data_5jr0_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 5jr0 _Structure_validation_residue.Date_analyzed 2017-05-12 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 full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 16.4 ptmt . . . . . 0 N--CA 1.525 3.314 0 CA-C-O 116.83 -1.557 . . . . 2.86 114.916 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 26.5 mtpt -108.56 12.14 26.23 Favored 'General case' 0 C--N 1.38 1.914 0 N-CA-C 115.99 1.848 . . . . 2.86 115.99 -178.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 58.6 mttm -131.08 157.63 42.57 Favored 'General case' 0 N--CA 1.398 -3.048 0 N-CA-C 107.46 -1.311 . . . . 2.86 107.46 167.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.87 -1.51 83.75 Favored Glycine 0 C--N 1.38 2.986 0 CA-C-O 124.249 2.027 . . . . 2.38 113.772 -172.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 28.2 pt -105.57 -5.83 9.89 Favored 'Isoleucine or valine' 0 C--N 1.373 1.595 0 O-C-N 118.817 -2.578 . . . . 2.86 111.507 -172.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 20.8 p -69.2 -34.63 75.19 Favored 'General case' 0 C--O 1.202 -1.446 1 O-C-N 114.699 -5.001 . . . . 2.86 116.98 -174.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -68.9 -40.45 79.14 Favored 'General case' 0 C--N 1.364 1.199 0 O-C-N 117.767 -3.083 . . . . 2.86 110.82 172.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -69.37 -42.21 75.5 Favored 'General case' 0 CA--C 1.571 1.753 0 CA-C-O 114.211 -2.804 . . . . 2.86 111.805 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 88.7 m -63.07 -43.44 98.56 Favored 'General case' 0 N--CA 1.434 -1.248 0 O-C-N 125.615 1.822 . . . . 2.86 112.45 175.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 69.1 m -58.52 -45.62 88.45 Favored 'General case' 0 C--O 1.246 0.887 0 N-CA-C 115.113 1.523 . . . . 2.86 115.113 172.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -58.77 -36.18 73.98 Favored 'General case' 0 N--CA 1.501 2.093 0 N-CA-C 115.657 1.725 . . . . 2.86 115.657 168.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 10.8 mt -71.03 -31.8 46.2 Favored 'Isoleucine or valine' 0 C--O 1.274 2.387 0 O-C-N 118.847 -2.408 . . . . 2.86 115.233 173.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . 0.258 12.3 mt -66.11 -45.87 89.28 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.02 0 O-C-N 118.065 -2.897 . . . . 2.86 110.155 171.497 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 35.0 mm -60.19 -49.85 82.51 Favored 'Isoleucine or valine' 0 C--N 1.387 2.224 1 C-N-CA 132.212 4.205 . . . . 2.86 109.564 -178.091 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 68.5 m -62.85 -36.44 83.23 Favored 'General case' 0 C--O 1.192 -1.953 0 CA-C-O 124.126 1.917 . . . . 2.86 114.948 178.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . 0.257 30.2 m-85 -64.78 -44.1 91.09 Favored 'General case' 0 C--N 1.4 2.8 0 N-CA-C 115.991 1.848 . . . . 2.86 115.991 167.289 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.7 tp -64.01 -48.33 76.8 Favored 'General case' 0 C--N 1.315 -0.898 1 C-N-CA 132.33 4.252 . . . . 2.86 113.278 -178.652 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 13.0 pt -55.78 -40.73 62.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 124.78 3.445 . . . . 2.86 114.851 174.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 41.0 t -69.06 -45.48 79.95 Favored 'Isoleucine or valine' 0 C--O 1.261 1.69 0 CA-C-O 125.598 2.618 . . . . 2.86 109.369 177.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.0 t -60.94 -41.75 90.16 Favored 'Isoleucine or valine' 0 C--O 1.263 1.795 1 O-C-N 116.189 -4.069 . . . . 2.86 111.53 -178.273 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.1 m-20 -71.74 -40.43 69.39 Favored 'General case' 0 CA--C 1.473 -1.989 0 CA-C-O 124.383 2.04 . . . . 2.86 110.927 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 9.9 ttt -70.57 -38.8 74.14 Favored 'General case' 0 C--O 1.258 1.531 0 O-C-N 116.881 -3.637 . . . . 2.86 115.937 178.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -62.23 -49.18 76.76 Favored 'General case' 0 C--N 1.37 1.472 0 C-N-CA 129.411 3.084 . . . . 2.86 108.67 174.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . 0.37 10.7 pt -61.06 -20.28 21.8 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.492 0 O-C-N 118.27 -2.769 . . . . 2.86 118.312 176.566 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.05 -40.55 19.76 Favored 'General case' 0 N--CA 1.414 -2.255 0 CA-C-O 115.456 -2.211 . . . . 2.86 109.859 173.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 98.0 mt -79.27 -37.55 19.19 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 CA-C-N 120.808 1.64 . . . . 2.86 107.4 -174.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 6.8 tp -87.82 -17.3 8.67 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.032 0 O-C-N 119.139 -2.226 . . . . 2.86 109.878 -169.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 54.1 tp -70.04 -42.34 73.03 Favored 'General case' 0 CA--C 1.476 -1.88 0 O-C-N 118.286 -2.759 . . . . 2.86 108.314 163.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -64.79 -48.3 74.97 Favored 'General case' 0 C--N 1.399 2.743 0 C-N-CA 128.978 2.911 . . . . 2.86 110.064 179.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . 0.294 20.6 m-80 -62.81 -37.17 85.69 Favored 'General case' 0 N--CA 1.398 -3.036 0 O-C-N 118.946 -2.346 . . . . 2.86 114.979 175.192 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -64.53 -50.81 65.88 Favored 'General case' 0 C--O 1.259 1.603 0 CA-C-O 121.417 0.627 . . . . 2.86 109.48 174.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.3 ttpp -56.3 -39.97 73.56 Favored 'General case' 0 C--N 1.274 -2.715 0 CA-C-O 125.383 2.516 . . . . 2.86 117.008 175.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.4 tttp -66.36 -44.74 82.37 Favored 'General case' 0 CA--C 1.609 3.238 0 CA-C-O 127.267 3.413 . . . . 2.86 110.447 -179.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.16 -47.11 87.3 Favored 'General case' 0 C--N 1.292 -1.897 0 O-C-N 118.84 -2.412 . . . . 2.86 109.742 178.69 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 0.469 0 O-C-N 124.741 1.276 . . . . 2.23 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 22.2 pttp . . . . . 0 N--CA 1.533 3.689 0 CA-C-O 122.067 0.937 . . . . 2.86 112.841 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.408 ' C ' ' H ' ' A' ' 4' ' ' GLY . 27.4 mmtp -59.08 144.27 46.01 Favored 'General case' 0 N--CA 1.414 -2.236 0 N-CA-C 119.563 3.171 . . . . 2.86 119.563 172.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 24.9 mtpt -75.44 14.06 0.66 Allowed 'General case' 0 N--CA 1.499 2.019 0 O-C-N 116.885 -3.634 . . . . 2.86 113.122 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.408 ' H ' ' C ' ' A' ' 2' ' ' LYS . . . -109.67 165.46 12.4 Favored Glycine 0 C--O 1.289 3.539 0 C-N-CA 128.155 2.788 . . . . 2.38 113.34 173.087 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 10.8 tp -102.24 8.11 9.39 Favored 'Isoleucine or valine' 1 C--N 1.433 4.218 0 CA-C-N 111.329 -2.435 . . . . 2.86 107.87 -162.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 12.4 p -60.28 -32.55 71.29 Favored 'General case' 0 C--N 1.381 1.945 0 N-CA-C 118.129 2.641 . . . . 2.86 118.129 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -69.12 -35.12 76.06 Favored 'General case' 0 N--CA 1.422 -1.857 1 O-C-N 116.094 -4.129 . . . . 2.86 114.318 171.284 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -64.71 -42.02 95.58 Favored 'General case' 0 C--O 1.277 2.509 0 C-N-CA 127.303 2.241 . . . . 2.86 114.719 166.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 37.9 t -71.63 -36.53 70.76 Favored 'General case' 0 C--O 1.2 -1.538 0 O-C-N 118.601 -2.562 . . . . 2.86 110.966 177.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.5 m -63.76 -34.07 77.07 Favored 'General case' 0 C--O 1.187 -2.185 0 O-C-N 120.113 -1.617 . . . . 2.86 114.997 -178.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.495 ' HA ' HG12 ' A' ' 14' ' ' ILE . 8.1 m-85 -65.26 -29.16 69.91 Favored 'General case' 0 C--O 1.266 1.949 0 N-CA-C 117.082 2.253 . . . . 2.86 117.082 168.228 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 65.8 mt -66.57 -48.07 81.55 Favored 'Isoleucine or valine' 0 C--O 1.266 1.96 0 N-CA-C 113.762 1.023 . . . . 2.86 113.762 166.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 50.8 mt -53.91 -35.55 28.29 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.102 0 CA-C-O 115.574 -2.155 . . . . 2.86 116.445 171.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.495 HG12 ' HA ' ' A' ' 11' ' ' TYR . 29.3 pt -79.3 -28.53 13.37 Favored 'Isoleucine or valine' 0 N--CA 1.411 -2.399 0 CA-C-N 122.187 2.267 . . . . 2.86 110.087 178.278 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.5 m -66.13 -36.21 82.54 Favored 'General case' 0 CA--C 1.464 -2.363 0 O-C-N 117.649 -3.157 . . . . 2.86 116.671 168.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.8 m-30 -63.69 -47.26 81.93 Favored 'General case' 0 CA--C 1.494 -1.195 0 C-N-CA 128.821 2.849 . . . . 2.86 111.714 168.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.1 tp -51.85 -37.04 50.48 Favored 'General case' 0 C--N 1.361 1.078 0 CA-C-O 125.618 2.628 . . . . 2.86 116.486 -168.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 pt -76.45 -17.46 15.02 Favored 'Isoleucine or valine' 0 C--O 1.256 1.416 0 O-C-N 119.516 -1.99 . . . . 2.86 116.237 176.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 57.5 t -86.39 -31.62 6.4 Favored 'Isoleucine or valine' 0 N--CA 1.401 -2.917 0 C-N-CA 117.504 -1.679 . . . . 2.86 109.052 174.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 31.2 t -50.9 -54.91 8.51 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.975 0 C-N-CA 127.428 2.291 . . . . 2.86 113.599 164.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -59.12 -39.53 82.62 Favored 'General case' 0 C--N 1.405 2.984 0 CA-C-O 117.04 -1.457 . . . . 2.86 112.281 175.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 27.3 mtt -63.92 -43.05 97.08 Favored 'General case' 0 CA--C 1.485 -1.537 0 CA-C-N 120.247 1.385 . . . . 2.86 113.18 175.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -55.97 -40.38 73.17 Favored 'General case' 0 C--O 1.194 -1.838 0 C-N-CA 127.175 2.19 . . . . 2.86 114.116 168.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.417 HG21 HD12 ' A' ' 24' ' ' ILE . 61.7 mt -68.33 -41.91 83.95 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.577 0 O-C-N 121.507 -0.746 . . . . 2.86 110.084 172.063 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.18 -42.68 99.5 Favored 'General case' 0 CA--C 1.579 2.06 0 O-C-N 117.144 -3.472 . . . . 2.86 111.568 -176.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.2 mt -71.16 -44.04 74.52 Favored 'Isoleucine or valine' 0 C--O 1.29 3.235 0 CA-C-O 118.421 -0.799 . . . . 2.86 112.635 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 16.7 pt -60.74 -38.4 78.65 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.113 0 C-N-CA 115.697 -2.401 . . . . 2.86 117.196 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 44.8 mt -53.74 -46.27 70.81 Favored 'General case' 0 C--N 1.378 1.838 0 C-N-CA 128.223 2.609 . . . . 2.86 110.977 173.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -66.25 -46.53 76.79 Favored 'General case' 0 C--O 1.204 -1.334 0 C-N-CA 126.167 1.787 . . . . 2.86 110.141 173.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -64.99 -39.14 93.02 Favored 'General case' 0 CA--C 1.57 1.731 0 O-C-N 117.518 -3.239 . . . . 2.86 108.683 -179.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -50.76 -33.64 24.02 Favored 'General case' 0 C--N 1.383 2.055 0 N-CA-C 114.207 1.188 . . . . 2.86 114.207 174.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 74.3 tttt -69.85 -43.8 71.2 Favored 'General case' 0 C--O 1.255 1.375 0 N-CA-C 115.133 1.531 . . . . 2.86 115.133 172.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -72.77 -43.65 62.58 Favored 'General case' 0 C--N 1.367 1.335 0 N-CA-C 117.985 2.587 . . . . 2.86 117.985 -177.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . 0.252 73.2 mmtt -92.76 68.02 4.56 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 119.353 -2.092 . . . . 2.86 116.63 177.12 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.344 0.343 0 CA-C-N 115.038 -0.983 . . . . 2.23 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 76.5 tttt . . . . . 0 N--CA 1.477 0.898 0 N-CA-C 113.893 1.071 . . . . 2.86 113.893 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . 0.258 60.8 pttt -77.99 -11.91 59.94 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-O 115.756 -2.068 . . . . 2.86 112.779 -154.455 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -62.73 -42.96 99.92 Favored 'General case' 0 N--CA 1.427 -1.6 0 O-C-N 127.133 2.771 . . . . 2.86 115.179 -162.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.52 -3.23 27.31 Favored Glycine 0 C--N 1.39 3.554 0 O-C-N 117.946 -2.971 . . . . 2.38 114.842 176.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 34.8 pt -105.1 0.09 10.14 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.854 0 CA-C-N 121.248 2.524 . . . . 2.86 114.694 -175.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 9.5 p -61.92 -29.94 70.55 Favored 'General case' 0 C--O 1.175 -2.827 0 C-N-CA 126.328 1.851 . . . . 2.86 109.221 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -63.39 -42.15 98.8 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 125.836 1.96 . . . . 2.86 109.845 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -72.07 -44.66 62.94 Favored 'General case' 0 C--O 1.189 -2.106 0 O-C-N 116.313 -3.992 . . . . 2.86 105.969 179.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 87.5 m -59.22 -43.88 92.31 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-O 117.11 -1.424 . . . . 2.86 108.455 -174.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.4 m -65.1 -33.41 75.95 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 126.852 2.061 . . . . 2.86 113.531 -176.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -57.17 -40.97 78.37 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.635 -1.291 . . . . 2.86 114.262 168.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.0 mm -65.32 -46.17 91.24 Favored 'Isoleucine or valine' 0 C--O 1.186 -2.263 0 CA-C-O 124.422 2.058 . . . . 2.86 110.829 176.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 42.7 mm -58.53 -46.08 90.0 Favored 'Isoleucine or valine' 0 C--N 1.374 1.661 0 O-C-N 118.468 -2.645 . . . . 2.86 113.363 177.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . 0.28 8.1 mm -66.17 -32.98 60.53 Favored 'Isoleucine or valine' 0 N--CA 1.411 -2.378 0 CA-C-O 126.26 2.933 . . . . 2.86 112.579 176.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 46.1 m -66.77 -39.96 88.02 Favored 'General case' 0 C--O 1.275 2.399 1 O-C-N 115.915 -4.241 . . . . 2.86 116.005 171.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -58.37 -32.99 69.1 Favored 'General case' 0 C--O 1.175 -2.831 0 C-N-CA 128.023 2.529 . . . . 2.86 109.434 174.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.8 mt -70.51 -41.95 71.94 Favored 'General case' 0 C--O 1.171 -3.028 0 O-C-N 118.524 -2.61 . . . . 2.86 106.156 -177.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 24.5 mm -71.36 -52.84 23.69 Favored 'Isoleucine or valine' 0 C--N 1.388 2.253 0 O-C-N 116.95 -3.594 . . . . 2.86 111.489 -175.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 97.4 t -52.55 -42.08 38.8 Favored 'Isoleucine or valine' 0 C--N 1.375 1.683 0 C-N-CA 129.827 3.251 . . . . 2.86 115.926 167.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.3 t -59.32 -51.17 75.81 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.464 0 CA-C-N 119.941 1.246 . . . . 2.86 110.213 172.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -56.1 -34.04 65.66 Favored 'General case' 0 CA--C 1.497 -1.077 0 C-N-CA 127.905 2.482 . . . . 2.86 116.996 174.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 75.4 mmm -65.94 -37.61 86.47 Favored 'General case' 0 N--CA 1.425 -1.711 0 N-CA-C 112.92 0.711 . . . . 2.86 112.92 169.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -65.27 -44.47 87.98 Favored 'General case' 0 C--N 1.381 1.94 0 O-C-N 125.772 1.92 . . . . 2.86 110.772 170.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 19.7 mm -56.01 -45.26 80.24 Favored 'Isoleucine or valine' 0 CA--C 1.479 -1.783 0 O-C-N 117.927 -2.983 . . . . 2.86 112.591 171.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.44 -45.03 94.92 Favored 'General case' 0 CA--C 1.466 -2.275 0 CA-C-O 125.253 2.454 . . . . 2.86 115.443 173.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 74.0 mt -59.35 -39.69 79.63 Favored 'Isoleucine or valine' 0 C--N 1.409 3.179 1 O-C-N 114.494 -5.129 . . . . 2.86 113.617 170.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.5 mm -66.15 -44.77 91.52 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 O-C-N 120.53 -1.356 . . . . 2.86 108.829 178.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 75.7 mt -65.47 -27.87 68.8 Favored 'General case' 0 C--N 1.373 1.588 0 O-C-N 118.598 -2.564 . . . . 2.86 111.377 176.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -78.37 -37.29 44.6 Favored 'General case' 0 C--N 1.375 1.698 0 C-N-CA 117.135 -1.826 . . . . 2.86 110.347 173.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 41.7 m-20 -64.55 -32.73 74.5 Favored 'General case' 0 N--CA 1.413 -2.307 1 O-C-N 115.826 -4.296 . . . . 2.86 119.574 174.378 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -63.9 -38.74 92.22 Favored 'General case' 0 C--O 1.274 2.378 0 CA-C-N 114.036 -1.438 . . . . 2.86 111.458 -177.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.6 tptt -68.74 -45.09 72.39 Favored 'General case' 0 C--N 1.368 1.383 0 O-C-N 127.143 2.777 . . . . 2.86 108.364 177.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 70.1 mttt -63.0 -46.96 85.2 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 129.507 3.123 . . . . 2.86 114.106 178.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -87.33 0.53 55.29 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-O 124.919 2.295 . . . . 2.86 113.897 179.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 0.482 0 O-C-N 118.741 -2.474 . . . . 2.23 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 13.1 pttp . . . . . 0 CA--C 1.565 1.542 0 N-CA-C 114.156 1.169 . . . . 2.86 114.156 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.5 mmtp -59.16 149.93 26.78 Favored 'General case' 0 N--CA 1.481 1.085 0 O-C-N 117.828 -3.045 . . . . 2.86 111.664 164.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 12.1 mtpt -82.63 -7.43 59.65 Favored 'General case' 1 C--O 1.119 -5.79 0 N-CA-C 115.092 1.515 . . . . 2.86 115.092 -171.661 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.7 -174.22 20.45 Favored Glycine 0 CA--C 1.484 -1.894 0 CA-C-O 123.363 1.535 . . . . 2.38 112.438 174.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 7.0 tp -102.42 3.7 10.64 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.977 0 C-N-CA 128.357 2.663 . . . . 2.86 105.275 -170.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 29.3 p -64.79 -38.56 91.38 Favored 'General case' 0 N--CA 1.421 -1.878 0 C-N-CA 128.032 2.533 . . . . 2.86 114.284 -164.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -71.56 -42.44 67.82 Favored 'General case' 0 CA--C 1.45 -2.875 0 C-N-CA 115.47 -2.492 . . . . 2.86 112.286 -178.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -72.83 -31.9 65.12 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 125.616 1.822 . . . . 2.86 107.798 -179.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . 0.283 8.7 t -58.68 -36.89 74.92 Favored 'General case' 0 N--CA 1.415 -2.195 3 O-C-N 112.671 -6.268 . . . . 2.86 114.329 167.259 . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 44.0 m -84.96 -17.32 38.05 Favored 'General case' 0 N--CA 1.432 -1.336 0 CA-C-O 123.834 1.778 . . . . 2.86 109.469 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . 0.284 6.0 m-85 -75.75 -25.83 56.89 Favored 'General case' 0 C--N 1.387 2.224 0 O-C-N 117.719 -3.113 . . . . 2.86 115.898 161.762 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 49.8 mt -66.33 -46.21 87.6 Favored 'Isoleucine or valine' 0 C--O 1.245 0.83 0 O-C-N 117.253 -3.404 . . . . 2.86 115.156 165.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.433 HD11 HG23 ' A' ' 13' ' ' ILE . 80.7 mt -56.12 -44.32 78.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 CA-C-O 114.178 -2.82 . . . . 2.86 113.864 178.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 36.4 pt -58.45 -41.3 81.25 Favored 'Isoleucine or valine' 0 C--N 1.39 2.367 0 O-C-N 127.389 2.931 . . . . 2.86 115.048 169.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 68.3 m -65.26 -37.64 87.84 Favored 'General case' 0 C--N 1.366 1.288 0 O-C-N 121.315 -0.865 . . . . 2.86 112.406 174.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.8 m-30 -70.09 -37.74 75.51 Favored 'General case' 0 N--CA 1.505 2.282 0 O-C-N 118.822 -2.424 . . . . 2.86 115.218 172.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.2 tp -55.12 -35.63 64.86 Favored 'General case' 0 CA--C 1.598 2.817 0 N-CA-C 120.594 3.553 . . . . 2.86 120.594 179.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.5 pt -65.09 -33.53 64.33 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.079 0 CA-C-N 113.038 -1.892 . . . . 2.86 110.85 176.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -72.17 -42.05 66.87 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 O-C-N 117.901 -2.999 . . . . 2.86 107.148 177.602 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 97.3 t -52.51 -48.39 46.7 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.194 0 O-C-N 118.543 -2.598 . . . . 2.86 112.011 169.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -59.09 -47.16 86.28 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 126.259 1.824 . . . . 2.86 110.918 178.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 17.4 mtt -69.61 -37.57 76.93 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 127.751 3.157 . . . . 2.86 110.172 -175.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.279 53.7 t80 -60.93 -43.3 98.83 Favored 'General case' 0 C--N 1.393 2.458 0 O-C-N 116.352 -3.967 . . . . 2.86 114.331 168.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 61.1 mt -62.4 -43.38 98.13 Favored 'Isoleucine or valine' 1 N--CA 1.542 4.174 0 O-C-N 118.284 -2.76 . . . . 2.86 113.635 -179.54 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.75 -47.47 76.91 Favored 'General case' 0 CA--C 1.556 1.189 0 O-C-N 127.148 2.78 . . . . 2.86 116.971 169.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 70.4 mt -59.66 -46.29 93.46 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.981 0 C-N-CA 127.157 2.183 . . . . 2.86 109.635 171.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . 0.425 32.3 pt -64.88 -42.81 95.83 Favored 'Isoleucine or valine' 0 CA--C 1.582 2.203 0 CA-C-N 122.711 2.505 . . . . 2.86 117.075 175.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 68.2 mt -59.31 -30.78 68.59 Favored 'General case' 0 C--N 1.389 2.323 0 O-C-N 126.831 2.582 . . . . 2.86 113.676 174.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -71.96 -44.95 62.74 Favored 'General case' 0 CA--C 1.484 -1.559 0 CA-C-O 123.245 1.498 . . . . 2.86 115.02 169.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -59.81 -35.19 74.2 Favored 'General case' 0 C--N 1.381 1.949 0 C-N-CA 126.545 1.938 . . . . 2.86 111.49 -172.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 22.4 m-30 -66.93 -39.71 87.42 Favored 'General case' 0 CA--C 1.598 2.791 0 O-C-N 120.029 -1.669 . . . . 2.86 109.955 -174.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -62.49 -33.05 74.09 Favored 'General case' 0 CA--C 1.565 1.553 0 CA-C-O 123.904 1.811 . . . . 2.86 112.015 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 59.0 mttt -81.44 -43.4 18.96 Favored 'General case' 0 C--O 1.266 1.958 0 O-C-N 116.322 -3.986 . . . . 