General case' 0 C--N 1.345 0.406 0 C-N-CA 125.399 1.48 . . . . 0.0 112.674 175.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -93.55 -0.89 56.08 Favored 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 120.892 -1.13 . . . . 0.0 111.432 -168.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -112.65 12.96 19.86 Favored 'General case' 0 C--N 1.345 0.395 0 C-N-CA 124.909 1.284 . . . . 0.0 108.192 168.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 60.3 t-80 . . . . . 0 N--CA 1.448 -0.533 0 O-C-N 120.927 -1.108 . . . . 0.0 109.75 179.471 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.04 0 N-CA-C 110.374 -1.091 . . . . 0.0 110.374 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.0 tt -58.39 -35.35 53.61 Favored 'Isoleucine or valine' 0 C--N 1.345 0.401 0 C-N-CA 125.939 1.695 . . . . 0.0 113.653 -174.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.69 -31.89 68.41 Favored Glycine 0 C--N 1.353 1.499 0 O-C-N 120.857 -1.152 . . . . 0.0 114.484 175.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.5 -4.74 89.3 Favored Glycine 0 C--N 1.35 1.313 0 O-C-N 121.692 -0.887 . . . . 0.0 113.308 177.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 54.4 tttp -98.54 -55.79 2.64 Favored 'General case' 0 N--CA 1.444 -0.744 0 O-C-N 121.169 -1.195 . . . . 0.0 109.807 168.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 27.6 pt -70.51 -42.21 78.18 Favored 'Isoleucine or valine' 0 C--N 1.352 0.687 0 N-CA-C 115.365 1.617 . . . . 0.0 115.365 -174.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 83.7 mt -77.49 -20.56 54.16 Favored 'General case' 0 C--N 1.353 0.755 0 O-C-N 119.501 -1.999 . . . . 0.0 111.614 -176.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.2 m -72.05 -14.38 61.85 Favored 'General case' 0 CA--C 1.513 -0.477 0 C-N-CA 125.568 1.547 . . . . 0.0 112.733 176.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.01 -48.74 1.32 Allowed Glycine 0 C--N 1.351 1.366 0 O-C-N 121.304 -0.873 . . . . 0.0 111.696 160.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -66.58 -47.26 73.3 Favored 'General case' 0 C--N 1.348 0.543 0 N-CA-C 115.23 1.567 . . . . 0.0 115.23 -171.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.7 mmtm -85.46 -23.13 27.95 Favored 'General case' 0 C--N 1.348 0.504 0 O-C-N 119.472 -2.018 . . . . 0.0 111.383 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 45.2 m -62.63 -45.97 90.38 Favored 'General case' 0 CA--C 1.512 -0.513 0 O-C-N 121.205 -0.935 . . . . 0.0 111.709 169.011 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.12 -47.07 75.33 Favored 'General case' 0 C--N 1.348 0.522 0 O-C-N 120.399 -1.438 . . . . 0.0 113.598 171.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 29.1 tp -74.34 -20.35 60.13 Favored 'General case' 0 C--N 1.349 0.562 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 -172.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -143.32 -21.37 0.62 Allowed 'General case' 0 C--N 1.349 0.576 0 O-C-N 119.649 -1.907 . . . . 0.0 115.721 178.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.28 -57.65 3.59 Favored Glycine 0 C--N 1.352 1.448 0 CA-C-N 121.021 1.737 . . . . 0.0 112.55 171.069 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.3 -40.57 96.71 Favored 'General case' 0 C--N 1.346 0.434 0 O-C-N 120.497 -1.59 . . . . 0.0 111.396 174.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -83.79 24.1 0.92 Allowed 'General case' 0 N--CA 1.443 -0.797 0 O-C-N 121.273 -0.892 . . . . 0.0 113.097 170.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.404 ' NZ ' ' OE2' ' A' ' 20' ' ' GLU . 1.9 ttpm? -101.64 -60.85 1.46 Allowed 'General case' 0 C--N 1.35 0.604 0 O-C-N 119.049 -2.282 . . . . 0.0 107.22 150.498 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.404 ' OE2' ' NZ ' ' A' ' 19' ' ' LYS . 1.7 mp0 -57.17 -41.59 79.55 Favored 'General case' 0 C--N 1.343 0.321 0 N-CA-C 115.061 1.504 . . . . 