data_2k5x_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 2k5x _Structure_validation_residue.Date_analyzed 2016-10-07 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' ' ' MET . . . . . . . . . . . . . 35.1 mmt . . . . . 0 C--O 1.24 0.553 0 CA-C-O 116.061 -1.923 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -82.5 55.32 2.9 Favored 'General case' 0 C--N 1.272 -2.786 0 CA-C-O 127.158 3.361 . . . . 0.0 119.767 -178.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 90.0 mt -104.77 151.77 23.36 Favored 'General case' 0 C--O 1.263 1.784 0 CA-C-N 112.288 -2.233 . . . . 0.0 109.335 -175.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 18.7 mmtt -91.29 152.27 20.55 Favored 'General case' 0 C--N 1.363 1.192 0 CA-C-N 109.83 -3.35 . . . . 0.0 107.225 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 -78.68 -25.08 44.78 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 111.396 -2.638 . . . . 0.0 117.391 -170.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.7 m -177.61 178.76 0.98 Allowed 'General case' 0 C--N 1.294 -1.843 0 O-C-N 127.093 2.745 . . . . 0.0 107.538 179.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.6 tt -54.92 -40.98 55.56 Favored 'Isoleucine or valine' 0 C--N 1.356 0.881 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 168.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.8 m -60.56 14.11 0.01 OUTLIER 'General case' 0 N--CA 1.538 3.937 0 C-N-CA 128.321 2.648 . . . . 0.0 112.509 179.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -126.66 17.41 7.47 Favored 'General case' 0 CA--C 1.562 1.427 1 O-C-N 116.145 -4.097 . . . . 0.0 117.53 157.151 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -101.26 142.41 32.73 Favored 'General case' 0 C--O 1.269 2.094 0 N-CA-C 100.709 -3.812 . . . . 0.0 100.709 166.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.6 p -86.76 159.65 19.07 Favored 'General case' 0 CA--C 1.555 1.166 0 N-CA-C 102.944 -2.984 . . . . 0.0 102.944 153.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -57.58 -34.13 68.9 Favored 'General case' 0 CA--C 1.46 -2.496 0 O-C-N 118.335 -2.728 . . . . 0.0 117.436 -170.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.83 -33.83 72.84 Favored 'General case' 0 C--O 1.209 -1.078 0 O-C-N 125.551 1.782 . . . . 0.0 111.759 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -64.79 -48.51 74.22 Favored 'General case' 0 C--N 1.37 1.469 0 O-C-N 120.234 -1.541 . . . . 0.0 112.46 168.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -58.78 -37.33 76.05 Favored 'General case' 0 C--N 1.381 1.973 0 C-N-CA 125.859 1.664 . . . . 0.0 112.719 176.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 tt -58.99 -42.84 90.99 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-O 125.095 2.379 . . . . 0.0 113.046 172.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -65.02 -47.77 76.26 Favored 'General case' 0 C--N 1.369 1.429 0 CA-C-N 111.774 -2.466 . . . . 0.0 107.443 178.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.1 tp -59.6 -41.55 90.56 Favored 'General case' 0 C--O 1.255 1.345 0 O-C-N 124.016 0.822 . . . . 0.0 110.231 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 47.6 t -70.42 -43.53 78.07 Favored 'Isoleucine or valine' 0 N--CA 1.525 3.278 0 CA-C-O 114.546 -2.645 . . . . 0.0 111.391 178.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 27.0 m -51.94 -48.56 64.22 Favored 'General case' 0 C--N 1.284 -2.248 0 CA-C-N 122.777 2.535 . . . . 0.0 109.967 175.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.3 m -52.09 -47.15 65.36 Favored 'General case' 0 C--O 1.263 1.805 0 C-N-CA 126.162 1.785 . . . . 0.0 113.284 175.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 43.0 mt -64.59 -50.11 77.32 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.646 1 O-C-N 129.638 4.336 . . . . 0.0 107.587 176.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 4.9 m -79.7 -7.27 58.49 Favored 'General case' 0 N--CA 1.436 -1.155 0 CA-C-N 122.05 2.204 . . . . 