2.86 114.842 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 68.4 mmtt -98.54 99.58 10.74 Favored 'General case' 0 C--O 1.244 0.812 0 CA-C-O 126.538 3.066 . . . . 2.86 109.132 -174.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.413 3.355 0 O-C-N 118.133 -2.854 . . . . 2.23 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 39.3 pttt . . . . . 0 N--CA 1.493 1.707 0 CA-C-O 121.092 0.472 . . . . 2.86 111.432 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 58.1 tttp -70.27 -48.39 57.03 Favored 'General case' 0 C--N 1.395 2.58 0 O-C-N 120.043 -1.661 . . . . 2.86 110.96 179.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -64.43 -44.9 89.71 Favored 'General case' 0 N--CA 1.485 1.282 0 N-CA-C 115.691 1.737 . . . . 2.86 115.691 -167.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.87 -0.73 89.09 Favored Glycine 1 N--CA 1.526 4.676 0 N-CA-C 117.599 1.8 . . . . 2.38 117.599 -168.331 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -85.61 -7.74 10.99 Favored 'Isoleucine or valine' 0 N--CA 1.409 -2.497 1 O-C-N 115.891 -4.299 . . . . 2.86 107.903 -173.748 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 74.8 m -77.38 -42.22 37.23 Favored 'General case' 0 C--N 1.394 2.525 0 CA-C-N 119.259 0.936 . . . . 2.86 110.975 178.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -51.84 -53.36 41.16 Favored 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 113.162 0.801 . . . . 2.86 113.162 172.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -77.39 -33.48 55.1 Favored 'General case' 0 N--CA 1.387 -3.582 0 C-N-CA 118.343 -1.343 . . . . 2.86 114.156 -171.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 11.9 t -60.57 -42.64 97.06 Favored 'General case' 0 C--O 1.206 -1.203 0 CA-C-N 114.402 -1.272 . . . . 2.86 109.313 170.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 65.4 m -58.61 -39.81 81.48 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 113.867 1.062 . . . . 2.86 113.867 176.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -67.48 -36.94 82.1 Favored 'General case' 0 N--CA 1.522 3.17 0 O-C-N 120.138 -1.601 . . . . 2.86 108.77 175.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.1 mt -66.73 -44.09 89.67 Favored 'Isoleucine or valine' 0 C--N 1.374 1.66 0 O-C-N 117.874 -3.016 . . . . 2.86 112.982 174.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 27.5 mm -63.4 -50.95 76.55 Favored 'Isoleucine or valine' 0 CA--C 1.452 -2.804 0 O-C-N 119.458 -2.026 . . . . 2.86 114.377 177.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . 0.251 2.8 pt -55.68 -40.88 62.54 Favored 'Isoleucine or valine' 0 CA--C 1.436 -3.433 0 CA-C-N 123.223 2.738 . . . . 2.86 113.025 169.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 59.6 m -59.26 -38.21 79.5 Favored 'General case' 0 CA--C 1.577 1.984 0 CA-C-O 123.949 1.833 . . . . 2.86 111.518 179.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -85.02 -23.95 28.4 Favored 'General case' 0 C--N 1.382 2.0 0 O-C-N 118.435 -2.665 . . . . 2.86 110.779 -170.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 26.1 tp -64.39 -51.97 60.6 Favored 'General case' 0 C--N 1.366 1.285 0 C-N-CA 129.304 3.042 . . . . 2.86 111.105 177.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 49.2 mm -54.3 -39.89 45.64 Favored 'Isoleucine or valine' 0 C--N 1.268 -2.959 0 O-C-N 127.87 3.231 . . . . 2.86 117.447 164.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 48.4 t -68.22 -41.04 83.66 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 O-C-N 118.396 -2.69 . . . . 2.86 115.144 169.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.0 t -59.51 -47.52 90.54 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.404 0 C-N-CA 127.745 2.418 . . . . 2.86 111.34 163.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -72.74 -34.94 67.38 Favored 'General case' 0 C--N 1.37 1.469 0 CA-C-N 122.351 2.341 . . . . 2.86 109.753 -171.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 60.1 tpp -63.03 -32.04 73.31 Favored 'General case' 0 C--N 1.38 1.932 0 O-C-N 119.107 -2.246 . . . . 2.86 109.952 -177.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -71.22 -45.39 63.44 Favored 'General case' 0 CA--C 1.562 1.422 0 O-C-N 118.408 -2.683 . . . . 2.86 109.702 178.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 98.5 mt -58.14 -40.57 77.81 Favored 'Isoleucine or valine' 0 C--N 1.37 1.488 0 C-N-CA 130.469 3.508 . . . . 2.86 109.225 176.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . 0.307 . . -62.87 -45.62 91.69 Favored 'General case' 0 N--CA 1.444 -0.774 0 N-CA-C 115.117 1.525 . . . . 2.86 115.117 170.423 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 34.7 mt -58.76 -39.55 77.17 Favored 'Isoleucine or valine' 0 CA--C 1.468 -2.195 0 N-CA-C 114.708 1.373 . . . . 2.86 114.708 164.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 40.4 mm -75.94 -27.81 18.57 Favored 'Isoleucine or valine' 0 C--O 1.276 2.495 0 O-C-N 119.471 -2.018 . . . . 2.86 111.377 179.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -61.82 -52.25 64.95 Favored 'General case' 0 CA--C 1.495 -1.144 0 C-N-CA 128.453 2.701 . . . . 2.86 111.693 170.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -49.72 -48.42 49.98 Favored 'General case' 0 N--CA 1.415 -2.198 0 C-N-CA 129.57 3.148 . . . . 2.86 110.682 170.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -67.9 -38.4 82.92 Favored 'General case' 0 N--CA 1.417 -2.115 0 CA-C-N 120.756 1.616 . . . . 2.86 114.024 171.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -62.76 -40.57 97.66 Favored 'General case' 1 C--O 1.315 4.509 0 N-CA-C 116.934 2.198 . . . . 2.86 116.934 177.33 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.4 ttpt -63.93 -45.26 90.03 Favored 'General case' 0 C--O 1.197 -1.691 0 CA-C-N 114.522 -1.217 . . . . 2.86 112.158 170.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.3 ttpt -61.18 -34.86 75.73 Favored 'General case' 0 N--CA 1.51 2.556 0 C-N-CA 126.191 1.796 . . . . 2.86 110.892 -178.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.5 tttp -66.75 -55.12 16.44 Favored 'General case' 0 CA--C 1.568 1.638 0 C-N-CA 127.592 2.357 . . . . 2.86 115.803 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.348 0.536 0 O-C-N 121.048 -1.033 . . . . 2.23 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 23.8 pttm . . . . . 0 N--CA 1.514 2.756 0 CA-C-O 125.707 2.67 . . . . 2.86 112.882 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -126.18 158.81 34.64 Favored 'General case' 0 CA--C 1.562 1.421 0 O-C-N 118.688 -2.507 . . . . 2.86 106.078 172.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 51.3 tttm -156.41 139.25 15.24 Favored 'General case' 0 CA--C 1.476 -1.886 0 O-C-N 127.203 2.814 . . . . 2.86 104.0 176.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.67 30.32 18.74 Favored Glycine 0 C--O 1.187 -2.816 0 O-C-N 127.236 2.835 . . . . 2.38 119.18 -176.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . 0.312 6.3 pt -84.34 -7.59 10.94 Favored 'Isoleucine or valine' 0 CA--C 1.453 -2.751 0 CA-C-N 111.333 -2.433 . . . . 2.86 111.663 176.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 18.6 p -65.57 -30.37 71.1 Favored 'General case' 1 N--CA 1.372 -4.372 0 CA-C-O 124.772 2.225 . . . . 2.86 113.258 173.199 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -74.08 -44.64 53.37 Favored 'General case' 0 N--CA 1.443 -0.777 1 O-C-N 115.915 -4.241 . . . . 2.86 112.483 166.151 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -59.71 -46.28 89.57 Favored 'General case' 0 C--O 1.176 -2.801 0 O-C-N 117.903 -2.998 . . . . 2.86 112.714 -176.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 55.6 m -75.98 -36.71 59.12 Favored 'General case' 0 C--O 1.256 1.433 0 O-C-N 116.939 -3.601 . . . . 2.86 110.62 -178.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 60.3 m -47.52 -55.09 9.85 Favored 'General case' 0 N--CA 1.407 -2.613 0 C-N-CA 125.362 1.465 . . . . 2.86 112.478 169.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 21.2 m-30 -53.95 -48.84 69.87 Favored 'General case' 0 C--O 1.275 2.444 0 C-N-CA 124.454 1.102 . . . . 2.86 111.733 -178.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 19.1 mt -65.38 -46.33 90.57 Favored 'Isoleucine or valine' 0 C--O 1.251 1.173 0 C-N-CA 126.016 1.727 . . . . 2.86 109.58 -175.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 26.7 mt -68.47 -47.78 75.7 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.627 0 CA-C-O 123.581 1.658 . . . . 2.86 109.718 -177.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 11.7 pt -67.57 -20.41 26.32 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.847 1 O-C-N 115.67 -4.394 . . . . 2.86 114.199 -178.643 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.1 m -65.95 -54.88 20.59 Favored 'General case' 0 C--O 1.185 -2.34 0 C-N-CA 127.009 2.123 . . . . 2.86 113.259 164.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -49.92 -39.02 38.76 Favored 'General case' 0 N--CA 1.515 2.818 0 CA-C-O 126.548 3.071 . . . . 2.86 116.565 169.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.2 tp -63.8 -43.69 95.55 Favored 'General case' 0 N--CA 1.433 -1.314 0 O-C-N 118.682 -2.511 . . . . 2.86 112.001 176.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 32.2 mm -62.51 -36.12 73.38 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.276 0 O-C-N 118.376 -2.703 . . . . 2.86 113.374 170.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 97.6 t -61.13 -41.46 89.48 Favored 'Isoleucine or valine' 0 C--N 1.367 1.366 0 CA-C-N 121.718 2.053 . . . . 2.86 110.96 178.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 47.2 t -69.15 -51.8 39.91 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.27 0 O-C-N 120.859 -1.151 . . . . 2.86 112.002 176.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -60.32 -41.01 92.6 Favored 'General case' 0 C--N 1.293 -1.86 0 N-CA-C 115.174 1.546 . . . . 2.86 115.174 -175.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 19.2 mtt -59.9 -48.04 83.3 Favored 'General case' 0 C--N 1.365 1.274 0 O-C-N 121.332 -0.855 . . . . 2.86 112.699 166.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -67.52 -25.68 65.96 Favored 'General case' 0 CA--C 1.58 2.114 0 N-CA-C 120.945 3.683 . . . . 2.86 120.945 -173.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.466 ' HA ' HG12 ' A' ' 27' ' ' ILE . 1.8 pp -72.92 -24.58 21.22 Favored 'Isoleucine or valine' 0 C--O 1.26 1.62 0 CA-C-O 116.298 -1.81 . . . . 2.86 113.498 171.172 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.6 -40.55 76.57 Favored 'General case' 0 C--N 1.4 2.794 0 CA-C-N 120.655 1.57 . . . . 2.86 109.648 166.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 75.9 mt -66.39 -48.49 80.67 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.986 0 CA-C-O 124.228 1.966 . . . . 2.86 108.775 -174.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.466 HG12 ' HA ' ' A' ' 24' ' ' ILE . 8.1 pt -74.16 -20.12 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 114.506 -2.664 . . . . 2.86 116.72 178.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.11 -36.6 84.8 Favored 'General case' 0 CA--C 1.451 -2.845 0 CA-C-N 121.31 1.868 . . . . 2.86 111.412 175.269 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -59.83 -48.03 83.33 Favored 'General case' 0 N--CA 1.422 -1.863 0 O-C-N 118.395 -2.691 . . . . 2.86 113.348 169.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 26.1 m-20 -55.44 -54.41 44.19 Favored 'General case' 0 C--N 1.372 1.558 0 C-N-CA 128.045 2.538 . . . . 2.86 109.137 175.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.1 m-30 -67.07 -30.15 70.13 Favored 'General case' 0 CA--C 1.561 1.379 0 CA-C-N 112.757 -2.019 . . . . 2.86 111.636 -170.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt -77.04 -46.98 21.87 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 124.096 1.903 . . . . 2.86 113.612 172.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.3 mtmt -110.25 94.47 5.03 Favored 'General case' 0 CA--C 1.476 -1.879 0 CA-C-O 127.112 3.339 . . . . 2.86 105.027 -167.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -56.21 136.38 52.93 Favored 'General case' 0 CA--C 1.584 2.264 0 C-N-CA 129.808 3.243 . . . . 2.86 113.271 174.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.399 2.761 0 O-C-N 119.935 -1.728 . . . . 2.23 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 17.0 ptmt . . . . . 0 CA--C 1.578 2.051 0 CA-C-O 119.091 -0.48 . . . . 2.86 111.716 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 36.8 mtpt -102.36 -4.47 25.5 Favored 'General case' 0 C--N 1.409 3.174 0 N-CA-C 113.095 0.776 . . . . 2.86 113.095 -173.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -101.72 140.42 36.03 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-O 116.715 -1.612 . . . . 2.86 113.683 -177.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.54 1.07 89.99 Favored Glycine 0 C--O 1.191 -2.572 0 CA-C-O 124.421 2.123 . . . . 2.38 110.066 178.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 20.5 pt -100.1 -4.89 9.27 Favored 'Isoleucine or valine' 0 N--CA 1.527 3.413 0 O-C-N 119.684 -2.068 . . . . 2.86 108.753 -178.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . 0.262 1.9 p -63.68 -33.14 74.97 Favored 'General case' 0 CA--C 1.474 -1.954 0 C-N-CA 129.371 3.068 . . . . 2.86 114.244 178.234 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -63.16 -40.1 96.57 Favored 'General case' 0 N--CA 1.431 -1.399 0 CA-C-N 123.764 2.984 . . . . 2.86 115.468 163.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -72.63 -35.58 67.84 Favored 'General case' 0 C--O 1.267 1.994 0 O-C-N 116.993 -3.567 . . . . 2.86 112.04 178.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 56.4 m -60.22 -50.1 74.98 Favored 'General case' 0 C--O 1.188 -2.177 0 CA-C-O 124.917 2.294 . . . . 2.86 112.748 170.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.8 m -63.07 -32.55 73.95 Favored 'General case' 0 C--N 1.39 2.368 0 CA-C-O 116.51 -1.71 . . . . 2.86 109.841 178.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -63.89 -42.45 97.47 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 115.818 1.784 . . . . 2.86 115.818 172.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 39.1 mt -72.37 -40.5 64.5 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 N-CA-C 105.387 -2.079 . . . . 2.86 105.387 -175.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 73.7 mt -51.73 -57.42 3.47 Favored 'Isoleucine or valine' 0 CA--C 1.482 -1.647 0 C-N-CA 125.427 1.491 . . . . 2.86 113.537 169.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 13.3 mm -60.5 -35.96 66.65 Favored 'Isoleucine or valine' 0 C--N 1.396 2.601 0 CA-C-O 115.184 -2.341 . . . . 2.86 112.492 178.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 50.7 m -61.27 -43.4 98.94 Favored 'General case' 0 CA--C 1.454 -2.731 0 CA-C-N 120.393 1.452 . . . . 2.86 111.269 -176.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . 0.266 18.9 m-30 -80.34 -39.69 28.11 Favored 'General case' 0 N--CA 1.421 -1.898 0 CA-C-O 117.155 -1.403 . . . . 2.86 110.899 174.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.9 tp -54.38 -40.53 68.26 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 118.573 2.805 . . . . 2.86 118.573 173.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 10.9 pt -60.08 -40.65 83.91 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.707 0 C-N-CA 125.147 1.379 . . . . 2.86 111.026 171.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . 0.305 47.9 t -64.58 -54.5 29.59 Favored 'Isoleucine or valine' 0 N--CA 1.408 -2.531 0 C-N-CA 131.687 3.995 . . . . 2.86 113.086 174.663 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . 0.282 91.4 t -49.08 -56.26 2.77 Favored 'Isoleucine or valine' 0 CA--C 1.464 -2.354 0 N-CA-C 116.095 1.887 . . . . 2.86 116.095 169.02 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -63.14 -32.72 74.18 Favored 'General case' 0 N--CA 1.511 2.612 0 CA-C-O 118.065 -0.969 . . . . 2.86 113.008 177.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 15.3 ttt -66.56 -45.16 80.26 Favored 'General case' 0 C--N 1.373 1.616 0 O-C-N 119.26 -2.15 . . . . 2.86 111.22 171.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -70.11 -39.87 75.25 Favored 'General case' 0 C--O 1.208 -1.127 0 O-C-N 119.885 -1.759 . . . . 2.86 115.223 -177.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.0 pt -61.7 -33.69 58.69 Favored 'Isoleucine or valine' 0 C--O 1.273 2.331 0 CA-C-O 124.694 2.187 . . . . 2.86 112.594 173.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.65 -41.04 76.09 Favored 'General case' 0 C--O 1.253 1.249 0 O-C-N 116.68 -3.763 . . . . 2.86 113.599 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 46.7 mt -60.71 -48.23 89.63 Favored 'Isoleucine or valine' 0 N--CA 1.521 3.077 0 N-CA-C 116.154 1.909 . . . . 2.86 116.154 174.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . 0.349 8.7 tp -69.28 -44.0 80.82 Favored 'Isoleucine or valine' 0 C--N 1.399 2.729 0 N-CA-C 115.312 1.597 . . . . 2.86 115.312 173.328 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.2 tp -61.37 -46.38 90.42 Favored 'General case' 0 CA--C 1.449 -2.937 0 CA-C-N 121.054 1.752 . . . . 2.86 112.691 177.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -59.0 -45.45 90.63 Favored 'General case' 0 C--O 1.267 1.997 0 N-CA-C 117.874 2.546 . . . . 2.86 117.874 169.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -60.28 -40.23 89.68 Favored 'General case' 0 N--CA 1.411 -2.419 1 O-C-N 114.975 -4.828 . . . . 2.86 116.298 173.258 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -67.13 -43.47 82.31 Favored 'General case' 0 C--N 1.41 3.218 0 C-N-CA 127.147 2.179 . . . . 2.86 109.507 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.8 ttpp -59.26 -38.72 80.78 Favored 'General case' 0 N--CA 1.422 -1.861 0 N-CA-C 119.057 2.984 . . . . 2.86 119.057 168.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.0 tttp -78.43 -48.85 14.59 Favored 'General case' 0 C--N 1.383 2.046 0 C-N-CA 127.341 2.257 . . . . 2.86 108.579 -175.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 40.6 tptt -99.11 -57.81 2.08 Favored 'General case' 0 CA--C 1.595 2.678 0 CA-C-N 121.334 1.879 . . . . 2.86 111.426 -173.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 119.438 -2.038 . . . . 2.23 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt . . . . . 0 N--CA 1.509 2.507 0 N-CA-C 116.67 2.1 . . . . 2.86 116.67 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -111.34 19.38 18.32 Favored 'General case' 0 C--O 1.253 1.283 0 O-C-N 120.674 -1.266 . . . . 2.86 108.662 -170.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 48.0 mttm -114.77 108.46 16.8 Favored 'General case' 0 C--O 1.208 -1.085 0 CA-C-O 122.16 0.981 . . . . 2.86 109.68 -162.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.87 6.91 87.96 Favored Glycine 0 N--CA 1.48 1.567 0 C-N-CA 129.034 3.207 . . . . 2.38 115.418 -177.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 27.7 pt -86.07 -7.98 11.02 Favored 'Isoleucine or valine' 0 C--O 1.267 1.989 0 N-CA-C 115.666 1.728 . . . . 2.86 115.666 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.6 p -55.08 -48.04 74.08 Favored 'General case' 0 C--N 1.305 -1.346 0 C-N-CA 127.992 2.517 . . . . 2.86 112.312 174.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -60.51 -53.97 51.1 Favored 'General case' 0 C--O 1.269 2.112 0 O-C-N 125.235 1.584 . . . . 2.86 110.765 174.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -58.56 -42.35 87.71 Favored 'General case' 0 C--O 1.264 1.838 0 O-C-N 118.67 -2.519 . . . . 2.86 117.139 177.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.6 m -67.66 -35.93 79.78 Favored 'General case' 0 C--O 1.274 2.376 0 O-C-N 119.133 -2.229 . . . . 2.86 112.546 176.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 39.5 m -67.97 -28.13 67.18 Favored 'General case' 0 CA--C 1.564 1.497 0 CA-C-N 114.332 -1.303 . . . . 2.86 108.257 171.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . 0.28 31.3 t80 -64.11 -43.11 96.32 Favored 'General case' 0 C--O 1.277 2.526 0 O-C-N 117.053 -3.529 . . . . 2.86 112.454 177.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 16.6 mt -53.19 -50.09 48.13 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.986 0 C-N-CA 129.677 3.191 . . . . 2.86 111.252 167.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 82.2 mt -65.34 -43.62 94.9 Favored 'Isoleucine or valine' 0 C--O 1.251 1.152 0 N-CA-C 115.614 1.709 . . . . 2.86 115.614 177.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . 0.255 32.0 mm -62.46 -40.6 88.69 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.135 0 O-C-N 116.329 -3.982 . . . . 2.86 113.945 172.659 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 59.5 m -57.91 -43.81 86.4 Favored 'General case' 0 C--O 1.257 1.461 0 N-CA-C 117.735 2.495 . . . . 2.86 117.735 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -61.88 -43.17 99.38 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 126.293 2.949 . . . . 2.86 112.248 167.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.7 tp -63.71 -39.54 94.56 Favored 'General case' 0 N--CA 1.535 3.812 0 O-C-N 119.662 -1.899 . . . . 2.86 114.066 -179.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . 0.293 10.4 pt -64.73 -33.46 63.49 Favored 'Isoleucine or valine' 0 C--N 1.389 2.287 0 N-CA-C 119.08 2.992 . . . . 2.86 119.08 172.191 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 38.9 t -62.58 -42.91 97.7 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.803 0 C-N-CA 126.917 2.087 . . . . 2.86 108.592 167.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.6 t -74.87 -42.75 46.64 Favored 'Isoleucine or valine' 0 C--N 1.417 3.514 0 O-C-N 116.886 -3.634 . . . . 2.86 108.472 -173.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.425 ' HA ' HG12 ' A' ' 24' ' ' ILE . 87.2 m-20 -51.26 -38.56 53.37 Favored 'General case' 0 C--O 1.271 2.195 0 N-CA-C 116.241 1.941 . . . . 2.86 116.241 167.273 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 57.7 ttp -69.31 -41.86 76.17 Favored 'General case' 0 C--O 1.202 -1.447 0 CA-C-O 127.274 3.416 . . . . 2.86 114.653 173.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 16.0 m-30 -66.88 -36.99 83.56 Favored 'General case' 0 CA--C 1.579 2.076 0 O-C-N 118.189 -2.819 . . . . 2.86 116.271 174.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.425 HG12 ' HA ' ' A' ' 21' ' ' ASN . 32.7 pt -73.78 -28.79 24.94 Favored 'Isoleucine or valine' 0 C--N 1.37 1.487 0 O-C-N 119.947 -1.721 . . . . 2.86 109.356 -178.258 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.69 -33.98 73.29 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 115.149 -0.932 . . . . 2.86 112.865 172.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 75.5 mt -75.4 -36.21 35.14 Favored 'Isoleucine or valine' 0 C--N 1.382 1.995 0 O-C-N 121.941 -0.474 . . . . 2.86 110.496 -179.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.7 tp -76.78 -22.17 14.89 Favored 'Isoleucine or valine' 0 C--N 1.37 1.479 0 O-C-N 119.452 -2.03 . . . . 2.86 108.912 177.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.3 tp -69.56 -48.24 60.98 Favored 'General case' 0 CA--C 1.579 2.072 0 O-C-N 118.111 -2.868 . . . . 2.86 110.463 178.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -64.66 -38.68 91.83 Favored 'General case' 0 C--N 1.369 1.444 0 C-N-CA 130.693 3.597 . . . . 2.86 117.623 173.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . 0.252 10.6 m-80 -70.46 -45.97 64.74 Favored 'General case' 0 N--CA 1.385 -3.69 0 C-N-CA 125.812 1.645 . . . . 2.86 111.169 172.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -65.44 -34.91 79.39 Favored 'General case' 0 CA--C 1.57 1.726 0 CA-C-O 123.632 1.682 . . . . 2.86 108.67 -178.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.9 ttpp -58.89 -43.93 91.05 Favored 'General case' 0 C--O 1.18 -2.605 0 O-C-N 117.611 -3.181 . . . . 2.86 116.441 172.