0.0 115.061 -175.24 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 35.7 tp -75.97 -17.71 59.61 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 120.491 -1.381 . . . . 0.0 112.875 175.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -100.91 -21.78 14.99 Favored 'General case' 0 N--CA 1.448 -0.574 0 O-C-N 120.03 -1.669 . . . . 0.0 113.029 -176.003 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.8 m -60.83 -32.45 71.83 Favored 'General case' 0 C--N 1.349 0.585 0 O-C-N 120.31 -1.494 . . . . 0.0 113.253 -178.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.0 m -56.75 -37.31 70.85 Favored 'General case' 0 C--N 1.342 0.258 0 C-N-CA 124.61 1.164 . . . . 0.0 113.277 172.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -107.52 -25.9 11.17 Favored 'General case' 0 C--N 1.349 0.55 0 O-C-N 121.271 -0.893 . . . . 0.0 112.924 -171.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -109.76 -4.79 15.86 Favored 'General case' 0 C--N 1.349 0.578 0 O-C-N 120.783 -1.198 . . . . 0.0 111.959 -176.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 31.3 m170 . . . . . 0 CA--C 1.509 -0.606 0 O-C-N 120.379 -1.45 . . . . 0.0 109.871 177.872 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.038 0 N-CA-C 110.289 -1.124 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.5 tt -59.05 -37.34 67.37 Favored 'Isoleucine or valine' 0 C--N 1.345 0.4 0 C-N-CA 125.527 1.531 . . . . 0.0 113.446 -176.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.75 -29.6 61.71 Favored Glycine 0 C--N 1.354 1.557 0 C-N-CA 125.256 1.408 . . . . 0.0 114.057 175.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.39 -1.43 75.77 Favored Glycine 0 C--N 1.349 1.299 0 C-N-CA 124.827 1.203 . . . . 0.0 114.081 -179.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.54 -29.69 2.64 Favored 'General case' 0 C--N 1.348 0.504 0 O-C-N 121.128 -1.219 . . . . 0.0 112.65 168.574 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 29.1 pt -72.32 -42.82 65.52 Favored 'Isoleucine or valine' 0 C--N 1.356 0.872 0 O-C-N 119.467 -2.021 . . . . 0.0 113.696 173.18 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 87.4 mt -77.67 -22.39 50.63 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 119.503 -1.998 . . . . 0.0 111.453 -179.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.6 m -71.92 -14.74 62.01 Favored 'General case' 0 CA--C 1.512 -0.508 0 C-N-CA 125.506 1.522 . . . . 0.0 112.918 177.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.67 -46.99 1.86 Allowed Glycine 0 C--N 1.35 1.347 0 O-C-N 121.347 -0.845 . . . . 0.0 111.728 162.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.3 tt -66.05 -48.93 69.44 Favored 'General case' 0 C--N 1.35 0.59 0 N-CA-C 115.457 1.651 . . . . 0.0 115.457 -172.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -73.78 -37.55 64.93 Favored 'General case' 0 C--N 1.348 0.535 0 O-C-N 119.932 -1.73 . . . . 0.0 111.27 179.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.8 m -60.38 -43.41 96.63 Favored 'General case' 0 CA--C 1.511 -0.554 0 C-N-CA 125.212 1.405 . . . . 0.0 112.61 175.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.12 -47.76 78.72 Favored 'General case' 0 C--N 1.347 0.475 0 O-C-N 119.984 -1.698 . . . . 0.0 113.061 170.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 47.9 tp -62.51 -40.8 97.89 Favored 'General case' 0 C--N 1.349 0.583 0 N-CA-C 115.722 1.749 . . . . 0.0 115.722 -176.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -149.71 21.49 0.91 Allowed 'General case' 0 N--CA 1.451 -0.391 0 O-C-N 119.745 -1.847 . . . . 0.0 112.621 -173.031 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -106.62 -74.36 0.9 Allowed Glycine 0 C--N 1.346 1.115 0 N-CA-C 107.693 -2.163 . . . . 