0.0 114.116 -165.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . 0.294 19.5 m-80 -111.03 0.58 17.0 Favored 'General case' 0 N--CA 1.481 1.096 0 O-C-N 126.491 2.369 . . . . 0.0 106.701 173.002 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 47.97 58.87 4.64 Favored 'General case' 0 C--N 1.392 2.437 0 CA-C-O 125.71 2.671 . . . . 0.0 113.298 -168.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . 0.311 27.8 t70 -83.63 54.62 2.92 Favored 'General case' 0 N--CA 1.415 -2.194 0 CA-C-N 110.197 -3.183 . . . . 0.0 116.5 -178.132 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.1 p -154.61 -172.63 4.27 Favored 'General case' 0 N--CA 1.41 -2.46 0 CA-C-O 116.403 -1.761 . . . . 0.0 107.59 -172.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.9 t -107.07 -27.98 10.28 Favored 'General case' 0 C--N 1.393 2.494 0 CA-C-N 124.783 3.447 . . . . 0.0 118.978 -176.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.7 m -129.7 147.03 51.44 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 119.95 -1.719 . . . . 0.0 111.764 173.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -40.78 -43.12 1.93 Allowed 'General case' 0 C--N 1.273 -2.758 2 O-C-N 130.885 5.116 . . . . 0.0 119.566 159.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -74.15 -10.39 59.56 Favored 'General case' 0 C--O 1.185 -2.315 0 CA-C-O 128.218 3.866 . . . . 0.0 111.399 -175.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -74.04 -61.38 1.87 Allowed 'General case' 0 C--O 1.264 1.82 1 O-C-N 112.835 -6.165 . . . . 0.0 108.444 162.332 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 40.9 tp -60.31 -30.56 69.57 Favored 'General case' 0 C--O 1.18 -2.559 0 CA-C-O 125.237 2.446 . . . . 0.0 114.04 -167.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.5 p -63.93 -32.77 58.43 Favored 'Isoleucine or valine' 1 N--CA 1.551 4.612 0 O-C-N 120.401 -1.437 . . . . 0.0 114.07 169.333 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 70.4 mttt -84.19 -32.76 24.39 Favored 'General case' 0 C--O 1.287 3.03 0 O-C-N 126.126 2.141 . . . . 0.0 110.193 175.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -62.6 -40.28 96.44 Favored 'General case' 1 C--O 1.152 -4.04 0 CA-C-N 125.869 3.94 . . . . 0.0 119.379 171.112 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . 0.294 2.8 p -72.07 -35.89 55.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 CA-C-N 112.102 -2.317 . . . . 0.0 108.783 174.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 53.1 m -65.81 -35.93 82.07 Favored 'General case' 0 CA--C 1.462 -2.433 0 CA-C-N 124.639 3.381 . . . . 0.0 108.821 175.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -65.02 -52.29 56.82 Favored 'General case' 0 C--N 1.379 1.873 0 CA-C-O 116.864 -1.541 . . . . 0.0 109.04 176.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -40.96 -50.96 3.29 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 124.908 1.38 . . . . 0.0 112.021 173.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.74 -46.41 65.96 Favored 'General case' 0 CA--C 1.465 -2.314 0 O-C-N 118.672 -2.518 . . . . 0.0 116.525 -176.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -76.0 -15.19 60.19 Favored 'General case' 0 CA--C 1.573 1.833 0 CA-C-O 117.796 -1.097 . . . . 0.0 112.556 -172.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.8 -35.74 20.5 Favored 'General case' 0 N--CA 1.4 -2.973 0 N-CA-C 115.729 1.752 . . . . 0.0 115.729 174.316 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . 0.348 5.3 t -95.58 -7.36 38.02 Favored 'General case' 0 CA--C 1.564 1.511 0 N-CA-C 118.558 2.799 . . . . 0.0 118.558 -178.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 81.05 -29.64 0.12 Allowed 'General case' 0 C--O 1.193 -1.869 0 C-N-CA 126.195 1.798 . . . . 0.0 115.171 170.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -43.23 116.78 2.17 Favored Pre-proline 0 CA--C 1.507 -0.702 0 N-CA-C 120.821 3.637 . . . . 