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -89.4 -47.39 8.05 Favored 'General case' 0 C--O 1.265 1.91 0 N-CA-C 115.148 1.536 . . . . 2.86 115.148 -179.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . 0.294 19.8 ttmt -66.48 -66.02 0.61 Allowed 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 128.518 2.727 . . . . 2.86 117.829 -176.411 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.37 1.484 0 O-C-N 123.81 0.694 . . . . 2.23 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt . . . . . 0 N--CA 1.515 2.778 0 N-CA-C 115.817 1.784 . . . . 2.86 115.817 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 35.8 mtpt -91.97 2.99 56.2 Favored 'General case' 0 N--CA 1.517 2.893 0 N-CA-C 116.794 2.146 . . . . 2.86 116.794 -177.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -112.87 133.74 54.71 Favored 'General case' 0 C--O 1.206 -1.19 0 O-C-N 119.639 -1.913 . . . . 2.86 109.125 -176.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.07 9.01 74.45 Favored Glycine 0 C--N 1.391 3.588 0 C-N-CA 126.061 1.791 . . . . 2.38 109.489 177.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 33.8 pt -94.83 -16.42 7.42 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.149 0 CA-C-N 123.447 3.624 . . . . 2.86 113.974 173.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 26.6 p -38.62 -45.78 1.13 Allowed 'General case' 0 CA--C 1.571 1.783 0 N-CA-C 121.504 3.89 . . . . 2.86 121.504 171.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -58.04 -43.6 86.92 Favored 'General case' 0 C--O 1.208 -1.089 1 C-N-CA 134.052 4.941 . . . . 2.86 110.004 173.178 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -90.28 -26.15 20.17 Favored 'General case' 0 C--N 1.293 -1.858 0 O-C-N 119.158 -2.214 . . . . 2.86 105.585 -169.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 69.4 m -64.6 -39.59 94.0 Favored 'General case' 0 C--O 1.203 -1.388 0 N-CA-C 115.894 1.812 . . . . 2.86 115.894 166.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.281 74.4 m -75.37 -28.86 59.69 Favored 'General case' 0 C--O 1.206 -1.222 0 O-C-N 119.081 -2.262 . . . . 2.86 108.571 171.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -66.05 -44.23 85.19 Favored 'General case' 0 C--O 1.261 1.677 0 O-C-N 118.103 -2.873 . . . . 2.86 109.111 173.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.2 mt -65.42 -44.77 94.34 Favored 'Isoleucine or valine' 0 C--N 1.371 1.503 0 CA-C-O 126.169 2.89 . . . . 2.86 108.55 -173.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 91.4 mt -67.01 -49.58 72.29 Favored 'Isoleucine or valine' 0 C--N 1.374 1.647 0 O-C-N 117.381 -3.325 . . . . 2.86 110.645 -176.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.419 ' HA ' ' HB3' ' A' ' 17' ' ' LEU . 22.4 mm -69.78 -27.23 32.53 Favored 'Isoleucine or valine' 0 C--O 1.193 -1.899 1 O-C-N 115.902 -4.249 . . . . 2.86 112.812 179.632 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 58.4 m -56.7 -46.68 81.07 Favored 'General case' 0 CA--C 1.574 1.881 0 N-CA-C 116.268 1.951 . . . . 2.86 116.268 171.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -67.88 -41.96 81.98 Favored 'General case' 0 CA--C 1.56 1.357 0 CA-C-O 115.972 -1.966 . . . . 2.86 110.744 169.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.419 ' HB3' ' HA ' ' A' ' 14' ' ' ILE . 33.9 tp -59.51 -47.49 85.33 Favored 'General case' 0 C--N 1.405 3.0 0 N-CA-C 117.02 2.23 . . . . 2.86 117.02 -178.18 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 27.0 pt -63.28 -34.14 65.3 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.55 0 C-N-CA 116.216 -2.194 . . . . 2.86 116.768 174.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 64.7 t -71.25 -42.2 74.75 Favored 'Isoleucine or valine' 0 N--CA 1.405 -2.712 0 C-N-CA 128.697 2.799 . . . . 2.86 117.378 168.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 83.9 t -69.84 -41.87 79.82 Favored 'Isoleucine or valine' 0 CA--C 1.463 -2.369 0 C-N-CA 120.192 -0.603 . . . . 2.86 111.17 173.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -56.01 -40.35 73.26 Favored 'General case' 0 C--N 1.381 1.953 0 O-C-N 117.413 -3.304 . . . . 2.86 115.077 170.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 26.9 ttt -68.8 -42.58 77.11 Favored 'General case' 0 CA--C 1.481 -1.681 0 O-C-N 118.324 -2.735 . . . . 2.86 111.379 179.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -61.0 -51.74 67.95 Favored 'General case' 0 C--O 1.258 1.503 0 O-C-N 118.553 -2.592 . . . . 2.86 110.093 178.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . 0.351 18.5 pt -62.35 -30.5 49.12 Favored 'Isoleucine or valine' 0 C--N 1.399 2.734 0 CA-C-O 123.294 1.521 . . . . 2.86 111.366 -173.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.49 -45.32 60.02 Favored 'General case' 0 C--N 1.41 3.221 0 O-C-N 120.089 -1.632 . . . . 2.86 111.069 175.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.4 mt -59.6 -36.76 67.05 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.964 1 N-CA-C 121.831 4.012 . . . . 2.86 121.831 176.046 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . 0.456 9.9 tp -64.38 -35.16 73.46 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.901 0 C-N-CA 129.764 3.225 . . . . 2.86 111.18 168.734 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.9 tp -60.33 -52.98 62.94 Favored 'General case' 0 N--CA 1.519 2.98 1 O-C-N 115.541 -4.475 . . . . 2.86 116.687 170.211 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.2 tp10 -59.73 -52.87 63.64 Favored 'General case' 0 N--CA 1.392 -3.367 0 CA-C-N 112.094 -2.321 . . . . 2.86 116.111 172.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -62.57 -37.53 86.55 Favored 'General case' 0 N--CA 1.424 -1.745 0 CA-C-O 113.034 -3.365 . . . . 2.86 116.734 176.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -67.2 -41.92 85.02 Favored 'General case' 0 N--CA 1.408 -2.551 0 CA-C-N 122.276 2.307 . . . . 2.86 111.081 174.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.7 ttpp -57.64 -38.48 75.09 Favored 'General case' 0 N--CA 1.427 -1.599 0 C-N-CA 128.071 2.548 . . . . 2.86 113.474 173.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -67.35 -53.63 27.74 Favored 'General case' 0 C--N 1.379 1.867 0 C-N-CA 127.734 2.413 . . . . 2.86 111.023 177.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.06 -47.82 78.67 Favored 'General case' 0 CA--C 1.608 3.201 0 O-C-N 119.435 -2.041 . . . . 2.86 112.166 176.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.365 1.276 1 O-C-N 116.188 -4.07 . . . . 2.23 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 12.7 tptm . . . . . 0 N--CA 1.492 1.656 0 CA-C-O 123.167 1.46 . . . . 2.86 109.372 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.9 ptmm? -49.92 144.03 7.08 Favored 'General case' 0 N--CA 1.414 -2.241 0 CA-C-O 124.73 2.205 . . . . 2.86 111.484 176.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.3 ttpt -54.57 128.46 32.33 Favored 'General case' 0 CA--C 1.562 1.417 0 N-CA-C 115.553 1.686 . . . . 2.86 115.553 165.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.23 -63.34 0.56 Allowed Glycine 0 C--N 1.36 1.889 0 CA-C-O 122.623 1.124 . . . . 2.38 114.207 -174.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 8.0 tp -85.23 -23.68 7.17 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.808 0 O-C-N 120.731 -1.453 . . . . 2.86 109.845 -172.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 28.2 p -51.38 -38.86 55.5 Favored 'General case' 0 CA--C 1.593 2.621 0 C-N-CA 126.764 2.025 . . . . 2.86 112.329 167.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -66.55 -42.96 86.34 Favored 'General case' 0 C--N 1.384 2.108 0 C-N-CA 119.792 -0.763 . . . . 2.86 109.71 179.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -63.83 -47.06 82.31 Favored 'General case' 0 C--N 1.283 -2.285 0 C-N-CA 127.965 2.506 . . . . 2.86 111.203 178.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 92.3 m -52.56 -49.36 65.08 Favored 'General case' 0 CA--C 1.582 2.211 0 CA-C-O 122.06 0.933 . . . . 2.86 112.003 170.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.5 m -57.74 -47.8 81.44 Favored 'General case' 0 C--O 1.192 -1.943 0 C-N-CA 129.468 3.107 . . . . 2.86 109.809 -174.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -66.18 -34.41 77.96 Favored 'General case' 0 CA--C 1.564 1.502 0 C-N-CA 124.674 1.19 . . . . 2.86 113.765 177.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.2 mt -64.9 -46.65 91.15 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.161 1 O-C-N 115.554 -4.466 . . . . 2.86 110.464 172.301 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 97.0 mt -60.07 -45.65 95.34 Favored 'Isoleucine or valine' 0 N--CA 1.535 3.798 0 O-C-N 119.902 -1.749 . . . . 2.86 114.905 173.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 10.3 mm -59.12 -37.87 70.81 Favored 'Isoleucine or valine' 0 C--N 1.364 1.237 0 O-C-N 117.93 -2.981 . . . . 2.86 114.582 165.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 59.2 m -65.63 -44.9 85.04 Favored 'General case' 0 N--CA 1.505 2.303 0 O-C-N 117.525 -3.234 . . . . 2.86 109.53 173.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -69.98 -18.71 63.35 Favored 'General case' 0 C--O 1.215 -0.731 0 CA-C-N 122.45 2.386 . . . . 2.86 114.267 176.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.6 tp -72.17 -32.97 67.33 Favored 'General case' 0 C--N 1.41 3.221 0 CA-C-O 124.142 1.925 . . . . 2.86 108.153 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 53.5 mt -78.38 -37.97 22.36 Favored 'Isoleucine or valine' 0 CA--C 1.453 -2.767 0 O-C-N 117.532 -3.23 . . . . 2.86 112.7 176.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 75.2 t -61.19 -48.58 88.34 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.348 0 O-C-N 117.924 -2.985 . . . . 2.86 114.769 169.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 31.1 t -59.38 -50.14 80.97 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.63 0 N-CA-C 117.677 2.473 . . . . 2.86 117.677 167.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . 0.268 58.5 m-80 -67.32 -31.65 72.09 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 117.454 -3.279 . . . . 2.86 113.775 173.732 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 87.4 mtp -59.45 -47.61 84.81 Favored 'General case' 0 C--O 1.183 -2.439 0 N-CA-C 116.083 1.883 . . . . 2.86 116.083 166.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -56.14 -52.59 63.81 Favored 'General case' 0 C--N 1.412 3.312 0 O-C-N 125.497 1.748 . . . . 2.86 108.773 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . 0.295 35.1 pt -63.67 -27.85 43.78 Favored 'Isoleucine or valine' 1 CA--C 1.649 4.761 0 C-N-CA 115.177 -2.609 . . . . 2.86 111.392 -176.718 . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.02 -45.73 66.57 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 119.649 -1.907 . . . . 2.86 115.903 174.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . 0.442 4.5 pt -62.46 -38.39 81.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 N-CA-C 121.392 3.849 . . . . 2.86 121.392 176.711 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 5.7 tp -69.6 -22.21 25.09 Favored 'Isoleucine or valine' 0 CA--C 1.467 -2.212 0 O-C-N 118.24 -2.788 . . . . 2.86 112.324 168.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.2 tp -71.53 -42.3 68.11 Favored 'General case' 0 C--N 1.375 1.685 0 O-C-N 118.72 -2.488 . . . . 2.86 110.349 172.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.33 -48.43 71.39 Favored 'General case' 0 C--N 1.37 1.492 0 O-C-N 126.014 2.071 . . . . 2.86 115.515 170.694 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -62.95 -37.15 85.92 Favored 'General case' 0 C--O 1.195 -1.8 0 CA-C-N 119.955 1.252 . . . . 2.86 114.229 170.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -65.04 -38.33 90.52 Favored 'General case' 0 C--N 1.386 2.182 0 N-CA-C 116.422 2.008 . . . . 2.86 116.422 177.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -86.41 -15.52 40.06 Favored 'General case' 0 N--CA 1.499 1.979 0 C-N-CA 118.68 -1.208 . . . . 2.86 112.252 178.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -65.03 -50.94 64.28 Favored 'General case' 0 N--CA 1.414 -2.246 0 O-C-N 119.877 -1.765 . . . . 2.86 114.076 169.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -61.41 -56.95 14.54 Favored 'General case' 0 CA--C 1.589 2.476 0 C-N-CA 129.627 3.171 . . . . 2.86 110.813 174.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 0.593 1 O-C-N 115.782 -4.324 . . . . 2.23 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 16.4 ptmt . . . . . 0 N--CA 1.525 3.314 0 CA-C-O 116.83 -1.557 . . . . 2.8599999999999999 114.916 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 26.5 mtpt -108.56 12.14 26.23 Favored 'General case' 0 C--N 1.38 1.914 0 N-CA-C 115.99 1.848 . . . . 2.8599999999999999 115.99 -178.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 58.6 mttm -131.08 157.63 42.57 Favored 'General case' 0 N--CA 1.398 -3.048 0 N-CA-C 107.46 -1.311 . . . . 2.8599999999999999 107.46 167.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.87 -1.51 83.75 Favored Glycine 0 C--N 1.38 2.986 0 CA-C-O 124.249 2.027 . . . . 2.3799999999999999 113.772 -172.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 28.2 pt -105.57 -5.83 9.89 Favored 'Isoleucine or valine' 0 C--N 1.373 1.595 0 O-C-N 118.817 -2.578 . . . . 2.8599999999999999 111.507 -172.161 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 20.8 p -69.2 -34.63 75.19 Favored 'General case' 0 C--O 1.202 -1.446 1 O-C-N 114.699 -5.001 . . . . 2.8599999999999999 116.98 -174.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -68.9 -40.45 79.14 Favored 'General case' 0 C--N 1.364 1.199 0 O-C-N 117.767 -3.083 . . . . 2.8599999999999999 110.82 172.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -69.37 -42.21 75.5 Favored 'General case' 0 CA--C 1.571 1.753 0 CA-C-O 114.211 -2.804 . . . . 2.8599999999999999 111.805 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 88.7 m -63.07 -43.44 98.56 Favored 'General case' 0 N--CA 1.434 -1.248 0 O-C-N 125.615 1.822 . . . . 2.8599999999999999 112.45 175.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 69.1 m -58.52 -45.62 88.45 Favored 'General case' 0 C--O 1.246 0.887 0 N-CA-C 115.113 1.523 . . . . 2.8599999999999999 115.113 172.227 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -58.77 -36.18 73.98 Favored 'General case' 0 N--CA 1.501 2.093 0 N-CA-C 115.657 1.725 . . . . 2.8599999999999999 115.657 168.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 10.8 mt -71.03 -31.8 46.2 Favored 'Isoleucine or valine' 0 C--O 1.274 2.387 0 O-C-N 118.847 -2.408 . . . . 2.8599999999999999 115.233 173.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . 0.258 12.3 mt -66.11 -45.87 89.28 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.02 0 O-C-N 118.065 -2.897 . . . . 2.8599999999999999 110.155 171.497 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 35.0 mm -60.19 -49.85 82.51 Favored 'Isoleucine or valine' 0 C--N 1.387 2.224 1 C-N-CA 132.212 4.205 . . . . 2.8599999999999999 109.564 -178.091 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 68.5 m -62.85 -36.44 83.23 Favored 'General case' 0 C--O 1.192 -1.953 0 CA-C-O 124.126 1.917 . . . . 2.8599999999999999 114.948 178.151 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . 0.257 30.2 m-85 -64.78 -44.1 91.09 Favored 'General case' 0 C--N 1.4 2.8 0 N-CA-C 115.991 1.848 . . . . 2.8599999999999999 115.991 167.289 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.7 tp -64.01 -48.33 76.8 Favored 'General case' 0 C--N 1.315 -0.898 1 C-N-CA 132.33 4.252 . . . . 2.8599999999999999 113.278 -178.652 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 13.0 pt -55.78 -40.73 62.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 124.78 3.445 . . . . 2.8599999999999999 114.851 174.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 41.0 t -69.06 -45.48 79.95 Favored 'Isoleucine or valine' 0 C--O 1.261 1.69 0 CA-C-O 125.598 2.618 . . . . 2.8599999999999999 109.369 177.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.0 t -60.94 -41.75 90.16 Favored 'Isoleucine or valine' 0 C--O 1.263 1.795 1 O-C-N 116.189 -4.069 . . . . 2.8599999999999999 111.53 -178.273 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.1 m-20 -71.74 -40.43 69.39 Favored 'General case' 0 CA--C 1.473 -1.989 0 CA-C-O 124.383 2.04 . . . . 2.8599999999999999 110.927 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 9.9 ttt -70.57 -38.8 74.14 Favored 'General case' 0 C--O 1.258 1.531 0 O-C-N 116.881 -3.637 . . . . 2.8599999999999999 115.937 178.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.423 ' O ' HG22 ' A' ' 27' ' ' ILE . 45.3 t80 -62.23 -49.18 76.76 Favored 'General case' 0 C--N 1.37 1.472 0 C-N-CA 129.411 3.084 . . . . 2.8599999999999999 108.67 174.362 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . 0.37 10.7 pt -61.06 -20.28 21.8 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.492 0 O-C-N 118.27 -2.769 . . . . 2.8599999999999999 118.312 176.566 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.05 -40.55 19.76 Favored 'General case' 0 N--CA 1.414 -2.255 0 CA-C-O 115.456 -2.211 . . . . 2.8599999999999999 109.859 173.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 98.0 mt -79.27 -37.55 19.19 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 CA-C-N 120.808 1.64 . . . . 2.8599999999999999 107.4 -174.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.423 HG22 ' O ' ' A' ' 23' ' ' TYR . 6.8 tp -87.82 -17.3 8.67 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.032 0 O-C-N 119.139 -2.226 . . . . 2.8599999999999999 109.878 -169.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 54.1 tp -70.04 -42.34 73.03 Favored 'General case' 0 CA--C 1.476 -1.88 0 O-C-N 118.286 -2.759 . . . . 2.8599999999999999 108.314 163.032 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -64.79 -48.3 74.97 Favored 'General case' 0 C--N 1.399 2.743 0 C-N-CA 128.978 2.911 . . . . 2.8599999999999999 110.064 179.018 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . 0.294 20.6 m-80 -62.81 -37.17 85.69 Favored 'General case' 0 N--CA 1.398 -3.036 0 O-C-N 118.946 -2.346 . . . . 2.8599999999999999 114.979 175.192 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -64.53 -50.81 65.88 Favored 'General case' 0 C--O 1.259 1.603 0 CA-C-O 121.417 0.627 . . . . 2.8599999999999999 109.48 174.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.3 ttpp -56.3 -39.97 73.56 Favored 'General case' 0 C--N 1.274 -2.715 0 CA-C-O 125.383 2.516 . . . . 2.8599999999999999 117.008 175.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.4 tttp -66.36 -44.74 82.37 Favored 'General case' 0 CA--C 1.609 3.238 0 CA-C-O 127.267 3.413 . . . . 2.8599999999999999 110.447 -179.221 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.16 -47.11 87.3 Favored 'General case' 0 C--N 1.292 -1.897 0 O-C-N 118.84 -2.412 . . . . 2.8599999999999999 109.742 178.69 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 0.469 0 O-C-N 124.741 1.276 . . . . 2.23 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 22.2 pttp . . . . . 0 N--CA 1.533 3.689 0 CA-C-O 122.067 0.937 . . . . 2.8599999999999999 112.841 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -59.08 144.27 46.01 Favored 'General case' 0 N--CA 1.414 -2.236 0 N-CA-C 119.563 3.171 . . . . 2.8599999999999999 119.563 172.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 24.9 mtpt -75.44 14.06 0.66 Allowed 'General case' 0 N--CA 1.499 2.019 0 O-C-N 116.885 -3.634 . . . . 2.8599999999999999 113.122 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.67 165.46 12.4 Favored Glycine 0 C--O 1.289 3.539 0 C-N-CA 128.155 2.788 . . . . 2.3799999999999999 113.34 173.087 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 10.8 tp -102.24 8.11 9.39 Favored 'Isoleucine or valine' 1 C--N 1.433 4.218 0 CA-C-N 111.329 -2.435 . . . . 2.8599999999999999 107.87 -162.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 12.4 p -60.28 -32.55 71.29 Favored 'General case' 0 C--N 1.381 1.945 0 N-CA-C 118.129 2.641 . . . . 2.8599999999999999 118.129 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -69.12 -35.12 76.06 Favored 'General case' 0 N--CA 1.422 -1.857 1 O-C-N 116.094 -4.129 . . . . 2.8599999999999999 114.318 171.284 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -64.71 -42.02 95.58 Favored 'General case' 0 C--O 1.277 2.509 0 C-N-CA 127.303 2.241 . . . . 2.8599999999999999 114.719 166.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 37.9 t -71.63 -36.53 70.76 Favored 'General case' 0 C--O 1.2 -1.538 0 O-C-N 118.601 -2.562 . . . . 2.8599999999999999 110.966 177.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.5 m -63.76 -34.07 77.07 Favored 'General case' 0 C--O 1.187 -2.185 0 O-C-N 120.113 -1.617 . . . . 2.8599999999999999 114.997 -178.212 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.559 ' HA ' HG12 ' A' ' 14' ' ' ILE . 8.1 m-85 -65.26 -29.16 69.91 Favored 'General case' 0 C--O 1.266 1.949 0 N-CA-C 117.082 2.253 . . . . 2.8599999999999999 117.082 168.228 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 65.8 mt -66.57 -48.07 81.55 Favored 'Isoleucine or valine' 0 C--O 1.266 1.96 0 N-CA-C 113.762 1.023 . . . . 2.8599999999999999 113.762 166.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 50.8 mt -53.91 -35.55 28.29 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.102 0 CA-C-O 115.574 -2.155 . . . . 2.8599999999999999 116.445 171.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.559 HG12 ' HA ' ' A' ' 11' ' ' TYR . 29.3 pt -79.3 -28.53 13.37 Favored 'Isoleucine or valine' 0 N--CA 1.411 -2.399 0 CA-C-N 122.187 2.267 . . . . 2.8599999999999999 110.087 178.278 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.5 m -66.13 -36.21 82.54 Favored 'General case' 0 CA--C 1.464 -2.363 0 O-C-N 117.649 -3.157 . . . . 2.8599999999999999 116.671 168.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.8 m-30 -63.69 -47.26 81.93 Favored 'General case' 0 CA--C 1.494 -1.195 0 C-N-CA 128.821 2.849 . . . . 2.8599999999999999 111.714 168.198 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.1 tp -51.85 -37.04 50.48 Favored 'General case' 0 C--N 1.361 1.078 0 CA-C-O 125.618 2.628 . . . . 2.8599999999999999 116.486 -168.263 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 pt -76.45 -17.46 15.02 Favored 'Isoleucine or valine' 0 C--O 1.256 1.416 0 O-C-N 119.516 -1.99 . . . . 2.8599999999999999 116.237 176.039 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 57.5 t -86.39 -31.62 6.4 Favored 'Isoleucine or valine' 0 N--CA 1.401 -2.917 0 C-N-CA 117.504 -1.679 . . . . 2.8599999999999999 109.052 174.11 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 31.2 t -50.9 -54.91 8.51 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.975 0 C-N-CA 127.428 2.291 . . . . 2.8599999999999999 113.599 164.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -59.12 -39.53 82.62 Favored 'General case' 0 C--N 1.405 2.984 0 CA-C-O 117.04 -1.457 . . . . 2.8599999999999999 112.281 175.099 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 27.3 mtt -63.92 -43.05 97.08 Favored 'General case' 0 CA--C 1.485 -1.537 0 CA-C-N 120.247 1.385 . . . . 2.8599999999999999 113.18 175.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -55.97 -40.38 73.17 Favored 'General case' 0 C--O 1.194 -1.838 0 C-N-CA 127.175 2.19 . . . . 2.8599999999999999 114.116 168.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.407 HG21 HD13 ' A' ' 24' ' ' ILE . 61.7 mt -68.33 -41.91 83.95 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.577 0 O-C-N 121.507 -0.746 . . . . 2.8599999999999999 110.084 172.063 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.18 -42.68 99.5 Favored 'General case' 0 CA--C 1.579 2.06 0 O-C-N 117.144 -3.472 . . . . 2.8599999999999999 111.568 -176.341 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.2 mt -71.16 -44.04 74.52 Favored 'Isoleucine or valine' 0 C--O 1.29 3.235 0 CA-C-O 118.421 -0.799 . . . . 