0.0 107.693 161.199 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.95 -44.42 94.42 Favored 'General case' 0 N--CA 1.45 -0.444 0 O-C-N 120.72 -1.459 . . . . 0.0 112.867 176.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.87 20.66 4.63 Favored 'General case' 0 C--N 1.349 0.561 0 O-C-N 120.538 -1.351 . . . . 0.0 112.439 173.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 37.9 tttm -92.96 -56.85 2.83 Favored 'General case' 0 C--N 1.349 0.545 0 O-C-N 120.075 -1.641 . . . . 0.0 108.347 150.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.89 -40.74 98.48 Favored 'General case' 0 C--N 1.345 0.388 0 N-CA-C 114.976 1.473 . . . . 0.0 114.976 -176.283 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 35.4 tp -74.35 -16.8 60.9 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 120.116 -1.615 . . . . 0.0 112.49 175.052 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -102.1 3.25 38.41 Favored 'General case' 0 N--CA 1.447 -0.607 0 O-C-N 120.23 -1.544 . . . . 0.0 111.605 179.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.6 p -61.26 -48.43 81.45 Favored 'General case' 0 C--N 1.348 0.525 0 N-CA-C 115.328 1.603 . . . . 0.0 115.328 -165.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 98.3 m -69.66 -45.9 67.34 Favored 'General case' 0 CA--C 1.515 -0.382 0 O-C-N 120.92 -1.113 . . . . 0.0 111.401 175.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -66.16 -40.5 90.59 Favored 'General case' 0 C--N 1.345 0.398 0 N-CA-C 115.374 1.62 . . . . 0.0 115.374 -172.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -108.81 5.52 24.67 Favored 'General case' 0 C--N 1.347 0.458 0 O-C-N 121.221 -0.924 . . . . 0.0 110.751 -176.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 21.6 t-160 . . . . . 0 CA--C 1.512 -0.486 0 O-C-N 120.732 -1.23 . . . . 0.0 109.792 179.172 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.498 -1.024 0 N-CA-C 110.412 -1.075 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.1 tt -58.61 -36.13 58.39 Favored 'Isoleucine or valine' 0 C--N 1.345 0.388 0 C-N-CA 125.835 1.654 . . . . 0.0 113.709 -174.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -59.15 -31.69 69.76 Favored Glycine 0 C--N 1.353 1.519 0 O-C-N 120.822 -1.174 . . . . 0.0 114.326 175.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.59 -5.26 89.38 Favored Glycine 0 C--N 1.35 1.317 0 O-C-N 121.584 -0.951 . . . . 0.0 113.353 177.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -96.91 -54.49 3.18 Favored 'General case' 0 N--CA 1.445 -0.69 0 O-C-N 120.944 -1.327 . . . . 0.0 109.918 167.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 30.1 pt -71.59 -43.19 71.65 Favored 'Isoleucine or valine' 0 C--N 1.351 0.65 0 N-CA-C 115.329 1.603 . . . . 0.0 115.329 -174.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 86.7 mt -76.19 -19.75 58.14 Favored 'General case' 0 C--N 1.354 0.802 0 O-C-N 119.459 -2.026 . . . . 0.0 111.681 -175.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.5 m -70.06 -14.57 62.73 Favored 'General case' 0 CA--C 1.514 -0.432 0 C-N-CA 125.802 1.641 . . . . 0.0 112.954 176.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.24 -48.59 1.13 Allowed Glycine 0 C--N 1.352 1.424 0 O-C-N 121.208 -0.933 . . . . 0.0 111.914 158.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -64.35 -35.07 79.69 Favored 'General case' 0 C--N 1.349 0.577 0 N-CA-C 115.259 1.578 . . . . 0.0 115.259 -169.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.8 mmtm -109.74 -17.8 13.59 Favored 'General case' 0 CA--C 1.514 -0.431 0 O-C-N 119.053 -2.28 . . . . 0.0 112.77 175.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 38.0 m -65.28 -47.92 75.0 Favored 'General case' 0 CA--C 1.511 -0.533 0 O-C-N 120.468 -1.395 . . . . 0.0 112.01 168.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.55 -51.02 31.45 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 120.448 -1.408 . . . . 0.0 112.147 174.