0.0 120.821 175.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -58.42 -42.78 51.96 Favored 'Trans proline' 0 N--CA 1.509 2.413 0 N-CA-C 121.996 3.806 . . . . 0.0 121.996 -165.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.5 p -70.64 -34.64 72.29 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 121.653 3.945 . . . . 0.0 121.653 169.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 44.97 -99.85 0.02 OUTLIER Glycine 0 N--CA 1.516 3.999 0 O-C-N 127.894 3.246 . . . . 0.0 115.362 167.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.78 -48.8 63.64 Favored 'General case' 0 C--N 1.384 2.067 0 O-C-N 127.135 2.315 . . . . 0.0 115.671 -179.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -66.27 -14.14 61.53 Favored 'General case' 0 N--CA 1.407 -2.587 0 CA-C-N 119.768 1.167 . . . . 0.0 111.196 -172.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 20.2 tp -70.71 -42.28 70.82 Favored 'General case' 0 C--N 1.399 2.738 1 O-C-N 114.904 -4.873 . . . . 0.0 107.36 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 86.3 mt -71.56 -50.62 38.47 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.158 0 O-C-N 127.62 3.075 . . . . 0.0 108.361 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -85.69 -23.18 27.52 Favored 'General case' 0 C--O 1.265 1.891 0 N-CA-C 121.633 3.938 . . . . 0.0 121.633 -170.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . 0.369 90.0 m-85 -139.06 91.67 11.28 Favored Pre-proline 0 N--CA 1.51 2.537 0 CA-C-N 122.551 2.432 . . . . 0.0 107.749 173.172 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -54.42 137.38 72.07 Favored 'Trans proline' 0 C--O 1.279 2.572 2 C-N-CA 130.907 7.738 . . . . 0.0 112.7 179.439 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -88.11 138.56 31.34 Favored 'General case' 0 C--O 1.255 1.38 1 CA-C-N 105.788 -5.187 . . . . 0.0 106.434 173.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -75.79 118.33 18.48 Favored 'General case' 0 CA--C 1.501 -0.905 0 CA-C-N 110.168 -3.196 . . . . 0.0 108.064 -171.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 121.19 -26.55 6.68 Favored Glycine 0 C--N 1.38 3.009 0 C-N-CA 116.824 -2.608 . . . . 0.0 110.756 -170.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -90.77 148.06 22.8 Favored 'General case' 0 C--O 1.272 2.249 0 O-C-N 124.688 0.876 . . . . 0.0 111.977 172.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -88.84 108.41 19.51 Favored 'General case' 0 N--CA 1.518 2.935 0 O-C-N 118.622 -2.548 . . . . 0.0 110.905 170.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -71.97 55.19 0.29 Allowed 'General case' 0 C--N 1.375 1.692 0 N-CA-C 119.909 3.3 . . . . 0.0 119.909 -177.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 37.0 p -123.34 151.11 62.09 Favored Pre-proline 0 N--CA 1.526 3.357 1 O-C-N 113.141 -5.975 . . . . 0.0 108.513 174.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -35.11 -52.36 0.75 Allowed 'Trans proline' 0 N--CA 1.499 1.819 0 C-N-CA 124.277 3.318 . . . . 0.0 113.565 176.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 61.3 m -55.27 -47.71 75.07 Favored 'General case' 0 C--O 1.261 1.678 0 O-C-N 119.513 -1.992 . . . . 0.0 116.188 177.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.62 -44.02 83.49 Favored Glycine 0 N--CA 1.425 -2.061 0 O-C-N 127.163 2.789 . . . . 0.0 109.578 -178.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 90.4 mt -56.76 -43.08 78.83 Favored 'Isoleucine or valine' 0 C--O 1.169 -3.181 0 CA-C-N 120.005 1.902 . . . . 0.0 107.147 177.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . 0.252 2.9 t -69.16 -32.42 53.91 Favored 'Isoleucine or valine' 0 N--CA 1.534 3.742 0 O-C-N 119.25 -2.156 . . . . 0.0 111.778 -178.204 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -86.15 0.73 52.9 Favored 'General case' 1 N--CA 1.541 4.113 0 CA-C-N 119.528 1.058 . . . . 0.0 109.557 178.