2.8599999999999999 112.635 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 16.7 pt -60.74 -38.4 78.65 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.113 0 C-N-CA 115.697 -2.401 . . . . 2.8599999999999999 117.196 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 44.8 mt -53.74 -46.27 70.81 Favored 'General case' 0 C--N 1.378 1.838 0 C-N-CA 128.223 2.609 . . . . 2.8599999999999999 110.977 173.305 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -66.25 -46.53 76.79 Favored 'General case' 0 C--O 1.204 -1.334 0 C-N-CA 126.167 1.787 . . . . 2.8599999999999999 110.141 173.154 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -64.99 -39.14 93.02 Favored 'General case' 0 CA--C 1.57 1.731 0 O-C-N 117.518 -3.239 . . . . 2.8599999999999999 108.683 -179.105 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -50.76 -33.64 24.02 Favored 'General case' 0 C--N 1.383 2.055 0 N-CA-C 114.207 1.188 . . . . 2.8599999999999999 114.207 174.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 74.3 tttt -69.85 -43.8 71.2 Favored 'General case' 0 C--O 1.255 1.375 0 N-CA-C 115.133 1.531 . . . . 2.8599999999999999 115.133 172.602 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -72.77 -43.65 62.58 Favored 'General case' 0 C--N 1.367 1.335 0 N-CA-C 117.985 2.587 . . . . 2.8599999999999999 117.985 -177.501 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . 0.252 73.2 mmtt -92.76 68.02 4.56 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 119.353 -2.092 . . . . 2.8599999999999999 116.63 177.12 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.344 0.343 0 CA-C-N 115.038 -0.983 . . . . 2.23 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 76.5 tttt . . . . . 0 N--CA 1.477 0.898 0 N-CA-C 113.893 1.071 . . . . 2.8599999999999999 113.893 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . 0.258 60.8 pttt -77.99 -11.91 59.94 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-O 115.756 -2.068 . . . . 2.8599999999999999 112.779 -154.455 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -62.73 -42.96 99.92 Favored 'General case' 0 N--CA 1.427 -1.6 0 O-C-N 127.133 2.771 . . . . 2.8599999999999999 115.179 -162.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.52 -3.23 27.31 Favored Glycine 0 C--N 1.39 3.554 0 O-C-N 117.946 -2.971 . . . . 2.3799999999999999 114.842 176.424 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 34.8 pt -105.1 0.09 10.14 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.854 0 CA-C-N 121.248 2.524 . . . . 2.8599999999999999 114.694 -175.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 9.5 p -61.92 -29.94 70.55 Favored 'General case' 0 C--O 1.175 -2.827 0 C-N-CA 126.328 1.851 . . . . 2.8599999999999999 109.221 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -63.39 -42.15 98.8 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 125.836 1.96 . . . . 2.8599999999999999 109.845 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -72.07 -44.66 62.94 Favored 'General case' 0 C--O 1.189 -2.106 0 O-C-N 116.313 -3.992 . . . . 2.8599999999999999 105.969 179.176 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 87.5 m -59.22 -43.88 92.31 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-O 117.11 -1.424 . . . . 2.8599999999999999 108.455 -174.512 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.4 m -65.1 -33.41 75.95 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 126.852 2.061 . . . . 2.8599999999999999 113.531 -176.527 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -57.17 -40.97 78.37 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.635 -1.291 . . . . 2.8599999999999999 114.262 168.341 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.0 mm -65.32 -46.17 91.24 Favored 'Isoleucine or valine' 0 C--O 1.186 -2.263 0 CA-C-O 124.422 2.058 . . . . 2.8599999999999999 110.829 176.056 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 42.7 mm -58.53 -46.08 90.0 Favored 'Isoleucine or valine' 0 C--N 1.374 1.661 0 O-C-N 118.468 -2.645 . . . . 2.8599999999999999 113.363 177.011 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . 0.28 8.1 mm -66.17 -32.98 60.53 Favored 'Isoleucine or valine' 0 N--CA 1.411 -2.378 0 CA-C-O 126.26 2.933 . . . . 2.8599999999999999 112.579 176.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 46.1 m -66.77 -39.96 88.02 Favored 'General case' 0 C--O 1.275 2.399 1 O-C-N 115.915 -4.241 . . . . 2.8599999999999999 116.005 171.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -58.37 -32.99 69.1 Favored 'General case' 0 C--O 1.175 -2.831 0 C-N-CA 128.023 2.529 . . . . 2.8599999999999999 109.434 174.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.8 mt -70.51 -41.95 71.94 Favored 'General case' 0 C--O 1.171 -3.028 0 O-C-N 118.524 -2.61 . . . . 2.8599999999999999 106.156 -177.11 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 24.5 mm -71.36 -52.84 23.69 Favored 'Isoleucine or valine' 0 C--N 1.388 2.253 0 O-C-N 116.95 -3.594 . . . . 2.8599999999999999 111.489 -175.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 97.4 t -52.55 -42.08 38.8 Favored 'Isoleucine or valine' 0 C--N 1.375 1.683 0 C-N-CA 129.827 3.251 . . . . 2.8599999999999999 115.926 167.349 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.3 t -59.32 -51.17 75.81 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.464 0 CA-C-N 119.941 1.246 . . . . 2.8599999999999999 110.213 172.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -56.1 -34.04 65.66 Favored 'General case' 0 CA--C 1.497 -1.077 0 C-N-CA 127.905 2.482 . . . . 2.8599999999999999 116.996 174.148 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 75.4 mmm -65.94 -37.61 86.47 Favored 'General case' 0 N--CA 1.425 -1.711 0 N-CA-C 112.92 0.711 . . . . 2.8599999999999999 112.92 169.433 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -65.27 -44.47 87.98 Favored 'General case' 0 C--N 1.381 1.94 0 O-C-N 125.772 1.92 . . . . 2.8599999999999999 110.772 170.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 19.7 mm -56.01 -45.26 80.24 Favored 'Isoleucine or valine' 0 CA--C 1.479 -1.783 0 O-C-N 117.927 -2.983 . . . . 2.8599999999999999 112.591 171.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.44 -45.03 94.92 Favored 'General case' 0 CA--C 1.466 -2.275 0 CA-C-O 125.253 2.454 . . . . 2.8599999999999999 115.443 173.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 74.0 mt -59.35 -39.69 79.63 Favored 'Isoleucine or valine' 0 C--N 1.409 3.179 1 O-C-N 114.494 -5.129 . . . . 2.8599999999999999 113.617 170.782 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.5 mm -66.15 -44.77 91.52 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 O-C-N 120.53 -1.356 . . . . 2.8599999999999999 108.829 178.265 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.405 ' HA ' HD23 ' A' ' 28' ' ' LEU . 75.7 mt -65.47 -27.87 68.8 Favored 'General case' 0 C--N 1.373 1.588 0 O-C-N 118.598 -2.564 . . . . 2.8599999999999999 111.377 176.228 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -78.37 -37.29 44.6 Favored 'General case' 0 C--N 1.375 1.698 0 C-N-CA 117.135 -1.826 . . . . 2.8599999999999999 110.347 173.405 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 41.7 m-20 -64.55 -32.73 74.5 Favored 'General case' 0 N--CA 1.413 -2.307 1 O-C-N 115.826 -4.296 . . . . 2.8599999999999999 119.574 174.378 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -63.9 -38.74 92.22 Favored 'General case' 0 C--O 1.274 2.378 0 CA-C-N 114.036 -1.438 . . . . 2.8599999999999999 111.458 -177.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.6 tptt -68.74 -45.09 72.39 Favored 'General case' 0 C--N 1.368 1.383 0 O-C-N 127.143 2.777 . . . . 2.8599999999999999 108.364 177.082 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 70.1 mttt -63.0 -46.96 85.2 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 129.507 3.123 . . . . 2.8599999999999999 114.106 178.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -87.33 0.53 55.29 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-O 124.919 2.295 . . . . 2.8599999999999999 113.897 179.011 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 0.482 0 O-C-N 118.741 -2.474 . . . . 2.23 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 13.1 pttp . . . . . 0 CA--C 1.565 1.542 0 N-CA-C 114.156 1.169 . . . . 2.8599999999999999 114.156 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.5 mmtp -59.16 149.93 26.78 Favored 'General case' 0 N--CA 1.481 1.085 0 O-C-N 117.828 -3.045 . . . . 2.8599999999999999 111.664 164.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 12.1 mtpt -82.63 -7.43 59.65 Favored 'General case' 1 C--O 1.119 -5.79 0 N-CA-C 115.092 1.515 . . . . 2.8599999999999999 115.092 -171.661 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.7 -174.22 20.45 Favored Glycine 0 CA--C 1.484 -1.894 0 CA-C-O 123.363 1.535 . . . . 2.3799999999999999 112.438 174.125 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 7.0 tp -102.42 3.7 10.64 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.977 0 C-N-CA 128.357 2.663 . . . . 2.8599999999999999 105.275 -170.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 29.3 p -64.79 -38.56 91.38 Favored 'General case' 0 N--CA 1.421 -1.878 0 C-N-CA 128.032 2.533 . . . . 2.8599999999999999 114.284 -164.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -71.56 -42.44 67.82 Favored 'General case' 0 CA--C 1.45 -2.875 0 C-N-CA 115.47 -2.492 . . . . 2.8599999999999999 112.286 -178.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -72.83 -31.9 65.12 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 125.616 1.822 . . . . 2.8599999999999999 107.798 -179.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.432 ' HA ' HD12 ' A' ' 12' ' ' ILE 0.283 8.7 t -58.68 -36.89 74.92 Favored 'General case' 0 N--CA 1.415 -2.195 3 O-C-N 112.671 -6.268 . . . . 2.8599999999999999 114.329 167.259 . . . . . . . . 4 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 44.0 m -84.96 -17.32 38.05 Favored 'General case' 0 N--CA 1.432 -1.336 0 CA-C-O 123.834 1.778 . . . . 2.8599999999999999 109.469 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . 0.284 6.0 m-85 -75.75 -25.83 56.89 Favored 'General case' 0 C--N 1.387 2.224 0 O-C-N 117.719 -3.113 . . . . 2.8599999999999999 115.898 161.762 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.432 HD12 ' HA ' ' A' ' 9' ' ' CYS . 49.8 mt -66.33 -46.21 87.6 Favored 'Isoleucine or valine' 0 C--O 1.245 0.83 0 O-C-N 117.253 -3.404 . . . . 2.8599999999999999 115.156 165.378 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 80.7 mt -56.12 -44.32 78.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 CA-C-O 114.178 -2.82 . . . . 2.8599999999999999 113.864 178.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 36.4 pt -58.45 -41.3 81.25 Favored 'Isoleucine or valine' 0 C--N 1.39 2.367 0 O-C-N 127.389 2.931 . . . . 2.8599999999999999 115.048 169.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 68.3 m -65.26 -37.64 87.84 Favored 'General case' 0 C--N 1.366 1.288 0 O-C-N 121.315 -0.865 . . . . 2.8599999999999999 112.406 174.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.8 m-30 -70.09 -37.74 75.51 Favored 'General case' 0 N--CA 1.505 2.282 0 O-C-N 118.822 -2.424 . . . . 2.8599999999999999 115.218 172.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.2 tp -55.12 -35.63 64.86 Favored 'General case' 0 CA--C 1.598 2.817 0 N-CA-C 120.594 3.553 . . . . 2.8599999999999999 120.594 179.237 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.5 pt -65.09 -33.53 64.33 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.079 0 CA-C-N 113.038 -1.892 . . . . 2.8599999999999999 110.85 176.211 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.416 ' H ' HG23 ' A' ' 19' ' ' VAL . 0.6 OUTLIER -72.17 -42.05 66.87 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 O-C-N 117.901 -2.999 . . . . 2.8599999999999999 107.148 177.602 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 97.3 t -52.51 -48.39 46.7 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.194 0 O-C-N 118.543 -2.598 . . . . 2.8599999999999999 112.011 169.263 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -59.09 -47.16 86.28 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 126.259 1.824 . . . . 2.8599999999999999 110.918 178.24 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 17.4 mtt -69.61 -37.57 76.93 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 127.751 3.157 . . . . 2.8599999999999999 110.172 -175.134 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.279 53.7 t80 -60.93 -43.3 98.83 Favored 'General case' 0 C--N 1.393 2.458 0 O-C-N 116.352 -3.967 . . . . 2.8599999999999999 114.331 168.778 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.508 ' HA ' HG12 ' A' ' 27' ' ' ILE . 61.1 mt -62.4 -43.38 98.13 Favored 'Isoleucine or valine' 1 N--CA 1.542 4.174 0 O-C-N 118.284 -2.76 . . . . 2.8599999999999999 113.635 -179.54 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.75 -47.47 76.91 Favored 'General case' 0 CA--C 1.556 1.189 0 O-C-N 127.148 2.78 . . . . 2.8599999999999999 116.971 169.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 70.4 mt -59.66 -46.29 93.46 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.981 0 C-N-CA 127.157 2.183 . . . . 2.8599999999999999 109.635 171.511 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.508 HG12 ' HA ' ' A' ' 24' ' ' ILE 0.425 32.3 pt -64.88 -42.81 95.83 Favored 'Isoleucine or valine' 0 CA--C 1.582 2.203 0 CA-C-N 122.711 2.505 . . . . 2.8599999999999999 117.075 175.839 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 68.2 mt -59.31 -30.78 68.59 Favored 'General case' 0 C--N 1.389 2.323 0 O-C-N 126.831 2.582 . . . . 2.8599999999999999 113.676 174.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -71.96 -44.95 62.74 Favored 'General case' 0 CA--C 1.484 -1.559 0 CA-C-O 123.245 1.498 . . . . 2.8599999999999999 115.02 169.392 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -59.81 -35.19 74.2 Favored 'General case' 0 C--N 1.381 1.949 0 C-N-CA 126.545 1.938 . . . . 2.8599999999999999 111.49 -172.392 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 22.4 m-30 -66.93 -39.71 87.42 Favored 'General case' 0 CA--C 1.598 2.791 0 O-C-N 120.029 -1.669 . . . . 2.8599999999999999 109.955 -174.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -62.49 -33.05 74.09 Favored 'General case' 0 CA--C 1.565 1.553 0 CA-C-O 123.904 1.811 . . . . 2.8599999999999999 112.015 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 59.0 mttt -81.44 -43.4 18.96 Favored 'General case' 0 C--O 1.266 1.958 0 O-C-N 116.322 -3.986 . . . . 2.8599999999999999 114.842 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 68.4 mmtt -98.54 99.58 10.74 Favored 'General case' 0 C--O 1.244 0.812 0 CA-C-O 126.538 3.066 . . . . 2.8599999999999999 109.132 -174.469 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.413 3.355 0 O-C-N 118.133 -2.854 . . . . 2.23 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 39.3 pttt . . . . . 0 N--CA 1.493 1.707 0 CA-C-O 121.092 0.472 . . . . 2.8599999999999999 111.432 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 58.1 tttp -70.27 -48.39 57.03 Favored 'General case' 0 C--N 1.395 2.58 0 O-C-N 120.043 -1.661 . . . . 2.8599999999999999 110.96 179.316 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -64.43 -44.9 89.71 Favored 'General case' 0 N--CA 1.485 1.282 0 N-CA-C 115.691 1.737 . . . . 2.8599999999999999 115.691 -167.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.87 -0.73 89.09 Favored Glycine 1 N--CA 1.526 4.676 0 N-CA-C 117.599 1.8 . . . . 2.3799999999999999 117.599 -168.331 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -85.61 -7.74 10.99 Favored 'Isoleucine or valine' 0 N--CA 1.409 -2.497 1 O-C-N 115.891 -4.299 . . . . 2.8599999999999999 107.903 -173.748 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 74.8 m -77.38 -42.22 37.23 Favored 'General case' 0 C--N 1.394 2.525 0 CA-C-N 119.259 0.936 . . . . 2.8599999999999999 110.975 178.421 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -51.84 -53.36 41.16 Favored 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 113.162 0.801 . . . . 2.8599999999999999 113.162 172.159 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.52 ' CE2' HD11 ' A' ' 12' ' ' ILE . 70.2 t80 -77.39 -33.48 55.1 Favored 'General case' 0 N--CA 1.387 -3.582 0 C-N-CA 118.343 -1.343 . . . . 2.8599999999999999 114.156 -171.725 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 11.9 t -60.57 -42.64 97.06 Favored 'General case' 0 C--O 1.206 -1.203 0 CA-C-N 114.402 -1.272 . . . . 2.8599999999999999 109.313 170.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 65.4 m -58.61 -39.81 81.48 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 113.867 1.062 . . . . 2.8599999999999999 113.867 176.303 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -67.48 -36.94 82.1 Favored 'General case' 0 N--CA 1.522 3.17 0 O-C-N 120.138 -1.601 . . . . 2.8599999999999999 108.77 175.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.52 HD11 ' CE2' ' A' ' 8' ' ' PHE . 97.1 mt -66.73 -44.09 89.67 Favored 'Isoleucine or valine' 0 C--N 1.374 1.66 0 O-C-N 117.874 -3.016 . . . . 2.8599999999999999 112.982 174.475 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 27.5 mm -63.4 -50.95 76.55 Favored 'Isoleucine or valine' 0 CA--C 1.452 -2.804 0 O-C-N 119.458 -2.026 . . . . 2.8599999999999999 114.377 177.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . 0.251 2.8 pt -55.68 -40.88 62.54 Favored 'Isoleucine or valine' 0 CA--C 1.436 -3.433 0 CA-C-N 123.223 2.738 . . . . 2.8599999999999999 113.025 169.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 59.6 m -59.26 -38.21 79.5 Favored 'General case' 0 CA--C 1.577 1.984 0 CA-C-O 123.949 1.833 . . . . 2.8599999999999999 111.518 179.471 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -85.02 -23.95 28.4 Favored 'General case' 0 C--N 1.382 2.0 0 O-C-N 118.435 -2.665 . . . . 2.8599999999999999 110.779 -170.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 26.1 tp -64.39 -51.97 60.6 Favored 'General case' 0 C--N 1.366 1.285 0 C-N-CA 129.304 3.042 . . . . 2.8599999999999999 111.105 177.516 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 49.2 mm -54.3 -39.89 45.64 Favored 'Isoleucine or valine' 0 C--N 1.268 -2.959 0 O-C-N 127.87 3.231 . . . . 2.8599999999999999 117.447 164.136 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 48.4 t -68.22 -41.04 83.66 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 O-C-N 118.396 -2.69 . . . . 2.8599999999999999 115.144 169.043 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.0 t -59.51 -47.52 90.54 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.404 0 C-N-CA 127.745 2.418 . . . . 2.8599999999999999 111.34 163.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -72.74 -34.94 67.38 Favored 'General case' 0 C--N 1.37 1.469 0 CA-C-N 122.351 2.341 . . . . 2.8599999999999999 109.753 -171.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 60.1 tpp -63.03 -32.04 73.31 Favored 'General case' 0 C--N 1.38 1.932 0 O-C-N 119.107 -2.246 . . . . 2.8599999999999999 109.952 -177.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -71.22 -45.39 63.44 Favored 'General case' 0 CA--C 1.562 1.422 0 O-C-N 118.408 -2.683 . . . . 2.8599999999999999 109.702 178.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 98.5 mt -58.14 -40.57 77.81 Favored 'Isoleucine or valine' 0 C--N 1.37 1.488 0 C-N-CA 130.469 3.508 . . . . 2.8599999999999999 109.225 176.177 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . 0.307 . . -62.87 -45.62 91.69 Favored 'General case' 0 N--CA 1.444 -0.774 0 N-CA-C 115.117 1.525 . . . . 2.8599999999999999 115.117 170.423 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 34.7 mt -58.76 -39.55 77.17 Favored 'Isoleucine or valine' 0 CA--C 1.468 -2.195 0 N-CA-C 114.708 1.373 . . . . 2.8599999999999999 114.708 164.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 40.4 mm -75.94 -27.81 18.57 Favored 'Isoleucine or valine' 0 C--O 1.276 2.495 0 O-C-N 119.471 -2.018 . . . . 2.8599999999999999 111.377 179.093 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -61.82 -52.25 64.95 Favored 'General case' 0 CA--C 1.495 -1.144 0 C-N-CA 128.453 2.701 . . . . 2.8599999999999999 111.693 170.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -49.72 -48.42 49.98 Favored 'General case' 0 N--CA 1.415 -2.198 0 C-N-CA 129.57 3.148 . . . . 2.8599999999999999 110.682 170.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -67.9 -38.4 82.92 Favored 'General case' 0 N--CA 1.417 -2.115 0 CA-C-N 120.756 1.616 . . . . 2.8599999999999999 114.024 171.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -62.76 -40.57 97.66 Favored 'General case' 1 C--O 1.315 4.509 0 N-CA-C 116.934 2.198 . . . . 2.8599999999999999 116.934 177.33 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.4 ttpt -63.93 -45.26 90.03 Favored 'General case' 0 C--O 1.197 -1.691 0 CA-C-N 114.522 -1.217 . . . . 2.8599999999999999 112.158 170.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.3 ttpt -61.18 -34.86 75.73 Favored 'General case' 0 N--CA 1.51 2.556 0 C-N-CA 126.191 1.796 . . . . 2.8599999999999999 110.892 -178.069 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.5 tttp -66.75 -55.12 16.44 Favored 'General case' 0 CA--C 1.568 1.638 0 C-N-CA 127.592 2.357 . . . . 2.8599999999999999 115.803 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.348 0.536 0 O-C-N 121.048 -1.033 . . . . 2.23 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 23.8 pttm . . . . . 0 N--CA 1.514 2.756 0 CA-C-O 125.707 2.67 . . . . 2.8599999999999999 112.882 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -126.18 158.81 34.64 Favored 'General case' 0 CA--C 1.562 1.421 0 O-C-N 118.688 -2.507 . . . . 2.8599999999999999 106.078 172.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 51.3 tttm -156.41 139.25 15.24 Favored 'General case' 0 CA--C 1.476 -1.886 0 O-C-N 127.203 2.814 . . . . 2.8599999999999999 104.0 176.021 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.67 30.32 18.74 Favored Glycine 0 C--O 1.187 -2.816 0 O-C-N 127.236 2.835 . . . . 2.3799999999999999 119.18 -176.025 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . 0.312 6.3 pt -84.34 -7.59 10.94 Favored 'Isoleucine or valine' 0 CA--C 1.453 -2.751 0 CA-C-N 111.333 -2.433 . . . . 2.8599999999999999 111.663 176.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 18.6 p -65.57 -30.37 71.1 Favored 'General case' 1 N--CA 1.372 -4.372 0 CA-C-O 124.772 2.225 . . . . 2.8599999999999999 113.258 173.199 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -74.08 -44.64 53.37 Favored 'General case' 0 N--CA 1.443 -0.777 1 O-C-N 115.915 -4.241 . . . . 2.8599999999999999 112.483 166.151 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -59.71 -46.28 89.57 Favored 'General case' 0 C--O 1.176 -2.801 0 O-C-N 117.903 -2.998 . . . . 2.8599999999999999 112.714 -176.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 55.6 m -75.98 -36.71 59.12 Favored 'General case' 0 C--O 1.256 1.433 0 O-C-N 116.939 -3.601 . . . . 2.8599999999999999 110.62 -178.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 60.3 m -47.52 -55.09 9.85 Favored 'General case' 0 N--CA 1.407 -2.613 0 C-N-CA 125.362 1.465 . . . . 2.8599999999999999 112.478 169.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 21.2 m-30 -53.95 -48.84 69.87 Favored 'General case' 0 C--O 1.275 2.444 0 C-N-CA 124.454 1.102 . . . . 2.8599999999999999 111.733 -178.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 19.1 mt -65.38 -46.33 90.57 Favored 'Isoleucine or valine' 0 C--O 1.251 1.173 0 C-N-CA 126.016 1.727 . . . . 2.8599999999999999 109.58 -175.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 26.7 mt -68.47 -47.78 75.7 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.627 0 CA-C-O 123.581 1.658 . . . . 2.8599999999999999 109.718 -177.213 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 11.7 pt -67.57 -20.41 26.32 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.847 1 O-C-N 115.67 -4.394 . . . . 