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 34.3 tp -99.84 61.7 1.14 Allowed 'General case' 0 C--N 1.347 0.462 0 O-C-N 120.172 -1.58 . . . . 0.0 110.432 -175.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.1 tptm 177.77 -48.06 0.01 OUTLIER 'General case' 0 C--N 1.347 0.473 0 C-N-CA 127.732 2.413 . . . . 0.0 108.44 159.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.49 -67.96 1.68 Allowed Glycine 0 C--N 1.352 1.443 0 O-C-N 121.701 -0.624 . . . . 0.0 113.106 179.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.3 -37.93 84.98 Favored 'General case' 0 C--N 1.347 0.479 0 C-N-CA 124.83 1.252 . . . . 0.0 112.213 179.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.76 -47.13 64.26 Favored 'General case' 0 C--N 1.347 0.498 0 N-CA-C 115.307 1.595 . . . . 0.0 115.307 168.186 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.19 -40.72 82.15 Favored 'General case' 0 C--N 1.355 0.81 0 O-C-N 120.192 -1.568 . . . . 0.0 112.116 174.31 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -61.82 -49.82 74.77 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 125.41 1.484 . . . . 0.0 113.605 179.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -64.92 -42.03 95.04 Favored 'General case' 0 C--N 1.347 0.496 0 C-N-CA 125.778 1.631 . . . . 0.0 112.807 175.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.57 11.05 25.48 Favored 'General case' 0 N--CA 1.446 -0.627 0 O-C-N 120.161 -1.587 . . . . 0.0 112.334 -176.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.0 t -60.02 -39.55 86.24 Favored 'General case' 0 C--N 1.349 0.568 0 N-CA-C 114.379 1.251 . . . . 0.0 114.379 -170.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.2 m -66.14 -26.52 67.48 Favored 'General case' 0 CA--C 1.52 -0.192 0 C-N-CA 124.828 1.251 . . . . 0.0 113.127 178.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -111.81 -38.85 4.73 Favored 'General case' 0 C--N 1.347 0.478 0 O-C-N 120.996 -1.065 . . . . 0.0 111.084 -164.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -108.73 10.34 26.8 Favored 'General case' 0 C--N 1.347 0.494 0 O-C-N 120.958 -1.089 . . . . 0.0 110.114 -177.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 21.4 t-160 . . . . . 0 C--N 1.347 0.457 0 O-C-N 120.17 -1.581 . . . . 0.0 110.039 174.715 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.07 0 N-CA-C 110.315 -1.114 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -65.56 -20.27 27.13 Favored 'Isoleucine or valine' 0 C--N 1.344 0.36 0 C-N-CA 125.434 1.494 . . . . 0.0 113.458 -174.435 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.56 -31.05 66.24 Favored Glycine 0 C--N 1.353 1.513 0 C-N-CA 124.768 1.175 . . . . 0.0 113.862 171.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.3 -4.29 86.64 Favored Glycine 0 C--N 1.351 1.37 0 O-C-N 121.624 -0.927 . . . . 0.0 113.446 176.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -99.05 -56.47 2.42 Favored 'General case' 0 N--CA 1.445 -0.689 0 O-C-N 121.056 -1.261 . . . . 0.0 109.821 167.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 32.9 pt -70.16 -41.87 79.02 Favored 'Isoleucine or valine' 0 C--N 1.352 0.701 0 N-CA-C 115.548 1.684 . . . . 0.0 115.548 -174.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 81.1 mt -77.68 -20.35 53.83 Favored 'General case' 0 C--N 1.353 0.739 0 O-C-N 119.43 -2.044 . . . . 0.0 111.504 -176.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.3 m -71.84 -14.67 62.03 Favored 'General case' 0 CA--C 1.511 -0.526 0 C-N-CA 125.542 1.537 . . . . 0.0 112.779 176.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.76 -49.07 1.31 Allowed Glycine 0 C--N 1.351 1.394 0 O-C-N 121.306 -0.871 . . . . 0.0 111.688 161.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -66.48 -47.19 73.84 Favored 'General case' 0 C--N 1.349 0.559 0 N-CA-C 115.262 1.578 . . . . 0.0 115.262 -171.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.0 mmtm -84.66 -24.36 29.06 Favored 'General case' 0 C--N 1.348 0.508 0 O-C-N 119.567 -1.958 . . . . 0.0 111.4 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 34.9 m -63.15 -44.99 93.97 Favored 'General case' 0 CA--C 1.511 -0.523 0 O-C-N 121.454 -0.779 . . . . 0.0 111.952 169.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.95 -48.57 68.14 Favored 'General case' 0 C--N 1.349 0.555 0 O-C-N 120.621 -1.299 . . . . 0.0 113.61 172.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.5 tp -67.32 -32.32 73.2 Favored 'General case' 0 C--N 1.351 0.654 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -176.225 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . 0.335 0.9 OUTLIER -113.22 -64.08 1.36 Allowed 'General case' 0 CA--C 1.504 -0.79 0 O-C-N 119.802 -1.811 . . . . 0.0 115.275 175.733 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -54.89 -62.52 6.17 Favored Glycine 0 C--N 1.35 1.352 0 CA-C-N 120.298 1.408 . . . . 0.0 115.986 -177.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.51 -43.2 97.91 Favored 'General case' 0 C--N 1.345 0.385 0 O-C-N 120.294 -1.71 . . . . 0.0 112.871 -179.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.32 -46.07 65.88 Favored 'General case' 0 N--CA 1.441 -0.879 0 N-CA-C 120.326 3.454 . . . . 0.0 120.326 168.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? -63.39 -41.76 98.78 Favored 'General case' 0 C--N 1.35 0.612 1 N-CA-C 121.821 4.008 . . . . 0.0 121.821 151.749 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.42 -40.11 93.2 Favored 'General case' 0 N--CA 1.463 0.18 0 O-C-N 118.66 -2.525 . . . . 0.0 113.58 178.513 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.6 tt -65.88 -44.99 83.69 Favored 'General case' 0 N--CA 1.451 -0.396 0 O-C-N 120.916 -1.115 . . . . 0.0 113.441 167.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -94.13 5.22 52.4 Favored 'General case' 0 C--N 1.35 0.607 0 O-C-N 119.653 -1.904 . . . . 0.0 115.123 -168.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.7 m -70.47 -12.72 61.76 Favored 'General case' 0 C--N 1.349 0.565 0 O-C-N 119.505 -1.997 . . . . 0.0 113.255 177.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.6 t -76.9 -21.49 54.82 Favored 'General case' 0 C--N 1.344 0.354 0 O-C-N 120.017 -1.677 . . . . 0.0 112.663 166.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -113.98 -38.0 4.32 Favored 'General case' 0 C--N 1.352 0.677 0 O-C-N 120.593 -1.317 . . . . 0.0 113.136 -172.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -118.51 13.66 13.5 Favored 'General case' 0 C--N 1.348 0.529 0 C-N-CA 125.388 1.475 . . . . 0.0 109.322 -177.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 22.6 m80 . . . . . 0 C--O 1.239 0.543 0 N-CA-C 117.057 2.243 . . . . 0.0 117.057 168.172 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.044 0 N-CA-C 110.272 -1.131 . . . . 0.0 110.272 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.4 tt -59.1 -36.23 61.47 Favored 'Isoleucine or valine' 0 C--N 1.345 0.41 0 C-N-CA 125.554 1.541 . . . . 0.0 113.533 -176.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.78 -30.33 59.57 Favored Glycine 0 C--N 1.355 1.592 0 C-N-CA 125.318 1.437 . . . . 0.0 113.951 175.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.92 -1.35 72.69 Favored Glycine 0 C--N 1.348 1.217 0 C-N-CA 124.799 1.19 . . . . 0.0 114.118 -178.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.91 -29.89 2.78 Favored 'General case' 0 C--N 1.347 0.466 0 O-C-N 121.212 -1.169 . . . . 0.0 112.657 168.145 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 30.0 pt -71.97 -42.61 68.54 Favored 'Isoleucine or valine' 0 C--N 1.355 0.847 0 O-C-N 119.434 -2.041 . . . . 0.0 113.803 174.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.4 mt -71.89 -35.49 69.74 Favored 'General case' 0 C--N 1.354 0.802 0 O-C-N 120.065 -1.647 . . . . 