2.8599999999999999 114.199 -178.643 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.1 m -65.95 -54.88 20.59 Favored 'General case' 0 C--O 1.185 -2.34 0 C-N-CA 127.009 2.123 . . . . 2.8599999999999999 113.259 164.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -49.92 -39.02 38.76 Favored 'General case' 0 N--CA 1.515 2.818 0 CA-C-O 126.548 3.071 . . . . 2.8599999999999999 116.565 169.668 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.2 tp -63.8 -43.69 95.55 Favored 'General case' 0 N--CA 1.433 -1.314 0 O-C-N 118.682 -2.511 . . . . 2.8599999999999999 112.001 176.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.458 HD13 ' HA ' ' A' ' 18' ' ' ILE . 32.2 mm -62.51 -36.12 73.38 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.276 0 O-C-N 118.376 -2.703 . . . . 2.8599999999999999 113.374 170.43 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 97.6 t -61.13 -41.46 89.48 Favored 'Isoleucine or valine' 0 C--N 1.367 1.366 0 CA-C-N 121.718 2.053 . . . . 2.8599999999999999 110.96 178.148 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 47.2 t -69.15 -51.8 39.91 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.27 0 O-C-N 120.859 -1.151 . . . . 2.8599999999999999 112.002 176.234 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -60.32 -41.01 92.6 Favored 'General case' 0 C--N 1.293 -1.86 0 N-CA-C 115.174 1.546 . . . . 2.8599999999999999 115.174 -175.179 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 19.2 mtt -59.9 -48.04 83.3 Favored 'General case' 0 C--N 1.365 1.274 0 O-C-N 121.332 -0.855 . . . . 2.8599999999999999 112.699 166.455 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -67.52 -25.68 65.96 Favored 'General case' 0 CA--C 1.58 2.114 0 N-CA-C 120.945 3.683 . . . . 2.8599999999999999 120.945 -173.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.432 ' HA ' HG12 ' A' ' 27' ' ' ILE . 1.8 pp -72.92 -24.58 21.22 Favored 'Isoleucine or valine' 0 C--O 1.26 1.62 0 CA-C-O 116.298 -1.81 . . . . 2.8599999999999999 113.498 171.172 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.6 -40.55 76.57 Favored 'General case' 0 C--N 1.4 2.794 0 CA-C-N 120.655 1.57 . . . . 2.8599999999999999 109.648 166.521 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 75.9 mt -66.39 -48.49 80.67 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.986 0 CA-C-O 124.228 1.966 . . . . 2.8599999999999999 108.775 -174.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.432 HG12 ' HA ' ' A' ' 24' ' ' ILE . 8.1 pt -74.16 -20.12 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 114.506 -2.664 . . . . 2.8599999999999999 116.72 178.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.11 -36.6 84.8 Favored 'General case' 0 CA--C 1.451 -2.845 0 CA-C-N 121.31 1.868 . . . . 2.8599999999999999 111.412 175.269 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -59.83 -48.03 83.33 Favored 'General case' 0 N--CA 1.422 -1.863 0 O-C-N 118.395 -2.691 . . . . 2.8599999999999999 113.348 169.316 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 26.1 m-20 -55.44 -54.41 44.19 Favored 'General case' 0 C--N 1.372 1.558 0 C-N-CA 128.045 2.538 . . . . 2.8599999999999999 109.137 175.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.1 m-30 -67.07 -30.15 70.13 Favored 'General case' 0 CA--C 1.561 1.379 0 CA-C-N 112.757 -2.019 . . . . 2.8599999999999999 111.636 -170.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt -77.04 -46.98 21.87 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 124.096 1.903 . . . . 2.8599999999999999 113.612 172.352 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.3 mtmt -110.25 94.47 5.03 Favored 'General case' 0 CA--C 1.476 -1.879 0 CA-C-O 127.112 3.339 . . . . 2.8599999999999999 105.027 -167.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -56.21 136.38 52.93 Favored 'General case' 0 CA--C 1.584 2.264 0 C-N-CA 129.808 3.243 . . . . 2.8599999999999999 113.271 174.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.399 2.761 0 O-C-N 119.935 -1.728 . . . . 2.23 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 17.0 ptmt . . . . . 0 CA--C 1.578 2.051 0 CA-C-O 119.091 -0.48 . . . . 2.8599999999999999 111.716 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 36.8 mtpt -102.36 -4.47 25.5 Favored 'General case' 0 C--N 1.409 3.174 0 N-CA-C 113.095 0.776 . . . . 2.8599999999999999 113.095 -173.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -101.72 140.42 36.03 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-O 116.715 -1.612 . . . . 2.8599999999999999 113.683 -177.408 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.54 1.07 89.99 Favored Glycine 0 C--O 1.191 -2.572 0 CA-C-O 124.421 2.123 . . . . 2.3799999999999999 110.066 178.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 20.5 pt -100.1 -4.89 9.27 Favored 'Isoleucine or valine' 0 N--CA 1.527 3.413 0 O-C-N 119.684 -2.068 . . . . 2.8599999999999999 108.753 -178.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . 0.262 1.9 p -63.68 -33.14 74.97 Favored 'General case' 0 CA--C 1.474 -1.954 0 C-N-CA 129.371 3.068 . . . . 2.8599999999999999 114.244 178.234 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -63.16 -40.1 96.57 Favored 'General case' 0 N--CA 1.431 -1.399 0 CA-C-N 123.764 2.984 . . . . 2.8599999999999999 115.468 163.352 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -72.63 -35.58 67.84 Favored 'General case' 0 C--O 1.267 1.994 0 O-C-N 116.993 -3.567 . . . . 2.8599999999999999 112.04 178.116 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 56.4 m -60.22 -50.1 74.98 Favored 'General case' 0 C--O 1.188 -2.177 0 CA-C-O 124.917 2.294 . . . . 2.8599999999999999 112.748 170.108 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.8 m -63.07 -32.55 73.95 Favored 'General case' 0 C--N 1.39 2.368 0 CA-C-O 116.51 -1.71 . . . . 2.8599999999999999 109.841 178.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -63.89 -42.45 97.47 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 115.818 1.784 . . . . 2.8599999999999999 115.818 172.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 39.1 mt -72.37 -40.5 64.5 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 N-CA-C 105.387 -2.079 . . . . 2.8599999999999999 105.387 -175.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 73.7 mt -51.73 -57.42 3.47 Favored 'Isoleucine or valine' 0 CA--C 1.482 -1.647 0 C-N-CA 125.427 1.491 . . . . 2.8599999999999999 113.537 169.493 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 13.3 mm -60.5 -35.96 66.65 Favored 'Isoleucine or valine' 0 C--N 1.396 2.601 0 CA-C-O 115.184 -2.341 . . . . 2.8599999999999999 112.492 178.339 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 50.7 m -61.27 -43.4 98.94 Favored 'General case' 0 CA--C 1.454 -2.731 0 CA-C-N 120.393 1.452 . . . . 2.8599999999999999 111.269 -176.627 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . 0.266 18.9 m-30 -80.34 -39.69 28.11 Favored 'General case' 0 N--CA 1.421 -1.898 0 CA-C-O 117.155 -1.403 . . . . 2.8599999999999999 110.899 174.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.9 tp -54.38 -40.53 68.26 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 118.573 2.805 . . . . 2.8599999999999999 118.573 173.245 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 10.9 pt -60.08 -40.65 83.91 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.707 0 C-N-CA 125.147 1.379 . . . . 2.8599999999999999 111.026 171.003 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . 0.305 47.9 t -64.58 -54.5 29.59 Favored 'Isoleucine or valine' 0 N--CA 1.408 -2.531 0 C-N-CA 131.687 3.995 . . . . 2.8599999999999999 113.086 174.663 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . 0.282 91.4 t -49.08 -56.26 2.77 Favored 'Isoleucine or valine' 0 CA--C 1.464 -2.354 0 N-CA-C 116.095 1.887 . . . . 2.8599999999999999 116.095 169.02 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -63.14 -32.72 74.18 Favored 'General case' 0 N--CA 1.511 2.612 0 CA-C-O 118.065 -0.969 . . . . 2.8599999999999999 113.008 177.354 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 15.3 ttt -66.56 -45.16 80.26 Favored 'General case' 0 C--N 1.373 1.616 0 O-C-N 119.26 -2.15 . . . . 2.8599999999999999 111.22 171.429 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -70.11 -39.87 75.25 Favored 'General case' 0 C--O 1.208 -1.127 0 O-C-N 119.885 -1.759 . . . . 2.8599999999999999 115.223 -177.066 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.0 pt -61.7 -33.69 58.69 Favored 'Isoleucine or valine' 0 C--O 1.273 2.331 0 CA-C-O 124.694 2.187 . . . . 2.8599999999999999 112.594 173.148 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.65 -41.04 76.09 Favored 'General case' 0 C--O 1.253 1.249 0 O-C-N 116.68 -3.763 . . . . 2.8599999999999999 113.599 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 46.7 mt -60.71 -48.23 89.63 Favored 'Isoleucine or valine' 0 N--CA 1.521 3.077 0 N-CA-C 116.154 1.909 . . . . 2.8599999999999999 116.154 174.111 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . 0.349 8.7 tp -69.28 -44.0 80.82 Favored 'Isoleucine or valine' 0 C--N 1.399 2.729 0 N-CA-C 115.312 1.597 . . . . 2.8599999999999999 115.312 173.328 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.2 tp -61.37 -46.38 90.42 Favored 'General case' 0 CA--C 1.449 -2.937 0 CA-C-N 121.054 1.752 . . . . 2.8599999999999999 112.691 177.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -59.0 -45.45 90.63 Favored 'General case' 0 C--O 1.267 1.997 0 N-CA-C 117.874 2.546 . . . . 2.8599999999999999 117.874 169.225 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -60.28 -40.23 89.68 Favored 'General case' 0 N--CA 1.411 -2.419 1 O-C-N 114.975 -4.828 . . . . 2.8599999999999999 116.298 173.258 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -67.13 -43.47 82.31 Favored 'General case' 0 C--N 1.41 3.218 0 C-N-CA 127.147 2.179 . . . . 2.8599999999999999 109.507 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.8 ttpp -59.26 -38.72 80.78 Favored 'General case' 0 N--CA 1.422 -1.861 0 N-CA-C 119.057 2.984 . . . . 2.8599999999999999 119.057 168.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.0 tttp -78.43 -48.85 14.59 Favored 'General case' 0 C--N 1.383 2.046 0 C-N-CA 127.341 2.257 . . . . 2.8599999999999999 108.579 -175.275 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 40.6 tptt -99.11 -57.81 2.08 Favored 'General case' 0 CA--C 1.595 2.678 0 CA-C-N 121.334 1.879 . . . . 2.8599999999999999 111.426 -173.356 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 119.438 -2.038 . . . . 2.23 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt . . . . . 0 N--CA 1.509 2.507 0 N-CA-C 116.67 2.1 . . . . 2.8599999999999999 116.67 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -111.34 19.38 18.32 Favored 'General case' 0 C--O 1.253 1.283 0 O-C-N 120.674 -1.266 . . . . 2.8599999999999999 108.662 -170.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 48.0 mttm -114.77 108.46 16.8 Favored 'General case' 0 C--O 1.208 -1.085 0 CA-C-O 122.16 0.981 . . . . 2.8599999999999999 109.68 -162.119 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.87 6.91 87.96 Favored Glycine 0 N--CA 1.48 1.567 0 C-N-CA 129.034 3.207 . . . . 2.3799999999999999 115.418 -177.514 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 27.7 pt -86.07 -7.98 11.02 Favored 'Isoleucine or valine' 0 C--O 1.267 1.989 0 N-CA-C 115.666 1.728 . . . . 2.8599999999999999 115.666 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.6 p -55.08 -48.04 74.08 Favored 'General case' 0 C--N 1.305 -1.346 0 C-N-CA 127.992 2.517 . . . . 2.8599999999999999 112.312 174.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -60.51 -53.97 51.1 Favored 'General case' 0 C--O 1.269 2.112 0 O-C-N 125.235 1.584 . . . . 2.8599999999999999 110.765 174.069 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -58.56 -42.35 87.71 Favored 'General case' 0 C--O 1.264 1.838 0 O-C-N 118.67 -2.519 . . . . 2.8599999999999999 117.139 177.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.6 m -67.66 -35.93 79.78 Favored 'General case' 0 C--O 1.274 2.376 0 O-C-N 119.133 -2.229 . . . . 2.8599999999999999 112.546 176.3 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.404 ' HA ' HD12 ' A' ' 13' ' ' ILE . 39.5 m -67.97 -28.13 67.18 Favored 'General case' 0 CA--C 1.564 1.497 0 CA-C-N 114.332 -1.303 . . . . 2.8599999999999999 108.257 171.43 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . 0.28 31.3 t80 -64.11 -43.11 96.32 Favored 'General case' 0 C--O 1.277 2.526 0 O-C-N 117.053 -3.529 . . . . 2.8599999999999999 112.454 177.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 16.6 mt -53.19 -50.09 48.13 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.986 0 C-N-CA 129.677 3.191 . . . . 2.8599999999999999 111.252 167.5 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.404 HD12 ' HA ' ' A' ' 10' ' ' SER . 82.2 mt -65.34 -43.62 94.9 Favored 'Isoleucine or valine' 0 C--O 1.251 1.152 0 N-CA-C 115.614 1.709 . . . . 2.8599999999999999 115.614 177.358 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . 0.255 32.0 mm -62.46 -40.6 88.69 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.135 0 O-C-N 116.329 -3.982 . . . . 2.8599999999999999 113.945 172.659 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.429 ' HA ' HG12 ' A' ' 18' ' ' ILE . 59.5 m -57.91 -43.81 86.4 Favored 'General case' 0 C--O 1.257 1.461 0 N-CA-C 117.735 2.495 . . . . 2.8599999999999999 117.735 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -61.88 -43.17 99.38 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 126.293 2.949 . . . . 2.8599999999999999 112.248 167.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.7 tp -63.71 -39.54 94.56 Favored 'General case' 0 N--CA 1.535 3.812 0 O-C-N 119.662 -1.899 . . . . 2.8599999999999999 114.066 -179.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.429 HG12 ' HA ' ' A' ' 15' ' ' SER 0.293 10.4 pt -64.73 -33.46 63.49 Favored 'Isoleucine or valine' 0 C--N 1.389 2.287 0 N-CA-C 119.08 2.992 . . . . 2.8599999999999999 119.08 172.191 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 38.9 t -62.58 -42.91 97.7 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.803 0 C-N-CA 126.917 2.087 . . . . 2.8599999999999999 108.592 167.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.6 t -74.87 -42.75 46.64 Favored 'Isoleucine or valine' 0 C--N 1.417 3.514 0 O-C-N 116.886 -3.634 . . . . 2.8599999999999999 108.472 -173.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -51.26 -38.56 53.37 Favored 'General case' 0 C--O 1.271 2.195 0 N-CA-C 116.241 1.941 . . . . 2.8599999999999999 116.241 167.273 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 57.7 ttp -69.31 -41.86 76.17 Favored 'General case' 0 C--O 1.202 -1.447 0 CA-C-O 127.274 3.416 . . . . 2.8599999999999999 114.653 173.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 16.0 m-30 -66.88 -36.99 83.56 Favored 'General case' 0 CA--C 1.579 2.076 0 O-C-N 118.189 -2.819 . . . . 2.8599999999999999 116.271 174.288 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 32.7 pt -73.78 -28.79 24.94 Favored 'Isoleucine or valine' 0 C--N 1.37 1.487 0 O-C-N 119.947 -1.721 . . . . 2.8599999999999999 109.356 -178.258 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.69 -33.98 73.29 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 115.149 -0.932 . . . . 2.8599999999999999 112.865 172.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 75.5 mt -75.4 -36.21 35.14 Favored 'Isoleucine or valine' 0 C--N 1.382 1.995 0 O-C-N 121.941 -0.474 . . . . 2.8599999999999999 110.496 -179.594 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.7 tp -76.78 -22.17 14.89 Favored 'Isoleucine or valine' 0 C--N 1.37 1.479 0 O-C-N 119.452 -2.03 . . . . 2.8599999999999999 108.912 177.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.3 tp -69.56 -48.24 60.98 Favored 'General case' 0 CA--C 1.579 2.072 0 O-C-N 118.111 -2.868 . . . . 2.8599999999999999 110.463 178.577 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -64.66 -38.68 91.83 Favored 'General case' 0 C--N 1.369 1.444 0 C-N-CA 130.693 3.597 . . . . 2.8599999999999999 117.623 173.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . 0.252 10.6 m-80 -70.46 -45.97 64.74 Favored 'General case' 0 N--CA 1.385 -3.69 0 C-N-CA 125.812 1.645 . . . . 2.8599999999999999 111.169 172.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -65.44 -34.91 79.39 Favored 'General case' 0 CA--C 1.57 1.726 0 CA-C-O 123.632 1.682 . . . . 2.8599999999999999 108.67 -178.123 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.9 ttpp -58.89 -43.93 91.05 Favored 'General case' 0 C--O 1.18 -2.605 0 O-C-N 117.611 -3.181 . . . . 2.8599999999999999 116.441 172.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -89.4 -47.39 8.05 Favored 'General case' 0 C--O 1.265 1.91 0 N-CA-C 115.148 1.536 . . . . 2.8599999999999999 115.148 -179.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . 0.294 19.8 ttmt -66.48 -66.02 0.61 Allowed 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 128.518 2.727 . . . . 2.8599999999999999 117.829 -176.411 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.37 1.484 0 O-C-N 123.81 0.694 . . . . 2.23 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt . . . . . 0 N--CA 1.515 2.778 0 N-CA-C 115.817 1.784 . . . . 2.8599999999999999 115.817 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 35.8 mtpt -91.97 2.99 56.2 Favored 'General case' 0 N--CA 1.517 2.893 0 N-CA-C 116.794 2.146 . . . . 2.8599999999999999 116.794 -177.17 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -112.87 133.74 54.71 Favored 'General case' 0 C--O 1.206 -1.19 0 O-C-N 119.639 -1.913 . . . . 2.8599999999999999 109.125 -176.034 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.07 9.01 74.45 Favored Glycine 0 C--N 1.391 3.588 0 C-N-CA 126.061 1.791 . . . . 2.3799999999999999 109.489 177.086 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 33.8 pt -94.83 -16.42 7.42 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.149 0 CA-C-N 123.447 3.624 . . . . 2.8599999999999999 113.974 173.523 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 26.6 p -38.62 -45.78 1.13 Allowed 'General case' 0 CA--C 1.571 1.783 0 N-CA-C 121.504 3.89 . . . . 2.8599999999999999 121.504 171.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -58.04 -43.6 86.92 Favored 'General case' 0 C--O 1.208 -1.089 1 C-N-CA 134.052 4.941 . . . . 2.8599999999999999 110.004 173.178 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -90.28 -26.15 20.17 Favored 'General case' 0 C--N 1.293 -1.858 0 O-C-N 119.158 -2.214 . . . . 2.8599999999999999 105.585 -169.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 69.4 m -64.6 -39.59 94.0 Favored 'General case' 0 C--O 1.203 -1.388 0 N-CA-C 115.894 1.812 . . . . 2.8599999999999999 115.894 166.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.281 74.4 m -75.37 -28.86 59.69 Favored 'General case' 0 C--O 1.206 -1.222 0 O-C-N 119.081 -2.262 . . . . 2.8599999999999999 108.571 171.776 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -66.05 -44.23 85.19 Favored 'General case' 0 C--O 1.261 1.677 0 O-C-N 118.103 -2.873 . . . . 2.8599999999999999 109.111 173.088 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.2 mt -65.42 -44.77 94.34 Favored 'Isoleucine or valine' 0 C--N 1.371 1.503 0 CA-C-O 126.169 2.89 . . . . 2.8599999999999999 108.55 -173.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 91.4 mt -67.01 -49.58 72.29 Favored 'Isoleucine or valine' 0 C--N 1.374 1.647 0 O-C-N 117.381 -3.325 . . . . 2.8599999999999999 110.645 -176.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.512 HD13 HD23 ' A' ' 17' ' ' LEU . 22.4 mm -69.78 -27.23 32.53 Favored 'Isoleucine or valine' 0 C--O 1.193 -1.899 1 O-C-N 115.902 -4.249 . . . . 2.8599999999999999 112.812 179.632 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 58.4 m -56.7 -46.68 81.07 Favored 'General case' 0 CA--C 1.574 1.881 0 N-CA-C 116.268 1.951 . . . . 2.8599999999999999 116.268 171.418 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.466 ' O ' HG23 ' A' ' 20' ' ' VAL . 85.8 m-85 -67.88 -41.96 81.98 Favored 'General case' 0 CA--C 1.56 1.357 0 CA-C-O 115.972 -1.966 . . . . 2.8599999999999999 110.744 169.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.512 HD23 HD13 ' A' ' 14' ' ' ILE . 33.9 tp -59.51 -47.49 85.33 Favored 'General case' 0 C--N 1.405 3.0 0 N-CA-C 117.02 2.23 . . . . 2.8599999999999999 117.02 -178.18 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 27.0 pt -63.28 -34.14 65.3 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.55 0 C-N-CA 116.216 -2.194 . . . . 2.8599999999999999 116.768 174.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 64.7 t -71.25 -42.2 74.75 Favored 'Isoleucine or valine' 0 N--CA 1.405 -2.712 0 C-N-CA 128.697 2.799 . . . . 2.8599999999999999 117.378 168.304 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 16' ' ' PHE . 83.9 t -69.84 -41.87 79.82 Favored 'Isoleucine or valine' 0 CA--C 1.463 -2.369 0 C-N-CA 120.192 -0.603 . . . . 2.8599999999999999 111.17 173.513 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -56.01 -40.35 73.26 Favored 'General case' 0 C--N 1.381 1.953 0 O-C-N 117.413 -3.304 . . . . 2.8599999999999999 115.077 170.05 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 26.9 ttt -68.8 -42.58 77.11 Favored 'General case' 0 CA--C 1.481 -1.681 0 O-C-N 118.324 -2.735 . . . . 2.8599999999999999 111.379 179.065 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -61.0 -51.74 67.95 Favored 'General case' 0 C--O 1.258 1.503 0 O-C-N 118.553 -2.592 . . . . 2.8599999999999999 110.093 178.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . 0.351 18.5 pt -62.35 -30.5 49.12 Favored 'Isoleucine or valine' 0 C--N 1.399 2.734 0 CA-C-O 123.294 1.521 . . . . 2.8599999999999999 111.366 -173.658 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.49 -45.32 60.02 Favored 'General case' 0 C--N 1.41 3.221 0 O-C-N 120.089 -1.632 . . . . 2.8599999999999999 111.069 175.056 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.4 mt -59.6 -36.76 67.05 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.964 1 N-CA-C 121.831 4.012 . . . . 2.8599999999999999 121.831 176.046 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . 0.456 9.9 tp -64.38 -35.16 73.46 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.901 0 C-N-CA 129.764 3.225 . . . . 2.8599999999999999 111.18 168.734 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.9 tp -60.33 -52.98 62.94 Favored 'General case' 0 N--CA 1.519 2.98 1 O-C-N 115.541 -4.475 . . . . 2.8599999999999999 116.687 170.211 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.2 tp10 -59.73 -52.87 63.64 Favored 'General case' 0 N--CA 1.392 -3.367 0 CA-C-N 112.094 -2.321 . . . . 2.8599999999999999 116.111 172.493 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -62.57 -37.53 86.55 Favored 'General case' 0 N--CA 1.424 -1.745 0 CA-C-O 113.034 -3.365 . . . . 2.8599999999999999 116.734 176.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -67.2 -41.92 85.02 Favored 'General case' 0 N--CA 1.408 -2.551 0 CA-C-N 122.276 2.307 . . . . 2.8599999999999999 111.081 174.02 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.7 ttpp -57.64 -38.48 75.09 Favored 'General case' 0 N--CA 1.427 -1.599 0 C-N-CA 128.071 2.548 . . . . 2.8599999999999999 113.474 173.375 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -67.35 -53.63 27.74 Favored 'General case' 0 C--N 1.379 1.867 0 C-N-CA 127.734 2.413 . . . . 2.8599999999999999 111.023 177.207 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.06 -47.82 78.67 Favored 'General case' 0 CA--C 1.608 3.201 0 O-C-N 119.435 -2.041 . . . . 2.8599999999999999 112.166 176.796 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.365 1.276 1 O-C-N 116.188 -4.07 . . . . 2.23 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 12.7 tptm . . . . . 