0.0 111.703 177.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.8 m -67.27 -14.38 62.86 Favored 'General case' 0 C--N 1.346 0.423 0 C-N-CA 125.888 1.675 . . . . 0.0 113.577 178.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.05 -70.6 1.17 Allowed Glycine 0 C--N 1.346 1.129 0 N-CA-C 110.58 -1.008 . . . . 0.0 110.58 161.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -61.4 -46.29 90.77 Favored 'General case' 0 C--N 1.347 0.491 0 N-CA-C 115.652 1.723 . . . . 0.0 115.652 -167.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm -83.19 -23.98 32.64 Favored 'General case' 0 C--N 1.347 0.49 0 O-C-N 119.409 -2.057 . . . . 0.0 112.036 -179.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 64.8 m -62.92 -44.66 95.48 Favored 'General case' 0 CA--C 1.51 -0.592 0 O-C-N 121.101 -1.0 . . . . 0.0 111.431 168.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.79 -48.79 70.59 Favored 'General case' 0 N--CA 1.449 -0.485 0 O-C-N 120.482 -1.386 . . . . 0.0 113.666 171.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 30.4 tp -75.19 -21.56 58.62 Favored 'General case' 0 C--N 1.35 0.598 0 N-CA-C 114.898 1.444 . . . . 0.0 114.898 -171.273 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.4 tptp -132.46 -28.1 1.69 Allowed 'General case' 0 C--N 1.348 0.532 0 O-C-N 119.611 -1.93 . . . . 0.0 114.047 177.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.39 -69.16 1.42 Allowed Glycine 0 C--N 1.349 1.275 0 CA-C-N 120.344 1.429 . . . . 0.0 112.062 177.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.29 -37.53 77.92 Favored 'General case' 0 C--N 1.347 0.458 0 C-N-CA 124.975 1.31 . . . . 0.0 112.265 178.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.57 -46.88 63.59 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 125.375 1.47 . . . . 0.0 114.895 165.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.35 -46.15 89.97 Favored 'General case' 0 C--N 1.361 1.072 0 O-C-N 119.874 -1.766 . . . . 0.0 111.761 173.597 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -62.3 -44.65 96.02 Favored 'General case' 0 C--N 1.345 0.409 0 O-C-N 121.014 -1.054 . . . . 0.0 113.162 -178.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -62.59 -42.86 99.82 Favored 'General case' 0 C--N 1.348 0.514 0 C-N-CA 124.354 1.062 . . . . 0.0 113.172 172.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -92.65 9.38 35.08 Favored 'General case' 0 N--CA 1.447 -0.617 0 O-C-N 120.025 -1.672 . . . . 0.0 113.629 -173.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.6 m -60.97 -41.36 96.22 Favored 'General case' 0 CA--C 1.51 -0.583 0 O-C-N 120.541 -1.349 . . . . 0.0 113.944 -173.066 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.93 4.07 51.77 Favored 'General case' 0 C--N 1.343 0.309 0 CA-C-O 121.716 0.769 . . . . 0.0 111.116 -177.465 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -111.31 -38.3 5.03 Favored 'General case' 0 C--N 1.348 0.507 0 O-C-N 120.65 -1.281 . . . . 0.0 111.589 -178.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.8 mp -109.14 7.96 25.77 Favored 'General case' 0 C--N 1.346 0.456 0 O-C-N 121.002 -1.061 . . . . 0.0 109.8 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 63.0 t-80 . . . . . 0 N--CA 1.446 -0.663 0 O-C-N 120.802 -1.186 . . . . 0.0 108.149 173.897 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.047 0 N-CA-C 110.368 -1.093 . . . . 0.0 110.368 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.0 tt -58.29 -38.59 69.81 Favored 'Isoleucine or valine' 0 C--N 1.345 0.389 0 C-N-CA 125.807 1.643 . . . . 0.0 113.713 -173.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.34 -30.04 70.33 Favored Glycine 0 C--N 1.353 1.49 0 O-C-N 120.572 -1.33 . . . . 0.0 114.053 176.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.44 -4.71 84.88 Favored Glycine 0 C--N 1.348 1.212 0 O-C-N 121.255 -1.144 . . . . 0.0 113.765 -178.379 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.09 14.83 13.19 Favored 'General case' 0 N--CA 1.449 -0.513 0 O-C-N 121.096 -1.238 . . . . 0.0 112.194 172.225 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 20.9 pt -130.4 -37.97 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.804 0 O-C-N 121.139 -0.975 . . . . 0.0 112.454 166.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 90.2 mt -76.36 -22.46 54.82 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 119.339 -2.101 . . . . 0.0 111.411 -178.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.3 m -70.29 -11.98 61.27 Favored 'General case' 0 CA--C 1.514 -0.435 0 C-N-CA 126.221 1.809 . . . . 0.0 113.07 175.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.57 -49.33 1.12 Allowed Glycine 0 C--N 1.351 1.39 0 O-C-N 121.33 -0.856 . . . . 0.0 111.37 161.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.7 tt -65.1 -47.08 78.47 Favored 'General case' 0 C--N 1.349 0.547 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 -172.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -86.93 -22.87 25.37 Favored 'General case' 0 C--N 1.348 0.503 0 O-C-N 119.786 -1.821 . . . . 0.0 111.252 -179.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 35.4 m -63.96 -42.56 97.24 Favored 'General case' 0 CA--C 1.512 -0.514 0 C-N-CA 124.105 0.962 . . . . 0.0 111.924 168.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.09 -46.84 79.46 Favored 'General case' 0 N--CA 1.448 -0.56 0 O-C-N 120.28 -1.513 . . . . 0.0 113.366 169.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 26.6 tp -66.55 -45.39 79.54 Favored 'General case' 0 C--N 1.351 0.639 0 N-CA-C 115.721 1.749 . . . . 0.0 115.721 -177.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.2 tptp -83.12 -50.43 8.49 Favored 'General case' 0 CA--C 1.508 -0.665 0 O-C-N 119.947 -1.721 . . . . 0.0 111.044 173.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -78.82 -73.25 1.12 Allowed Glycine 0 CA--C 1.488 -1.609 0 O-C-N 121.306 -0.871 . . . . 0.0 111.625 -165.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.05 -43.77 91.73 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 -174.402 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.2 -49.01 71.41 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 115.636 1.717 . . . . 0.0 115.636 177.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.0 tptt -74.7 -40.4 61.38 Favored 'General case' 0 C--N 1.355 0.829 0 O-C-N 120.008 -1.682 . . . . 0.0 113.41 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.38 -37.23 84.8 Favored 'General case' 0 C--N 1.345 0.387 0 O-C-N 120.666 -1.271 . . . . 0.0 112.171 179.22 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 51.0 tp -63.7 -43.84 95.43 Favored 'General case' 0 C--N 1.354 0.801 0 O-C-N 119.924 -1.735 . . . . 0.0 112.759 166.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.3 37.15 0.72 Allowed 'General case' 0 N--CA 1.446 -0.66 0 O-C-N 119.992 -1.693 . . . . 0.0 112.994 176.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.2 m -59.47 -53.34 59.29 Favored 'General case' 0 C--N 1.356 0.856 0 O-C-N 120.623 -1.298 . . . . 0.0 112.683 -175.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.8 m -75.99 -46.08 31.39 Favored 'General case' 0 CA--C 1.513 -0.456 0 C-N-CA 123.766 0.826 . . . . 0.0 112.521 173.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -67.84 -42.66 81.06 Favored 'General case' 0 C--N 1.348 0.524 0 N-CA-C 115.978 1.844 . . . . 0.0 115.978 -163.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -109.73 71.03 0.75 Allowed 'General case' 0 C--N 1.346 0.45 0 N-CA-C 105.987 -1.857 . . . . 0.0 105.987 173.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 9.6 m80 . . . . . 0 C--N 1.346 0.444 0 C-N-CA 130.225 3.41 . . . . 0.0 117.091 -161.874 . . . . . . . . 0 0 . 1 stop_ save_