0 N--CA 1.492 1.656 0 CA-C-O 123.167 1.46 . . . . 2.8599999999999999 109.372 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.9 ptmm? -49.92 144.03 7.08 Favored 'General case' 0 N--CA 1.414 -2.241 0 CA-C-O 124.73 2.205 . . . . 2.8599999999999999 111.484 176.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.3 ttpt -54.57 128.46 32.33 Favored 'General case' 0 CA--C 1.562 1.417 0 N-CA-C 115.553 1.686 . . . . 2.8599999999999999 115.553 165.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.23 -63.34 0.56 Allowed Glycine 0 C--N 1.36 1.889 0 CA-C-O 122.623 1.124 . . . . 2.3799999999999999 114.207 -174.32 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 8.0 tp -85.23 -23.68 7.17 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.808 0 O-C-N 120.731 -1.453 . . . . 2.8599999999999999 109.845 -172.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 28.2 p -51.38 -38.86 55.5 Favored 'General case' 0 CA--C 1.593 2.621 0 C-N-CA 126.764 2.025 . . . . 2.8599999999999999 112.329 167.096 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -66.55 -42.96 86.34 Favored 'General case' 0 C--N 1.384 2.108 0 C-N-CA 119.792 -0.763 . . . . 2.8599999999999999 109.71 179.318 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -63.83 -47.06 82.31 Favored 'General case' 0 C--N 1.283 -2.285 0 C-N-CA 127.965 2.506 . . . . 2.8599999999999999 111.203 178.232 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 92.3 m -52.56 -49.36 65.08 Favored 'General case' 0 CA--C 1.582 2.211 0 CA-C-O 122.06 0.933 . . . . 2.8599999999999999 112.003 170.447 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.5 m -57.74 -47.8 81.44 Favored 'General case' 0 C--O 1.192 -1.943 0 C-N-CA 129.468 3.107 . . . . 2.8599999999999999 109.809 -174.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -66.18 -34.41 77.96 Favored 'General case' 0 CA--C 1.564 1.502 0 C-N-CA 124.674 1.19 . . . . 2.8599999999999999 113.765 177.38 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.2 mt -64.9 -46.65 91.15 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.161 1 O-C-N 115.554 -4.466 . . . . 2.8599999999999999 110.464 172.301 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 97.0 mt -60.07 -45.65 95.34 Favored 'Isoleucine or valine' 0 N--CA 1.535 3.798 0 O-C-N 119.902 -1.749 . . . . 2.8599999999999999 114.905 173.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 10.3 mm -59.12 -37.87 70.81 Favored 'Isoleucine or valine' 0 C--N 1.364 1.237 0 O-C-N 117.93 -2.981 . . . . 2.8599999999999999 114.582 165.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 59.2 m -65.63 -44.9 85.04 Favored 'General case' 0 N--CA 1.505 2.303 0 O-C-N 117.525 -3.234 . . . . 2.8599999999999999 109.53 173.497 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -69.98 -18.71 63.35 Favored 'General case' 0 C--O 1.215 -0.731 0 CA-C-N 122.45 2.386 . . . . 2.8599999999999999 114.267 176.197 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.6 tp -72.17 -32.97 67.33 Favored 'General case' 0 C--N 1.41 3.221 0 CA-C-O 124.142 1.925 . . . . 2.8599999999999999 108.153 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 53.5 mt -78.38 -37.97 22.36 Favored 'Isoleucine or valine' 0 CA--C 1.453 -2.767 0 O-C-N 117.532 -3.23 . . . . 2.8599999999999999 112.7 176.6 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 75.2 t -61.19 -48.58 88.34 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.348 0 O-C-N 117.924 -2.985 . . . . 2.8599999999999999 114.769 169.232 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 31.1 t -59.38 -50.14 80.97 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.63 0 N-CA-C 117.677 2.473 . . . . 2.8599999999999999 117.677 167.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . 0.268 58.5 m-80 -67.32 -31.65 72.09 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 117.454 -3.279 . . . . 2.8599999999999999 113.775 173.732 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 87.4 mtp -59.45 -47.61 84.81 Favored 'General case' 0 C--O 1.183 -2.439 0 N-CA-C 116.083 1.883 . . . . 2.8599999999999999 116.083 166.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -56.14 -52.59 63.81 Favored 'General case' 0 C--N 1.412 3.312 0 O-C-N 125.497 1.748 . . . . 2.8599999999999999 108.773 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . 0.295 35.1 pt -63.67 -27.85 43.78 Favored 'Isoleucine or valine' 1 CA--C 1.649 4.761 0 C-N-CA 115.177 -2.609 . . . . 2.8599999999999999 111.392 -176.718 . . . . . . . . 3 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.02 -45.73 66.57 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 119.649 -1.907 . . . . 2.8599999999999999 115.903 174.557 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . 0.442 4.5 pt -62.46 -38.39 81.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 N-CA-C 121.392 3.849 . . . . 2.8599999999999999 121.392 176.711 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.419 HD12 ' HA ' ' A' ' 27' ' ' ILE . 5.7 tp -69.6 -22.21 25.09 Favored 'Isoleucine or valine' 0 CA--C 1.467 -2.212 0 O-C-N 118.24 -2.788 . . . . 2.8599999999999999 112.324 168.54 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.2 tp -71.53 -42.3 68.11 Favored 'General case' 0 C--N 1.375 1.685 0 O-C-N 118.72 -2.488 . . . . 2.8599999999999999 110.349 172.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.33 -48.43 71.39 Favored 'General case' 0 C--N 1.37 1.492 0 O-C-N 126.014 2.071 . . . . 2.8599999999999999 115.515 170.694 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -62.95 -37.15 85.92 Favored 'General case' 0 C--O 1.195 -1.8 0 CA-C-N 119.955 1.252 . . . . 2.8599999999999999 114.229 170.348 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -65.04 -38.33 90.52 Favored 'General case' 0 C--N 1.386 2.182 0 N-CA-C 116.422 2.008 . . . . 2.8599999999999999 116.422 177.281 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -86.41 -15.52 40.06 Favored 'General case' 0 N--CA 1.499 1.979 0 C-N-CA 118.68 -1.208 . . . . 2.8599999999999999 112.252 178.367 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -65.03 -50.94 64.28 Favored 'General case' 0 N--CA 1.414 -2.246 0 O-C-N 119.877 -1.765 . . . . 2.8599999999999999 114.076 169.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -61.41 -56.95 14.54 Favored 'General case' 0 CA--C 1.589 2.476 0 C-N-CA 129.627 3.171 . . . . 2.8599999999999999 110.813 174.447 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 0.593 1 O-C-N 115.782 -4.324 . . . . 2.23 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 16.4 ptmt . . . . . 0 N--CA 1.525 3.314 0 CA-C-O 116.83 -1.557 . . . . 2.8599999999999999 114.916 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 26.5 mtpt -108.56 12.14 26.23 Favored 'General case' 0 C--N 1.38 1.914 0 N-CA-C 115.99 1.848 . . . . 2.8599999999999999 115.99 -178.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 58.6 mttm -131.08 157.63 42.57 Favored 'General case' 0 N--CA 1.398 -3.048 0 N-CA-C 107.46 -1.311 . . . . 2.8599999999999999 107.46 167.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.87 -1.51 83.75 Favored Glycine 0 C--N 1.38 2.986 0 CA-C-O 124.249 2.027 . . . . 2.3799999999999999 113.772 -172.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 28.2 pt -105.57 -5.83 9.89 Favored 'Isoleucine or valine' 0 C--N 1.373 1.595 0 O-C-N 118.817 -2.578 . . . . 2.8599999999999999 111.507 -172.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 20.8 p -69.2 -34.63 75.19 Favored 'General case' 0 C--O 1.202 -1.446 1 O-C-N 114.699 -5.001 . . . . 2.8599999999999999 116.98 -174.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -68.9 -40.45 79.14 Favored 'General case' 0 C--N 1.364 1.199 0 O-C-N 117.767 -3.083 . . . . 2.8599999999999999 110.82 172.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -69.37 -42.21 75.5 Favored 'General case' 0 CA--C 1.571 1.753 0 CA-C-O 114.211 -2.804 . . . . 2.8599999999999999 111.805 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 88.7 m -63.07 -43.44 98.56 Favored 'General case' 0 N--CA 1.434 -1.248 0 O-C-N 125.615 1.822 . . . . 2.8599999999999999 112.45 175.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 69.1 m -58.52 -45.62 88.45 Favored 'General case' 0 C--O 1.246 0.887 0 N-CA-C 115.113 1.523 . . . . 2.8599999999999999 115.113 172.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -58.77 -36.18 73.98 Favored 'General case' 0 N--CA 1.501 2.093 0 N-CA-C 115.657 1.725 . . . . 2.8599999999999999 115.657 168.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 10.8 mt -71.03 -31.8 46.2 Favored 'Isoleucine or valine' 0 C--O 1.274 2.387 0 O-C-N 118.847 -2.408 . . . . 2.8599999999999999 115.233 173.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . 0.258 12.3 mt -66.11 -45.87 89.28 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.02 0 O-C-N 118.065 -2.897 . . . . 2.8599999999999999 110.155 171.497 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 35.0 mm -60.19 -49.85 82.51 Favored 'Isoleucine or valine' 0 C--N 1.387 2.224 1 C-N-CA 132.212 4.205 . . . . 2.8599999999999999 109.564 -178.091 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 68.5 m -62.85 -36.44 83.23 Favored 'General case' 0 C--O 1.192 -1.953 0 CA-C-O 124.126 1.917 . . . . 2.8599999999999999 114.948 178.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . 0.257 30.2 m-85 -64.78 -44.1 91.09 Favored 'General case' 0 C--N 1.4 2.8 0 N-CA-C 115.991 1.848 . . . . 2.8599999999999999 115.991 167.289 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.7 tp -64.01 -48.33 76.8 Favored 'General case' 0 C--N 1.315 -0.898 1 C-N-CA 132.33 4.252 . . . . 2.8599999999999999 113.278 -178.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 13.0 pt -55.78 -40.73 62.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 124.78 3.445 . . . . 2.8599999999999999 114.851 174.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 41.0 t -69.06 -45.48 79.95 Favored 'Isoleucine or valine' 0 C--O 1.261 1.69 0 CA-C-O 125.598 2.618 . . . . 2.8599999999999999 109.369 177.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.0 t -60.94 -41.75 90.16 Favored 'Isoleucine or valine' 0 C--O 1.263 1.795 1 O-C-N 116.189 -4.069 . . . . 2.8599999999999999 111.53 -178.273 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.1 m-20 -71.74 -40.43 69.39 Favored 'General case' 0 CA--C 1.473 -1.989 0 CA-C-O 124.383 2.04 . . . . 2.8599999999999999 110.927 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 9.9 ttt -70.57 -38.8 74.14 Favored 'General case' 0 C--O 1.258 1.531 0 O-C-N 116.881 -3.637 . . . . 2.8599999999999999 115.937 178.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.423 ' O ' HG22 ' A' ' 27' ' ' ILE . 45.3 t80 -62.23 -49.18 76.76 Favored 'General case' 0 C--N 1.37 1.472 0 C-N-CA 129.411 3.084 . . . . 2.8599999999999999 108.67 174.362 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . 0.37 10.7 pt -61.06 -20.28 21.8 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.492 0 O-C-N 118.27 -2.769 . . . . 2.8599999999999999 118.312 176.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.05 -40.55 19.76 Favored 'General case' 0 N--CA 1.414 -2.255 0 CA-C-O 115.456 -2.211 . . . . 2.8599999999999999 109.859 173.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 98.0 mt -79.27 -37.55 19.19 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 CA-C-N 120.808 1.64 . . . . 2.8599999999999999 107.4 -174.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.423 HG22 ' O ' ' A' ' 23' ' ' TYR . 6.8 tp -87.82 -17.3 8.67 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.032 0 O-C-N 119.139 -2.226 . . . . 2.8599999999999999 109.878 -169.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 54.1 tp -70.04 -42.34 73.03 Favored 'General case' 0 CA--C 1.476 -1.88 0 O-C-N 118.286 -2.759 . . . . 2.8599999999999999 108.314 163.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -64.79 -48.3 74.97 Favored 'General case' 0 C--N 1.399 2.743 0 C-N-CA 128.978 2.911 . . . . 2.8599999999999999 110.064 179.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . 0.294 20.6 m-80 -62.81 -37.17 85.69 Favored 'General case' 0 N--CA 1.398 -3.036 0 O-C-N 118.946 -2.346 . . . . 2.8599999999999999 114.979 175.192 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -64.53 -50.81 65.88 Favored 'General case' 0 C--O 1.259 1.603 0 CA-C-O 121.417 0.627 . . . . 2.8599999999999999 109.48 174.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.3 ttpp -56.3 -39.97 73.56 Favored 'General case' 0 C--N 1.274 -2.715 0 CA-C-O 125.383 2.516 . . . . 2.8599999999999999 117.008 175.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.4 tttp -66.36 -44.74 82.37 Favored 'General case' 0 CA--C 1.609 3.238 0 CA-C-O 127.267 3.413 . . . . 2.8599999999999999 110.447 -179.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.16 -47.11 87.3 Favored 'General case' 0 C--N 1.292 -1.897 0 O-C-N 118.84 -2.412 . . . . 2.8599999999999999 109.742 178.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 0.469 0 O-C-N 124.741 1.276 . . . . 2.23 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 22.2 pttp . . . . . 0 N--CA 1.533 3.689 0 CA-C-O 122.067 0.937 . . . . 2.8599999999999999 112.841 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -59.08 144.27 46.01 Favored 'General case' 0 N--CA 1.414 -2.236 0 N-CA-C 119.563 3.171 . . . . 2.8599999999999999 119.563 172.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 24.9 mtpt -75.44 14.06 0.66 Allowed 'General case' 0 N--CA 1.499 2.019 0 O-C-N 116.885 -3.634 . . . . 2.8599999999999999 113.122 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.67 165.46 12.4 Favored Glycine 0 C--O 1.289 3.539 0 C-N-CA 128.155 2.788 . . . . 2.3799999999999999 113.34 173.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 10.8 tp -102.24 8.11 9.39 Favored 'Isoleucine or valine' 1 C--N 1.433 4.218 0 CA-C-N 111.329 -2.435 . . . . 2.8599999999999999 107.87 -162.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 12.4 p -60.28 -32.55 71.29 Favored 'General case' 0 C--N 1.381 1.945 0 N-CA-C 118.129 2.641 . . . . 2.8599999999999999 118.129 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -69.12 -35.12 76.06 Favored 'General case' 0 N--CA 1.422 -1.857 1 O-C-N 116.094 -4.129 . . . . 2.8599999999999999 114.318 171.284 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -64.71 -42.02 95.58 Favored 'General case' 0 C--O 1.277 2.509 0 C-N-CA 127.303 2.241 . . . . 2.8599999999999999 114.719 166.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 37.9 t -71.63 -36.53 70.76 Favored 'General case' 0 C--O 1.2 -1.538 0 O-C-N 118.601 -2.562 . . . . 2.8599999999999999 110.966 177.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.5 m -63.76 -34.07 77.07 Favored 'General case' 0 C--O 1.187 -2.185 0 O-C-N 120.113 -1.617 . . . . 2.8599999999999999 114.997 -178.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.559 ' HA ' HG12 ' A' ' 14' ' ' ILE . 8.1 m-85 -65.26 -29.16 69.91 Favored 'General case' 0 C--O 1.266 1.949 0 N-CA-C 117.082 2.253 . . . . 2.8599999999999999 117.082 168.228 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 65.8 mt -66.57 -48.07 81.55 Favored 'Isoleucine or valine' 0 C--O 1.266 1.96 0 N-CA-C 113.762 1.023 . . . . 2.8599999999999999 113.762 166.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 50.8 mt -53.91 -35.55 28.29 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.102 0 CA-C-O 115.574 -2.155 . . . . 2.8599999999999999 116.445 171.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.559 HG12 ' HA ' ' A' ' 11' ' ' TYR . 29.3 pt -79.3 -28.53 13.37 Favored 'Isoleucine or valine' 0 N--CA 1.411 -2.399 0 CA-C-N 122.187 2.267 . . . . 2.8599999999999999 110.087 178.278 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.5 m -66.13 -36.21 82.54 Favored 'General case' 0 CA--C 1.464 -2.363 0 O-C-N 117.649 -3.157 . . . . 2.8599999999999999 116.671 168.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.8 m-30 -63.69 -47.26 81.93 Favored 'General case' 0 CA--C 1.494 -1.195 0 C-N-CA 128.821 2.849 . . . . 2.8599999999999999 111.714 168.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.1 tp -51.85 -37.04 50.48 Favored 'General case' 0 C--N 1.361 1.078 0 CA-C-O 125.618 2.628 . . . . 2.8599999999999999 116.486 -168.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 pt -76.45 -17.46 15.02 Favored 'Isoleucine or valine' 0 C--O 1.256 1.416 0 O-C-N 119.516 -1.99 . . . . 2.8599999999999999 116.237 176.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 57.5 t -86.39 -31.62 6.4 Favored 'Isoleucine or valine' 0 N--CA 1.401 -2.917 0 C-N-CA 117.504 -1.679 . . . . 2.8599999999999999 109.052 174.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 31.2 t -50.9 -54.91 8.51 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.975 0 C-N-CA 127.428 2.291 . . . . 2.8599999999999999 113.599 164.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -59.12 -39.53 82.62 Favored 'General case' 0 C--N 1.405 2.984 0 CA-C-O 117.04 -1.457 . . . . 2.8599999999999999 112.281 175.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 27.3 mtt -63.92 -43.05 97.08 Favored 'General case' 0 CA--C 1.485 -1.537 0 CA-C-N 120.247 1.385 . . . . 2.8599999999999999 113.18 175.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -55.97 -40.38 73.17 Favored 'General case' 0 C--O 1.194 -1.838 0 C-N-CA 127.175 2.19 . . . . 2.8599999999999999 114.116 168.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.407 HG21 HD13 ' A' ' 24' ' ' ILE . 61.7 mt -68.33 -41.91 83.95 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.577 0 O-C-N 121.507 -0.746 . . . . 2.8599999999999999 110.084 172.063 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.18 -42.68 99.5 Favored 'General case' 0 CA--C 1.579 2.06 0 O-C-N 117.144 -3.472 . . . . 2.8599999999999999 111.568 -176.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.2 mt -71.16 -44.04 74.52 Favored 'Isoleucine or valine' 0 C--O 1.29 3.235 0 CA-C-O 118.421 -0.799 . . . . 2.8599999999999999 112.635 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 16.7 pt -60.74 -38.4 78.65 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.113 0 C-N-CA 115.697 -2.401 . . . . 2.8599999999999999 117.196 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 44.8 mt -53.74 -46.27 70.81 Favored 'General case' 0 C--N 1.378 1.838 0 C-N-CA 128.223 2.609 . . . . 2.8599999999999999 110.977 173.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -66.25 -46.53 76.79 Favored 'General case' 0 C--O 1.204 -1.334 0 C-N-CA 126.167 1.787 . . . . 2.8599999999999999 110.141 173.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -64.99 -39.14 93.02 Favored 'General case' 0 CA--C 1.57 1.731 0 O-C-N 117.518 -3.239 . . . . 2.8599999999999999 108.683 -179.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -50.76 -33.64 24.02 Favored 'General case' 0 C--N 1.383 2.055 0 N-CA-C 114.207 1.188 . . . . 2.8599999999999999 114.207 174.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 74.3 tttt -69.85 -43.8 71.2 Favored 'General case' 0 C--O 1.255 1.375 0 N-CA-C 115.133 1.531 . . . . 2.8599999999999999 115.133 172.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -72.77 -43.65 62.58 Favored 'General case' 0 C--N 1.367 1.335 0 N-CA-C 117.985 2.587 . . . . 2.8599999999999999 117.985 -177.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . 0.252 73.2 mmtt -92.76 68.02 4.56 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 119.353 -2.092 . . . . 2.8599999999999999 116.63 177.12 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.344 0.343 0 CA-C-N 115.038 -0.983 . . . . 2.23 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 76.5 tttt . . . . . 0 N--CA 1.477 0.898 0 N-CA-C 113.893 1.071 . . . . 2.8599999999999999 113.893 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . 0.258 60.8 pttt -77.99 -11.91 59.94 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-O 115.756 -2.068 . . . . 2.8599999999999999 112.779 -154.455 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -62.73 -42.96 99.92 Favored 'General case' 0 N--CA 1.427 -1.6 0 O-C-N 127.133 2.771 . . . . 2.8599999999999999 115.179 -162.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.52 -3.23 27.31 Favored Glycine 0 C--N 1.39 3.554 0 O-C-N 117.946 -2.971 . . . . 2.3799999999999999 114.842 176.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 34.8 pt -105.1 0.09 10.14 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.854 0 CA-C-N 121.248 2.524 . . . . 2.8599999999999999 114.694 -175.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 9.5 p -61.92 -29.94 70.55 Favored 'General case' 0 C--O 1.175 -2.827 0 C-N-CA 126.328 1.851 . . . . 2.8599999999999999 109.221 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -63.39 -42.15 98.8 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 125.836 1.96 . . . . 2.8599999999999999 109.845 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -72.07 -44.66 62.94 Favored 'General case' 0 C--O 1.189 -2.106 0 O-C-N 116.313 -3.992 . . . . 2.8599999999999999 105.969 179.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 87.5 m -59.22 -43.88 92.31 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-O 117.11 -1.424 . . . . 2.8599999999999999 108.455 -174.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.4 m -65.1 -33.41 75.95 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 126.852 2.061 . . . . 2.8599999999999999 113.531 -176.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -57.17 -40.97 78.37 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.635 -1.291 . . . . 2.8599999999999999 114.262 168.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.0 mm -65.32 -46.17 91.24 Favored 'Isoleucine or valine' 0 C--O 1.186 -2.263 0 CA-C-O 124.422 2.058 . . . . 2.8599999999999999 110.829 176.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 42.7 mm -58.53 -46.08 90.0 Favored 'Isoleucine or valine' 0 C--N 1.374 1.661 0 O-C-N 118.468 -2.645 . . . . 2.8599999999999999 113.363 177.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . 0.28 8.1 mm -66.17 -32.98 60.53 Favored 'Isoleucine or valine' 0 N--CA 1.411 -2.378 0 CA-C-O 126.26 2.933 . . . . 2.8599999999999999 112.579 176.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 46.1 m -66.77 -39.96 88.02 Favored 'General case' 0 C--O 1.275 2.399 1 O-C-N 115.915 -4.241 . . . . 2.8599999999999999 116.005 171.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -58.37 -32.99 69.1 Favored 'General case' 0 C--O 1.175 -2.831 0 C-N-CA 128.023 2.529 . . . . 2.8599999999999999 109.434 174.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.8 mt -70.51 -41.95 71.94 Favored 'General case' 0 C--O 1.171 -3.028 0 O-C-N 118.524 -2.61 . . . . 2.8599999999999999 106.156 -177.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 24.5 mm -71.36 -52.84 23.69 Favored 'Isoleucine or valine' 0 C--N 1.388 2.253 0 O-C-N 116.95 -3.594 . . . . 2.8599999999999999 111.489 -175.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 97.4 t -52.55 -42.08 38.8 Favored 'Isoleucine or valine' 0 C--N 1.375 1.683 0 C-N-CA 129.827 3.251 . . . . 2.8599999999999999 115.926 167.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.3 t -59.32 -51.17 75.81 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.464 0 CA-C-N 119.941 1.246 . . . . 2.8599999999999999 110.213 172.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -56.1 -34.04 65.66 Favored 'General case' 0 CA--C 1.497 -1.077 0 C-N-CA 127.905 2.482 . . . . 2.8599999999999999 116.996 174.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 75.4 mmm -65.94 -37.61 86.47 Favored 'General case' 0 N--CA 1.425 -1.711 0 N-CA-C 112.92 0.711 . . . . 2.8599999999999999 112.92 169.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -65.27 -44.47 87.98 Favored 'General case' 0 C--N 1.381 1.94 0 O-C-N 125.772 1.92 . . . . 2.8599999999999999 110.772 170.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 19.7 mm -56.01 -45.26 80.24 Favored 'Isoleucine or valine' 0 CA--C 1.479 -1.783 0 O-C-N 117.927 -2.983 . . . . 2.8599999999999999 112.591 171.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.44 -45.03 94.92 Favored 'General case' 0 CA--C 1.466 -2.275 0 CA-C-O 125.253 2.454 . . . . 2.8599999999999999 115.443 173.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 74.0 mt -59.35 -39.69 79.63 Favored 'Isoleucine or valine' 0 C--N 1.409 3.179 1 O-C-N 114.494 -5.129 . . . . 2.8599999999999999 113.617 170.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.5 mm -66.15 -44.77 91.52 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 O-C-N 120.53 -1.356 . . . . 2.8599999999999999 108.829 178.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.405 ' HA ' HD23 ' A' ' 28' ' ' LEU . 75.7 mt -65.47 -27.87 68.8 Favored 'General case' 0 C--N 1.373 1.588 0 O-C-N 118.598 -2.564 . . . . 2.8599999999999999 111.377 176.228 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -78.37 -37.29 44.6 Favored 'General case' 0 C--N 1.375 1.698 0 C-N-CA 117.135 -1.826 . . . . 2.8599999999999999 110.347 173.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 41.7 m-20 -64.55 -32.73 74.5 Favored 'General case' 0 N--CA 1.413 -2.307 1 O-C-N 115.826 -4.296 . . . . 2.8599999999999999 119.574 174.378 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -63.9 -38.74 92.22 Favored 'General case' 0 C--O 1.274 2.378 0 CA-C-N 114.036 -1.438 . . . . 2.8599999999999999 111.458 -177.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.6 tptt -68.74 -45.09 72.39 Favored 'General case' 0 C--N 1.368 1.383 0 O-C-N 127.143 2.777 . . . . 2.8599999999999999 108.364 177.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 70.1 mttt -63.0 -46.96 85.2 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 129.507 3.123 . . . . 2.8599999999999999 114.106 178.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -87.33 0.53 55.29 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-O 124.919 2.295 . . . . 2.8599999999999999 113.897 179.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 0.482 0 O-C-N 118.741 -2.474 . . . . 2.23 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 13.1 pttp . . . . . 0 CA--C 1.565 1.542 0 N-CA-C 114.156 1.169 . . . . 2.8599999999999999 114.156 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.5 mmtp -59.16 149.93 26.78 Favored 'General case' 0 N--CA 1.481 1.085 0 O-C-N 117.828 -3.045 . . . . 2.8599999999999999 111.664 164.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 12.1 mtpt -82.63 -7.43 59.65 Favored 'General case' 1 C--O 1.119 -5.79 0 N-CA-C 115.092 1.515 . . . . 2.8599999999999999 115.092 -171.661 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.7 -174.22 20.45 Favored Glycine 0 CA--C 1.484 -1.894 0 CA-C-O 123.363 1.535 . . . . 2.3799999999999999 112.438 174.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 7.0 tp -102.42 3.7 10.64 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.977 0 C-N-CA 128.357 2.663 . . . . 2.8599999999999999 105.275 -170.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 29.3 p -64.79 -38.56 91.38 Favored 'General case' 0 N--CA 1.421 -1.878 0 C-N-CA 128.032 2.533 . . . . 2.8599999999999999 114.284 -164.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -71.56 -42.44 67.82 Favored 'General case' 0 CA--C 1.45 -2.875 0 C-N-CA 115.47 -2.492 . . . . 2.8599999999999999 112.286 -178.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -72.83 -31.9 65.12 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 125.616 1.822 . . . . 2.8599999999999999 107.798 -179.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.432 ' HA ' HD12 ' A' ' 12' ' ' ILE 0.283 8.7 t -58.68 -36.89 74.92 Favored 'General case' 0 N--CA 1.415 -2.195 3 O-C-N 112.671 -6.268 . . . . 2.8599999999999999 114.329 167.259 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 44.0 m -84.96 -17.32 38.05 Favored 'General case' 0 N--CA 1.432 -1.336 0 CA-C-O 123.834 1.778 . . . . 2.8599999999999999 109.469 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . 0.284 6.0 m-85 -75.75 -25.83 56.89 Favored 'General case' 0 C--N 1.387 2.224 0 O-C-N 117.719 -3.113 . . . . 2.8599999999999999 115.898 161.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.432 HD12 ' HA ' ' A' ' 9' ' ' CYS . 49.8 mt -66.33 -46.21 87.6 Favored 'Isoleucine or valine' 0 C--O 1.245 0.83 0 O-C-N 117.253 -3.404 . . . . 2.8599999999999999 115.156 165.378 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 80.7 mt -56.12 -44.32 78.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 CA-C-O 114.178 -2.82 . . . . 2.8599999999999999 113.864 178.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 36.4 pt -58.45 -41.3 81.25 Favored 'Isoleucine or valine' 0 C--N 1.39 2.367 0 O-C-N 127.389 2.931 . . . . 2.8599999999999999 115.048 169.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 68.3 m -65.26 -37.64 87.84 Favored 'General case' 0 C--N 1.366 1.288 0 O-C-N 121.315 -0.865 . . . . 2.8599999999999999 112.406 174.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.8 m-30 -70.09 -37.74 75.51 Favored 'General case' 0 N--CA 1.505 2.282 0 O-C-N 118.822 -2.424 . . . . 2.8599999999999999 115.218 172.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.2 tp -55.12 -35.63 64.86 Favored 'General case' 0 CA--C 1.598 2.817 0 N-CA-C 120.594 3.553 . . . . 2.8599999999999999 120.594 179.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.5 pt -65.09 -33.53 64.33 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.079 0 CA-C-N 113.038 -1.892 . . . . 2.8599999999999999 110.85 176.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.416 ' H ' HG23 ' A' ' 19' ' ' VAL . 0.6 OUTLIER -72.17 -42.05 66.87 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 O-C-N 117.901 -2.999 . . . . 2.8599999999999999 107.148 177.602 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 97.3 t -52.51 -48.39 46.7 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.194 0 O-C-N 118.543 -2.598 . . . . 2.8599999999999999 112.011 169.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -59.09 -47.16 86.28 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 126.259 1.824 . . . . 2.8599999999999999 110.918 178.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 17.4 mtt -69.61 -37.57 76.93 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 127.751 3.157 . . . . 2.8599999999999999 110.172 -175.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.279 53.7 t80 -60.93 -43.3 98.83 Favored 'General case' 0 C--N 1.393 2.458 0 O-C-N 116.352 -3.967 . . . . 2.8599999999999999 114.331 168.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.508 ' HA ' HG12 ' A' ' 27' ' ' ILE . 61.1 mt -62.4 -43.38 98.13 Favored 'Isoleucine or valine' 1 N--CA 1.542 4.174 0 O-C-N 118.284 -2.76 . . . . 2.8599999999999999 113.635 -179.54 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.75 -47.47 76.91 Favored 'General case' 0 CA--C 1.556 1.189 0 O-C-N 127.148 2.78 . . . . 2.8599999999999999 116.971 169.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 70.4 mt -59.66 -46.29 93.46 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.981 0 C-N-CA 127.157 2.183 . . . . 2.8599999999999999 109.635 171.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.508 HG12 ' HA ' ' A' ' 24' ' ' ILE 0.425 32.3 pt -64.88 -42.81 95.83 Favored 'Isoleucine or valine' 0 CA--C 1.582 2.203 0 CA-C-N 122.711 2.505 . . . . 2.8599999999999999 117.075 175.839 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 68.2 mt -59.31 -30.78 68.59 Favored 'General case' 0 C--N 1.389 2.323 0 O-C-N 126.831 2.582 . . . . 2.8599999999999999 113.676 174.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -71.96 -44.95 62.74 Favored 'General case' 0 CA--C 1.484 -1.559 0 CA-C-O 123.245 1.498 . . . . 2.8599999999999999 115.02 169.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -59.81 -35.19 74.2 Favored 'General case' 0 C--N 1.381 1.949 0 C-N-CA 126.545 1.938 . . . . 2.8599999999999999 111.49 -172.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 22.4 m-30 -66.93 -39.71 87.42 Favored 'General case' 0 CA--C 1.598 2.791 0 O-C-N 120.029 -1.669 . . . . 2.8599999999999999 109.955 -174.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -62.49 -33.05 74.09 Favored 'General case' 0 CA--C 1.565 1.553 0 CA-C-O 123.904 1.811 . . . . 2.8599999999999999 112.015 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 59.0 mttt -81.44 -43.4 18.96 Favored 'General case' 0 C--O 1.266 1.958 0 O-C-N 116.322 -3.986 . . . . 2.8599999999999999 114.842 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 68.4 mmtt -98.54 99.58 10.74 Favored 'General case' 0 C--O 1.244 0.812 0 CA-C-O 126.538 3.066 . . . . 2.8599999999999999 109.132 -174.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.413 3.355 0 O-C-N 118.133 -2.854 . . . . 2.23 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 39.3 pttt . . . . . 0 N--CA 1.493 1.707 0 CA-C-O 121.092 0.472 . . . . 2.8599999999999999 111.432 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 58.1 tttp -70.27 -48.39 57.03 Favored 'General case' 0 C--N 1.395 2.58 0 O-C-N 120.043 -1.661 . . . . 2.8599999999999999 110.96 179.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -64.43 -44.9 89.71 Favored 'General case' 0 N--CA 1.485 1.282 0 N-CA-C 115.691 1.737 . . . . 2.8599999999999999 115.691 -167.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.87 -0.73 89.09 Favored Glycine 1 N--CA 1.526 4.676 0 N-CA-C 117.599 1.8 . . . . 2.3799999999999999 117.599 -168.331 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -85.61 -7.74 10.99 Favored 'Isoleucine or valine' 0 N--CA 1.409 -2.497 1 O-C-N 115.891 -4.299 . . . . 2.8599999999999999 107.903 -173.748 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 74.8 m -77.38 -42.22 37.23 Favored 'General case' 0 C--N 1.394 2.525 0 CA-C-N 119.259 0.936 . . . . 2.8599999999999999 110.975 178.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -51.84 -53.36 41.16 Favored 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 113.162 0.801 . . . . 2.8599999999999999 113.162 172.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.52 ' CE2' HD11 ' A' ' 12' ' ' ILE . 70.2 t80 -77.39 -33.48 55.1 Favored 'General case' 0 N--CA 1.387 -3.582 0 C-N-CA 118.343 -1.343 . . . . 2.8599999999999999 114.156 -171.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 11.9 t -60.57 -42.64 97.06 Favored 'General case' 0 C--O 1.206 -1.203 0 CA-C-N 114.402 -1.272 . . . . 2.8599999999999999 109.313 170.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 65.4 m -58.61 -39.81 81.48 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 113.867 1.062 . . . . 2.8599999999999999 113.867 176.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -67.48 -36.94 82.1 Favored 'General case' 0 N--CA 1.522 3.17 0 O-C-N 120.138 -1.601 . . . . 2.8599999999999999 108.77 175.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.52 HD11 ' CE2' ' A' ' 8' ' ' PHE . 97.1 mt -66.73 -44.09 89.67 Favored 'Isoleucine or valine' 0 C--N 1.374 1.66 0 O-C-N 117.874 -3.016 . . . . 2.8599999999999999 112.982 174.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 27.5 mm -63.4 -50.95 76.55 Favored 'Isoleucine or valine' 0 CA--C 1.452 -2.804 0 O-C-N 119.458 -2.026 . . . . 2.8599999999999999 114.377 177.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . 0.251 2.8 pt -55.68 -40.88 62.54 Favored 'Isoleucine or valine' 0 CA--C 1.436 -3.433 0 CA-C-N 123.223 2.738 . . . . 2.8599999999999999 113.025 169.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 59.6 m -59.26 -38.21 79.5 Favored 'General case' 0 CA--C 1.577 1.984 0 CA-C-O 123.949 1.833 . . . . 2.8599999999999999 111.518 179.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -85.02 -23.95 28.4 Favored 'General case' 0 C--N 1.382 2.0 0 O-C-N 118.435 -2.665 . . . . 2.8599999999999999 110.779 -170.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 26.1 tp -64.39 -51.97 60.6 Favored 'General case' 0 C--N 1.366 1.285 0 C-N-CA 129.304 3.042 . . . . 2.8599999999999999 111.105 177.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 49.2 mm -54.3 -39.89 45.64 Favored 'Isoleucine or valine' 0 C--N 1.268 -2.959 0 O-C-N 127.87 3.231 . . . . 2.8599999999999999 117.447 164.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 48.4 t -68.22 -41.04 83.66 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 O-C-N 118.396 -2.69 . . . . 2.8599999999999999 115.144 169.043 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.0 t -59.51 -47.52 90.54 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.404 0 C-N-CA 127.745 2.418 . . . . 2.8599999999999999 111.34 163.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -72.74 -34.94 67.38 Favored 'General case' 0 C--N 1.37 1.469 0 CA-C-N 122.351 2.341 . . . . 2.8599999999999999 109.753 -171.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 60.1 tpp -63.03 -32.04 73.31 Favored 'General case' 0 C--N 1.38 1.932 0 O-C-N 119.107 -2.246 . . . . 2.8599999999999999 109.952 -177.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -71.22 -45.39 63.44 Favored 'General case' 0 CA--C 1.562 1.422 0 O-C-N 118.408 -2.683 . . . . 2.8599999999999999 109.702 178.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 98.5 mt -58.14 -40.57 77.81 Favored 'Isoleucine or valine' 0 C--N 1.37 1.488 0 C-N-CA 130.469 3.508 . . . . 2.8599999999999999 109.225 176.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . 0.307 . . -62.87 -45.62 91.69 Favored 'General case' 0 N--CA 1.444 -0.774 0 N-CA-C 115.117 1.525 . . . . 2.8599999999999999 115.117 170.423 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 34.7 mt -58.76 -39.55 77.17 Favored 'Isoleucine or valine' 0 CA--C 1.468 -2.195 0 N-CA-C 114.708 1.373 . . . . 2.8599999999999999 114.708 164.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 40.4 mm -75.94 -27.81 18.57 Favored 'Isoleucine or valine' 0 C--O 1.276 2.495 0 O-C-N 119.471 -2.018 . . . . 2.8599999999999999 111.377 179.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -61.82 -52.25 64.95 Favored 'General case' 0 CA--C 1.495 -1.144 0 C-N-CA 128.453 2.701 . . . . 2.8599999999999999 111.693 170.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -49.72 -48.42 49.98 Favored 'General case' 0 N--CA 1.415 -2.198 0 C-N-CA 129.57 3.148 . . . . 2.8599999999999999 110.682 170.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -67.9 -38.4 82.92 Favored 'General case' 0 N--CA 1.417 -2.115 0 CA-C-N 120.756 1.616 . . . . 2.8599999999999999 114.024 171.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -62.76 -40.57 97.66 Favored 'General case' 1 C--O 1.315 4.509 0 N-CA-C 116.934 2.198 . . . . 2.8599999999999999 116.934 177.33 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.4 ttpt -63.93 -45.26 90.03 Favored 'General case' 0 C--O 1.197 -1.691 0 CA-C-N 114.522 -1.217 . . . . 2.8599999999999999 112.158 170.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.3 ttpt -61.18 -34.86 75.73 Favored 'General case' 0 N--CA 1.51 2.556 0 C-N-CA 126.191 1.796 . . . . 2.8599999999999999 110.892 -178.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.5 tttp -66.75 -55.12 16.44 Favored 'General case' 0 CA--C 1.568 1.638 0 C-N-CA 127.592 2.357 . . . . 2.8599999999999999 115.803 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.348 0.536 0 O-C-N 121.048 -1.033 . . . . 2.23 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 23.8 pttm . . . . . 0 N--CA 1.514 2.756 0 CA-C-O 125.707 2.67 . . . . 2.8599999999999999 112.882 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -126.18 158.81 34.64 Favored 'General case' 0 CA--C 1.562 1.421 0 O-C-N 118.688 -2.507 . . . . 2.8599999999999999 106.078 172.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 51.3 tttm -156.41 139.25 15.24 Favored 'General case' 0 CA--C 1.476 -1.886 0 O-C-N 127.203 2.814 . . . . 2.8599999999999999 104.0 176.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.67 30.32 18.74 Favored Glycine 0 C--O 1.187 -2.816 0 O-C-N 127.236 2.835 . . . . 2.3799999999999999 119.18 -176.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . 0.312 6.3 pt -84.34 -7.59 10.94 Favored 'Isoleucine or valine' 0 CA--C 1.453 -2.751 0 CA-C-N 111.333 -2.433 . . . . 2.8599999999999999 111.663 176.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 18.6 p -65.57 -30.37 71.1 Favored 'General case' 1 N--CA 1.372 -4.372 0 CA-C-O 124.772 2.225 . . . . 2.8599999999999999 113.258 173.199 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -74.08 -44.64 53.37 Favored 'General case' 0 N--CA 1.443 -0.777 1 O-C-N 115.915 -4.241 . . . . 2.8599999999999999 112.483 166.151 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -59.71 -46.28 89.57 Favored 'General case' 0 C--O 1.176 -2.801 0 O-C-N 117.903 -2.998 . . . . 2.8599999999999999 112.714 -176.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 55.6 m -75.98 -36.71 59.12 Favored 'General case' 0 C--O 1.256 1.433 0 O-C-N 116.939 -3.601 . . . . 2.8599999999999999 110.62 -178.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 60.3 m -47.52 -55.09 9.85 Favored 'General case' 0 N--CA 1.407 -2.613 0 C-N-CA 125.362 1.465 . . . . 2.8599999999999999 112.478 169.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 21.2 m-30 -53.95 -48.84 69.87 Favored 'General case' 0 C--O 1.275 2.444 0 C-N-CA 124.454 1.102 . . . . 2.8599999999999999 111.733 -178.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 19.1 mt -65.38 -46.33 90.57 Favored 'Isoleucine or valine' 0 C--O 1.251 1.173 0 C-N-CA 126.016 1.727 . . . . 2.8599999999999999 109.58 -175.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 26.7 mt -68.47 -47.78 75.7 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.627 0 CA-C-O 123.581 1.658 . . . . 2.8599999999999999 109.718 -177.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 11.7 pt -67.57 -20.41 26.32 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.847 1 O-C-N 115.67 -4.394 . . . . 2.8599999999999999 114.199 -178.643 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.1 m -65.95 -54.88 20.59 Favored 'General case' 0 C--O 1.185 -2.34 0 C-N-CA 127.009 2.123 . . . . 2.8599999999999999 113.259 164.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -49.92 -39.02 38.76 Favored 'General case' 0 N--CA 1.515 2.818 0 CA-C-O 126.548 3.071 . . . . 2.8599999999999999 116.565 169.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.2 tp -63.8 -43.69 95.55 Favored 'General case' 0 N--CA 1.433 -1.314 0 O-C-N 118.682 -2.511 . . . . 2.8599999999999999 112.001 176.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.458 HD13 ' HA ' ' A' ' 18' ' ' ILE . 32.2 mm -62.51 -36.12 73.38 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.276 0 O-C-N 118.376 -2.703 . . . . 2.8599999999999999 113.374 170.43 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 97.6 t -61.13 -41.46 89.48 Favored 'Isoleucine or valine' 0 C--N 1.367 1.366 0 CA-C-N 121.718 2.053 . . . . 2.8599999999999999 110.96 178.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 47.2 t -69.15 -51.8 39.91 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.27 0 O-C-N 120.859 -1.151 . . . . 2.8599999999999999 112.002 176.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -60.32 -41.01 92.6 Favored 'General case' 0 C--N 1.293 -1.86 0 N-CA-C 115.174 1.546 . . . . 2.8599999999999999 115.174 -175.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 19.2 mtt -59.9 -48.04 83.3 Favored 'General case' 0 C--N 1.365 1.274 0 O-C-N 121.332 -0.855 . . . . 2.8599999999999999 112.699 166.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -67.52 -25.68 65.96 Favored 'General case' 0 CA--C 1.58 2.114 0 N-CA-C 120.945 3.683 . . . . 2.8599999999999999 120.945 -173.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.432 ' HA ' HG12 ' A' ' 27' ' ' ILE . 1.8 pp -72.92 -24.58 21.22 Favored 'Isoleucine or valine' 0 C--O 1.26 1.62 0 CA-C-O 116.298 -1.81 . . . . 2.8599999999999999 113.498 171.172 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.6 -40.55 76.57 Favored 'General case' 0 C--N 1.4 2.794 0 CA-C-N 120.655 1.57 . . . . 2.8599999999999999 109.648 166.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 75.9 mt -66.39 -48.49 80.67 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.986 0 CA-C-O 124.228 1.966 . . . . 2.8599999999999999 108.775 -174.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.432 HG12 ' HA ' ' A' ' 24' ' ' ILE . 8.1 pt -74.16 -20.12 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 114.506 -2.664 . . . . 2.8599999999999999 116.72 178.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.11 -36.6 84.8 Favored 'General case' 0 CA--C 1.451 -2.845 0 CA-C-N 121.31 1.868 . . . . 2.8599999999999999 111.412 175.269 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -59.83 -48.03 83.33 Favored 'General case' 0 N--CA 1.422 -1.863 0 O-C-N 118.395 -2.691 . . . . 2.8599999999999999 113.348 169.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 26.1 m-20 -55.44 -54.41 44.19 Favored 'General case' 0 C--N 1.372 1.558 0 C-N-CA 128.045 2.538 . . . . 2.8599999999999999 109.137 175.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.1 m-30 -67.07 -30.15 70.13 Favored 'General case' 0 CA--C 1.561 1.379 0 CA-C-N 112.757 -2.019 . . . . 2.8599999999999999 111.636 -170.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt -77.04 -46.98 21.87 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 124.096 1.903 . . . . 2.8599999999999999 113.612 172.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.3 mtmt -110.25 94.47 5.03 Favored 'General case' 0 CA--C 1.476 -1.879 0 CA-C-O 127.112 3.339 . . . . 2.8599999999999999 105.027 -167.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -56.21 136.38 52.93 Favored 'General case' 0 CA--C 1.584 2.264 0 C-N-CA 129.808 3.243 . . . . 2.8599999999999999 113.271 174.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.399 2.761 0 O-C-N 119.935 -1.728 . . . . 2.23 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 17.0 ptmt . . . . . 0 CA--C 1.578 2.051 0 CA-C-O 119.091 -0.48 . . . . 2.8599999999999999 111.716 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 36.8 mtpt -102.36 -4.47 25.5 Favored 'General case' 0 C--N 1.409 3.174 0 N-CA-C 113.095 0.776 . . . . 2.8599999999999999 113.095 -173.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -101.72 140.42 36.03 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-O 116.715 -1.612 . . . . 2.8599999999999999 113.683 -177.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.54 1.07 89.99 Favored Glycine 0 C--O 1.191 -2.572 0 CA-C-O 124.421 2.123 . . . . 2.3799999999999999 110.066 178.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 20.5 pt -100.1 -4.89 9.27 Favored 'Isoleucine or valine' 0 N--CA 1.527 3.413 0 O-C-N 119.684 -2.068 . . . . 2.8599999999999999 108.753 -178.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . 0.262 1.9 p -63.68 -33.14 74.97 Favored 'General case' 0 CA--C 1.474 -1.954 0 C-N-CA 129.371 3.068 . . . . 2.8599999999999999 114.244 178.234 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -63.16 -40.1 96.57 Favored 'General case' 0 N--CA 1.431 -1.399 0 CA-C-N 123.764 2.984 . . . . 2.8599999999999999 115.468 163.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -72.63 -35.58 67.84 Favored 'General case' 0 C--O 1.267 1.994 0 O-C-N 116.993 -3.567 . . . . 2.8599999999999999 112.04 178.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 56.4 m -60.22 -50.1 74.98 Favored 'General case' 0 C--O 1.188 -2.177 0 CA-C-O 124.917 2.294 . . . . 2.8599999999999999 112.748 170.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.8 m -63.07 -32.55 73.95 Favored 'General case' 0 C--N 1.39 2.368 0 CA-C-O 116.51 -1.71 . . . . 2.8599999999999999 109.841 178.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -63.89 -42.45 97.47 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 115.818 1.784 . . . . 2.8599999999999999 115.818 172.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 39.1 mt -72.37 -40.5 64.5 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 N-CA-C 105.387 -2.079 . . . . 2.8599999999999999 105.387 -175.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 73.7 mt -51.73 -57.42 3.47 Favored 'Isoleucine or valine' 0 CA--C 1.482 -1.647 0 C-N-CA 125.427 1.491 . . . . 2.8599999999999999 113.537 169.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 13.3 mm -60.5 -35.96 66.65 Favored 'Isoleucine or valine' 0 C--N 1.396 2.601 0 CA-C-O 115.184 -2.341 . . . . 2.8599999999999999 112.492 178.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 50.7 m -61.27 -43.4 98.94 Favored 'General case' 0 CA--C 1.454 -2.731 0 CA-C-N 120.393 1.452 . . . . 2.8599999999999999 111.269 -176.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . 0.266 18.9 m-30 -80.34 -39.69 28.11 Favored 'General case' 0 N--CA 1.421 -1.898 0 CA-C-O 117.155 -1.403 . . . . 2.8599999999999999 110.899 174.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.9 tp -54.38 -40.53 68.26 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 118.573 2.805 . . . . 2.8599999999999999 118.573 173.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 10.9 pt -60.08 -40.65 83.91 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.707 0 C-N-CA 125.147 1.379 . . . . 2.8599999999999999 111.026 171.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . 0.305 47.9 t -64.58 -54.5 29.59 Favored 'Isoleucine or valine' 0 N--CA 1.408 -2.531 0 C-N-CA 131.687 3.995 . . . . 2.8599999999999999 113.086 174.663 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . 0.282 91.4 t -49.08 -56.26 2.77 Favored 'Isoleucine or valine' 0 CA--C 1.464 -2.354 0 N-CA-C 116.095 1.887 . . . . 2.8599999999999999 116.095 169.02 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -63.14 -32.72 74.18 Favored 'General case' 0 N--CA 1.511 2.612 0 CA-C-O 118.065 -0.969 . . . . 2.8599999999999999 113.008 177.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 15.3 ttt -66.56 -45.16 80.26 Favored 'General case' 0 C--N 1.373 1.616 0 O-C-N 119.26 -2.15 . . . . 2.8599999999999999 111.22 171.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -70.11 -39.87 75.25 Favored 'General case' 0 C--O 1.208 -1.127 0 O-C-N 119.885 -1.759 . . . . 2.8599999999999999 115.223 -177.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.0 pt -61.7 -33.69 58.69 Favored 'Isoleucine or valine' 0 C--O 1.273 2.331 0 CA-C-O 124.694 2.187 . . . . 2.8599999999999999 112.594 173.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.65 -41.04 76.09 Favored 'General case' 0 C--O 1.253 1.249 0 O-C-N 116.68 -3.763 . . . . 2.8599999999999999 113.599 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 46.7 mt -60.71 -48.23 89.63 Favored 'Isoleucine or valine' 0 N--CA 1.521 3.077 0 N-CA-C 116.154 1.909 . . . . 2.8599999999999999 116.154 174.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . 0.349 8.7 tp -69.28 -44.0 80.82 Favored 'Isoleucine or valine' 0 C--N 1.399 2.729 0 N-CA-C 115.312 1.597 . . . . 2.8599999999999999 115.312 173.328 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.2 tp -61.37 -46.38 90.42 Favored 'General case' 0 CA--C 1.449 -2.937 0 CA-C-N 121.054 1.752 . . . . 2.8599999999999999 112.691 177.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -59.0 -45.45 90.63 Favored 'General case' 0 C--O 1.267 1.997 0 N-CA-C 117.874 2.546 . . . . 2.8599999999999999 117.874 169.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -60.28 -40.23 89.68 Favored 'General case' 0 N--CA 1.411 -2.419 1 O-C-N 114.975 -4.828 . . . . 2.8599999999999999 116.298 173.258 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -67.13 -43.47 82.31 Favored 'General case' 0 C--N 1.41 3.218 0 C-N-CA 127.147 2.179 . . . . 2.8599999999999999 109.507 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.8 ttpp -59.26 -38.72 80.78 Favored 'General case' 0 N--CA 1.422 -1.861 0 N-CA-C 119.057 2.984 . . . . 2.8599999999999999 119.057 168.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.0 tttp -78.43 -48.85 14.59 Favored 'General case' 0 C--N 1.383 2.046 0 C-N-CA 127.341 2.257 . . . . 2.8599999999999999 108.579 -175.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 40.6 tptt -99.11 -57.81 2.08 Favored 'General case' 0 CA--C 1.595 2.678 0 CA-C-N 121.334 1.879 . . . . 2.8599999999999999 111.426 -173.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 119.438 -2.038 . . . . 2.23 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt . . . . . 0 N--CA 1.509 2.507 0 N-CA-C 116.67 2.1 . . . . 2.8599999999999999 116.67 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -111.34 19.38 18.32 Favored 'General case' 0 C--O 1.253 1.283 0 O-C-N 120.674 -1.266 . . . . 2.8599999999999999 108.662 -170.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 48.0 mttm -114.77 108.46 16.8 Favored 'General case' 0 C--O 1.208 -1.085 0 CA-C-O 122.16 0.981 . . . . 2.8599999999999999 109.68 -162.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.87 6.91 87.96 Favored Glycine 0 N--CA 1.48 1.567 0 C-N-CA 129.034 3.207 . . . . 2.3799999999999999 115.418 -177.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 27.7 pt -86.07 -7.98 11.02 Favored 'Isoleucine or valine' 0 C--O 1.267 1.989 0 N-CA-C 115.666 1.728 . . . . 2.8599999999999999 115.666 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.6 p -55.08 -48.04 74.08 Favored 'General case' 0 C--N 1.305 -1.346 0 C-N-CA 127.992 2.517 . . . . 2.8599999999999999 112.312 174.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -60.51 -53.97 51.1 Favored 'General case' 0 C--O 1.269 2.112 0 O-C-N 125.235 1.584 . . . . 2.8599999999999999 110.765 174.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -58.56 -42.35 87.71 Favored 'General case' 0 C--O 1.264 1.838 0 O-C-N 118.67 -2.519 . . . . 2.8599999999999999 117.139 177.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.6 m -67.66 -35.93 79.78 Favored 'General case' 0 C--O 1.274 2.376 0 O-C-N 119.133 -2.229 . . . . 2.8599999999999999 112.546 176.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.404 ' HA ' HD12 ' A' ' 13' ' ' ILE . 39.5 m -67.97 -28.13 67.18 Favored 'General case' 0 CA--C 1.564 1.497 0 CA-C-N 114.332 -1.303 . . . . 2.8599999999999999 108.257 171.43 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . 0.28 31.3 t80 -64.11 -43.11 96.32 Favored 'General case' 0 C--O 1.277 2.526 0 O-C-N 117.053 -3.529 . . . . 2.8599999999999999 112.454 177.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 16.6 mt -53.19 -50.09 48.13 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.986 0 C-N-CA 129.677 3.191 . . . . 2.8599999999999999 111.252 167.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.404 HD12 ' HA ' ' A' ' 10' ' ' SER . 82.2 mt -65.34 -43.62 94.9 Favored 'Isoleucine or valine' 0 C--O 1.251 1.152 0 N-CA-C 115.614 1.709 . . . . 2.8599999999999999 115.614 177.358 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . 0.255 32.0 mm -62.46 -40.6 88.69 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.135 0 O-C-N 116.329 -3.982 . . . . 2.8599999999999999 113.945 172.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.429 ' HA ' HG12 ' A' ' 18' ' ' ILE . 59.5 m -57.91 -43.81 86.4 Favored 'General case' 0 C--O 1.257 1.461 0 N-CA-C 117.735 2.495 . . . . 2.8599999999999999 117.735 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -61.88 -43.17 99.38 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 126.293 2.949 . . . . 2.8599999999999999 112.248 167.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.7 tp -63.71 -39.54 94.56 Favored 'General case' 0 N--CA 1.535 3.812 0 O-C-N 119.662 -1.899 . . . . 2.8599999999999999 114.066 -179.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.429 HG12 ' HA ' ' A' ' 15' ' ' SER 0.293 10.4 pt -64.73 -33.46 63.49 Favored 'Isoleucine or valine' 0 C--N 1.389 2.287 0 N-CA-C 119.08 2.992 . . . . 2.8599999999999999 119.08 172.191 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 38.9 t -62.58 -42.91 97.7 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.803 0 C-N-CA 126.917 2.087 . . . . 2.8599999999999999 108.592 167.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.6 t -74.87 -42.75 46.64 Favored 'Isoleucine or valine' 0 C--N 1.417 3.514 0 O-C-N 116.886 -3.634 . . . . 2.8599999999999999 108.472 -173.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -51.26 -38.56 53.37 Favored 'General case' 0 C--O 1.271 2.195 0 N-CA-C 116.241 1.941 . . . . 2.8599999999999999 116.241 167.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 57.7 ttp -69.31 -41.86 76.17 Favored 'General case' 0 C--O 1.202 -1.447 0 CA-C-O 127.274 3.416 . . . . 2.8599999999999999 114.653 173.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 16.0 m-30 -66.88 -36.99 83.56 Favored 'General case' 0 CA--C 1.579 2.076 0 O-C-N 118.189 -2.819 . . . . 2.8599999999999999 116.271 174.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 32.7 pt -73.78 -28.79 24.94 Favored 'Isoleucine or valine' 0 C--N 1.37 1.487 0 O-C-N 119.947 -1.721 . . . . 2.8599999999999999 109.356 -178.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.69 -33.98 73.29 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 115.149 -0.932 . . . . 2.8599999999999999 112.865 172.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 75.5 mt -75.4 -36.21 35.14 Favored 'Isoleucine or valine' 0 C--N 1.382 1.995 0 O-C-N 121.941 -0.474 . . . . 2.8599999999999999 110.496 -179.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.7 tp -76.78 -22.17 14.89 Favored 'Isoleucine or valine' 0 C--N 1.37 1.479 0 O-C-N 119.452 -2.03 . . . . 2.8599999999999999 108.912 177.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.3 tp -69.56 -48.24 60.98 Favored 'General case' 0 CA--C 1.579 2.072 0 O-C-N 118.111 -2.868 . . . . 2.8599999999999999 110.463 178.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -64.66 -38.68 91.83 Favored 'General case' 0 C--N 1.369 1.444 0 C-N-CA 130.693 3.597 . . . . 2.8599999999999999 117.623 173.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . 0.252 10.6 m-80 -70.46 -45.97 64.74 Favored 'General case' 0 N--CA 1.385 -3.69 0 C-N-CA 125.812 1.645 . . . . 2.8599999999999999 111.169 172.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -65.44 -34.91 79.39 Favored 'General case' 0 CA--C 1.57 1.726 0 CA-C-O 123.632 1.682 . . . . 2.8599999999999999 108.67 -178.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.9 ttpp -58.89 -43.93 91.05 Favored 'General case' 0 C--O 1.18 -2.605 0 O-C-N 117.611 -3.181 . . . . 2.8599999999999999 116.441 172.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -89.4 -47.39 8.05 Favored 'General case' 0 C--O 1.265 1.91 0 N-CA-C 115.148 1.536 . . . . 2.8599999999999999 115.148 -179.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . 0.294 19.8 ttmt -66.48 -66.02 0.61 Allowed 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 128.518 2.727 . . . . 2.8599999999999999 117.829 -176.411 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.37 1.484 0 O-C-N 123.81 0.694 . . . . 2.23 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt . . . . . 0 N--CA 1.515 2.778 0 N-CA-C 115.817 1.784 . . . . 2.8599999999999999 115.817 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 35.8 mtpt -91.97 2.99 56.2 Favored 'General case' 0 N--CA 1.517 2.893 0 N-CA-C 116.794 2.146 . . . . 2.8599999999999999 116.794 -177.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -112.87 133.74 54.71 Favored 'General case' 0 C--O 1.206 -1.19 0 O-C-N 119.639 -1.913 . . . . 2.8599999999999999 109.125 -176.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.07 9.01 74.45 Favored Glycine 0 C--N 1.391 3.588 0 C-N-CA 126.061 1.791 . . . . 2.3799999999999999 109.489 177.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 33.8 pt -94.83 -16.42 7.42 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.149 0 CA-C-N 123.447 3.624 . . . . 2.8599999999999999 113.974 173.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 26.6 p -38.62 -45.78 1.13 Allowed 'General case' 0 CA--C 1.571 1.783 0 N-CA-C 121.504 3.89 . . . . 2.8599999999999999 121.504 171.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -58.04 -43.6 86.92 Favored 'General case' 0 C--O 1.208 -1.089 1 C-N-CA 134.052 4.941 . . . . 2.8599999999999999 110.004 173.178 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -90.28 -26.15 20.17 Favored 'General case' 0 C--N 1.293 -1.858 0 O-C-N 119.158 -2.214 . . . . 2.8599999999999999 105.585 -169.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 69.4 m -64.6 -39.59 94.0 Favored 'General case' 0 C--O 1.203 -1.388 0 N-CA-C 115.894 1.812 . . . . 2.8599999999999999 115.894 166.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.281 74.4 m -75.37 -28.86 59.69 Favored 'General case' 0 C--O 1.206 -1.222 0 O-C-N 119.081 -2.262 . . . . 2.8599999999999999 108.571 171.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -66.05 -44.23 85.19 Favored 'General case' 0 C--O 1.261 1.677 0 O-C-N 118.103 -2.873 . . . . 2.8599999999999999 109.111 173.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.2 mt -65.42 -44.77 94.34 Favored 'Isoleucine or valine' 0 C--N 1.371 1.503 0 CA-C-O 126.169 2.89 . . . . 2.8599999999999999 108.55 -173.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 91.4 mt -67.01 -49.58 72.29 Favored 'Isoleucine or valine' 0 C--N 1.374 1.647 0 O-C-N 117.381 -3.325 . . . . 2.8599999999999999 110.645 -176.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.512 HD13 HD23 ' A' ' 17' ' ' LEU . 22.4 mm -69.78 -27.23 32.53 Favored 'Isoleucine or valine' 0 C--O 1.193 -1.899 1 O-C-N 115.902 -4.249 . . . . 2.8599999999999999 112.812 179.632 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 58.4 m -56.7 -46.68 81.07 Favored 'General case' 0 CA--C 1.574 1.881 0 N-CA-C 116.268 1.951 . . . . 2.8599999999999999 116.268 171.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.466 ' O ' HG23 ' A' ' 20' ' ' VAL . 85.8 m-85 -67.88 -41.96 81.98 Favored 'General case' 0 CA--C 1.56 1.357 0 CA-C-O 115.972 -1.966 . . . . 2.8599999999999999 110.744 169.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.512 HD23 HD13 ' A' ' 14' ' ' ILE . 33.9 tp -59.51 -47.49 85.33 Favored 'General case' 0 C--N 1.405 3.0 0 N-CA-C 117.02 2.23 . . . . 2.8599999999999999 117.02 -178.18 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 27.0 pt -63.28 -34.14 65.3 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.55 0 C-N-CA 116.216 -2.194 . . . . 2.8599999999999999 116.768 174.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 64.7 t -71.25 -42.2 74.75 Favored 'Isoleucine or valine' 0 N--CA 1.405 -2.712 0 C-N-CA 128.697 2.799 . . . . 2.8599999999999999 117.378 168.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 16' ' ' PHE . 83.9 t -69.84 -41.87 79.82 Favored 'Isoleucine or valine' 0 CA--C 1.463 -2.369 0 C-N-CA 120.192 -0.603 . . . . 2.8599999999999999 111.17 173.513 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -56.01 -40.35 73.26 Favored 'General case' 0 C--N 1.381 1.953 0 O-C-N 117.413 -3.304 . . . . 2.8599999999999999 115.077 170.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 26.9 ttt -68.8 -42.58 77.11 Favored 'General case' 0 CA--C 1.481 -1.681 0 O-C-N 118.324 -2.735 . . . . 2.8599999999999999 111.379 179.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -61.0 -51.74 67.95 Favored 'General case' 0 C--O 1.258 1.503 0 O-C-N 118.553 -2.592 . . . . 2.8599999999999999 110.093 178.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . 0.351 18.5 pt -62.35 -30.5 49.12 Favored 'Isoleucine or valine' 0 C--N 1.399 2.734 0 CA-C-O 123.294 1.521 . . . . 2.8599999999999999 111.366 -173.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.49 -45.32 60.02 Favored 'General case' 0 C--N 1.41 3.221 0 O-C-N 120.089 -1.632 . . . . 2.8599999999999999 111.069 175.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.4 mt -59.6 -36.76 67.05 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.964 1 N-CA-C 121.831 4.012 . . . . 2.8599999999999999 121.831 176.046 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . 0.456 9.9 tp -64.38 -35.16 73.46 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.901 0 C-N-CA 129.764 3.225 . . . . 2.8599999999999999 111.18 168.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.9 tp -60.33 -52.98 62.94 Favored 'General case' 0 N--CA 1.519 2.98 1 O-C-N 115.541 -4.475 . . . . 2.8599999999999999 116.687 170.211 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.2 tp10 -59.73 -52.87 63.64 Favored 'General case' 0 N--CA 1.392 -3.367 0 CA-C-N 112.094 -2.321 . . . . 2.8599999999999999 116.111 172.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -62.57 -37.53 86.55 Favored 'General case' 0 N--CA 1.424 -1.745 0 CA-C-O 113.034 -3.365 . . . . 2.8599999999999999 116.734 176.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -67.2 -41.92 85.02 Favored 'General case' 0 N--CA 1.408 -2.551 0 CA-C-N 122.276 2.307 . . . . 2.8599999999999999 111.081 174.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.7 ttpp -57.64 -38.48 75.09 Favored 'General case' 0 N--CA 1.427 -1.599 0 C-N-CA 128.071 2.548 . . . . 2.8599999999999999 113.474 173.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -67.35 -53.63 27.74 Favored 'General case' 0 C--N 1.379 1.867 0 C-N-CA 127.734 2.413 . . . . 2.8599999999999999 111.023 177.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.06 -47.82 78.67 Favored 'General case' 0 CA--C 1.608 3.201 0 O-C-N 119.435 -2.041 . . . . 2.8599999999999999 112.166 176.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.365 1.276 1 O-C-N 116.188 -4.07 . . . . 2.23 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 12.7 tptm . . . . . 0 N--CA 1.492 1.656 0 CA-C-O 123.167 1.46 . . . . 2.8599999999999999 109.372 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.9 ptmm? -49.92 144.03 7.08 Favored 'General case' 0 N--CA 1.414 -2.241 0 CA-C-O 124.73 2.205 . . . . 2.8599999999999999 111.484 176.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.3 ttpt -54.57 128.46 32.33 Favored 'General case' 0 CA--C 1.562 1.417 0 N-CA-C 115.553 1.686 . . . . 2.8599999999999999 115.553 165.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.23 -63.34 0.56 Allowed Glycine 0 C--N 1.36 1.889 0 CA-C-O 122.623 1.124 . . . . 2.3799999999999999 114.207 -174.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 8.0 tp -85.23 -23.68 7.17 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.808 0 O-C-N 120.731 -1.453 . . . . 2.8599999999999999 109.845 -172.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 28.2 p -51.38 -38.86 55.5 Favored 'General case' 0 CA--C 1.593 2.621 0 C-N-CA 126.764 2.025 . . . . 2.8599999999999999 112.329 167.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -66.55 -42.96 86.34 Favored 'General case' 0 C--N 1.384 2.108 0 C-N-CA 119.792 -0.763 . . . . 2.8599999999999999 109.71 179.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -63.83 -47.06 82.31 Favored 'General case' 0 C--N 1.283 -2.285 0 C-N-CA 127.965 2.506 . . . . 2.8599999999999999 111.203 178.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 92.3 m -52.56 -49.36 65.08 Favored 'General case' 0 CA--C 1.582 2.211 0 CA-C-O 122.06 0.933 . . . . 2.8599999999999999 112.003 170.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.5 m -57.74 -47.8 81.44 Favored 'General case' 0 C--O 1.192 -1.943 0 C-N-CA 129.468 3.107 . . . . 2.8599999999999999 109.809 -174.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -66.18 -34.41 77.96 Favored 'General case' 0 CA--C 1.564 1.502 0 C-N-CA 124.674 1.19 . . . . 2.8599999999999999 113.765 177.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.2 mt -64.9 -46.65 91.15 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.161 1 O-C-N 115.554 -4.466 . . . . 2.8599999999999999 110.464 172.301 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 97.0 mt -60.07 -45.65 95.34 Favored 'Isoleucine or valine' 0 N--CA 1.535 3.798 0 O-C-N 119.902 -1.749 . . . . 2.8599999999999999 114.905 173.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 10.3 mm -59.12 -37.87 70.81 Favored 'Isoleucine or valine' 0 C--N 1.364 1.237 0 O-C-N 117.93 -2.981 . . . . 2.8599999999999999 114.582 165.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 59.2 m -65.63 -44.9 85.04 Favored 'General case' 0 N--CA 1.505 2.303 0 O-C-N 117.525 -3.234 . . . . 2.8599999999999999 109.53 173.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -69.98 -18.71 63.35 Favored 'General case' 0 C--O 1.215 -0.731 0 CA-C-N 122.45 2.386 . . . . 2.8599999999999999 114.267 176.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.6 tp -72.17 -32.97 67.33 Favored 'General case' 0 C--N 1.41 3.221 0 CA-C-O 124.142 1.925 . . . . 2.8599999999999999 108.153 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 53.5 mt -78.38 -37.97 22.36 Favored 'Isoleucine or valine' 0 CA--C 1.453 -2.767 0 O-C-N 117.532 -3.23 . . . . 2.8599999999999999 112.7 176.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 75.2 t -61.19 -48.58 88.34 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.348 0 O-C-N 117.924 -2.985 . . . . 2.8599999999999999 114.769 169.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 31.1 t -59.38 -50.14 80.97 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.63 0 N-CA-C 117.677 2.473 . . . . 2.8599999999999999 117.677 167.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . 0.268 58.5 m-80 -67.32 -31.65 72.09 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 117.454 -3.279 . . . . 2.8599999999999999 113.775 173.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 87.4 mtp -59.45 -47.61 84.81 Favored 'General case' 0 C--O 1.183 -2.439 0 N-CA-C 116.083 1.883 . . . . 2.8599999999999999 116.083 166.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -56.14 -52.59 63.81 Favored 'General case' 0 C--N 1.412 3.312 0 O-C-N 125.497 1.748 . . . . 2.8599999999999999 108.773 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . 0.295 35.1 pt -63.67 -27.85 43.78 Favored 'Isoleucine or valine' 1 CA--C 1.649 4.761 0 C-N-CA 115.177 -2.609 . . . . 2.8599999999999999 111.392 -176.718 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.02 -45.73 66.57 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 119.649 -1.907 . . . . 2.8599999999999999 115.903 174.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . 0.442 4.5 pt -62.46 -38.39 81.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 N-CA-C 121.392 3.849 . . . . 2.8599999999999999 121.392 176.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.419 HD12 ' HA ' ' A' ' 27' ' ' ILE . 5.7 tp -69.6 -22.21 25.09 Favored 'Isoleucine or valine' 0 CA--C 1.467 -2.212 0 O-C-N 118.24 -2.788 . . . . 2.8599999999999999 112.324 168.54 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.2 tp -71.53 -42.3 68.11 Favored 'General case' 0 C--N 1.375 1.685 0 O-C-N 118.72 -2.488 . . . . 2.8599999999999999 110.349 172.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.33 -48.43 71.39 Favored 'General case' 0 C--N 1.37 1.492 0 O-C-N 126.014 2.071 . . . . 2.8599999999999999 115.515 170.694 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -62.95 -37.15 85.92 Favored 'General case' 0 C--O 1.195 -1.8 0 CA-C-N 119.955 1.252 . . . . 2.8599999999999999 114.229 170.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -65.04 -38.33 90.52 Favored 'General case' 0 C--N 1.386 2.182 0 N-CA-C 116.422 2.008 . . . . 2.8599999999999999 116.422 177.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -86.41 -15.52 40.06 Favored 'General case' 0 N--CA 1.499 1.979 0 C-N-CA 118.68 -1.208 . . . . 2.8599999999999999 112.252 178.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -65.03 -50.94 64.28 Favored 'General case' 0 N--CA 1.414 -2.246 0 O-C-N 119.877 -1.765 . . . . 2.8599999999999999 114.076 169.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -61.41 -56.95 14.54 Favored 'General case' 0 CA--C 1.589 2.476 0 C-N-CA 129.627 3.171 . . . . 2.8599999999999999 110.813 174.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 0.593 1 O-C-N 115.782 -4.324 . . . . 2.23 . . . . . . . . . . 1 1 . 1 stop_ save_