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 53.9 m -87.55 -55.55 3.74 Favored 'General case' 0 N--CA 1.419 -2.023 0 N-CA-C 106.097 -1.816 . . . . 0.0 106.097 163.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.1 t -47.74 -42.34 9.13 Favored 'Isoleucine or valine' 0 C--O 1.262 1.754 0 CA-C-O 115.998 -1.953 . . . . 0.0 114.565 174.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -52.19 -48.75 64.86 Favored 'General case' 0 N--CA 1.483 1.212 0 O-C-N 127.583 3.052 . . . . 0.0 114.23 174.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -70.91 -44.51 66.08 Favored 'General case' 0 C--O 1.199 -1.591 0 C-N-CA 124.848 1.259 . . . . 0.0 114.064 -176.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 32.3 t90 -48.33 -61.18 2.13 Favored 'General case' 0 N--CA 1.529 3.483 0 O-C-N 126.233 2.208 . . . . 0.0 110.406 173.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.484 ' NH2' ' H ' ' A' ' 82' ' ' GLY . 20.7 mmm180 -49.25 -51.91 30.51 Favored 'General case' 0 C--O 1.268 2.032 0 C-N-CA 124.939 1.296 . . . . 0.0 112.639 177.095 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -75.44 -17.09 60.25 Favored 'General case' 0 C--N 1.294 -1.845 0 O-C-N 118.317 -2.739 . . . . 0.0 115.351 -176.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -80.02 -42.91 22.87 Favored 'General case' 0 CA--C 1.58 2.11 0 CA-C-O 125.045 2.355 . . . . 0.0 114.589 175.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -82.81 -20.76 35.12 Favored 'General case' 0 CA--C 1.483 -1.618 0 CA-C-N 108.601 -3.908 . . . . 0.0 111.748 178.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 95.09 35.77 5.68 Favored Glycine 0 N--CA 1.413 -2.843 0 O-C-N 118.758 -2.464 . . . . 0.0 110.052 170.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt -87.8 -179.95 6.36 Favored 'General case' 0 N--CA 1.522 3.165 0 CA-C-O 115.295 -2.288 . . . . 0.0 116.247 -176.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.0 p -66.31 -20.38 66.08 Favored 'General case' 0 N--CA 1.436 -1.127 0 CA-C-N 121.801 2.091 . . . . 0.0 112.968 -171.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.484 ' H ' ' NH2' ' A' ' 75' ' ' ARG . . . 83.4 -164.74 42.09 Favored Glycine 0 CA--C 1.567 3.306 0 O-C-N 118.298 -2.751 . . . . 0.0 111.204 177.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -84.41 -155.71 0.21 Allowed 'General case' 0 N--CA 1.498 1.966 1 O-C-N 116.293 -4.063 . . . . 0.0 113.264 174.217 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 22.5 tttp -79.26 173.44 12.57 Favored 'General case' 0 C--O 1.274 2.388 0 O-C-N 117.35 -3.344 . . . . 0.0 106.28 165.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -57.65 105.53 0.26 Allowed 'General case' 0 CA--C 1.559 1.303 0 CA-C-O 124.498 2.094 . . . . 0.0 113.267 163.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.369 2.37 0 CA-C-O 114.331 -3.483 . . . . 0.0 118.429 178.544 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 3.0 ttt . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 103.645 -2.724 . . . . 0.0 103.645 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -61.25 132.46 53.69 Favored 'General case' 0 CA--C 1.487 -1.453 0 N-CA-C 106.215 -1.772 . . . . 0.0 106.215 171.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 22.0 t -62.25 142.74 57.55 Favored 'General case' 0 C--O 1.299 3.688 0 C-N-CA 126.203 1.801 . . . . 0.0 111.843 175.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 18.7 ptmt -65.59 9.78 0.11 Allowed 'General case' 0 N--CA 1.522 3.148 0 CA-C-N 112.53 -2.123 . . . . 0.0 112.945 -162.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 5.0 ptm85 -79.3 -15.77 57.44 Favored 'General case' 0 C--O 1.175 -2.851 0 O-C-N 117.441 -3.287 . . . . 0.0 113.511 170.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -114.69 82.98 1.82 Allowed 'General case' 0 C--O 1.25 1.102 0 O-C-N 118.754 -2.466 . . . . 0.0 108.91 171.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 5.1 ttpt -171.04 156.47 4.73 Favored Pre-proline 0 CA--C 1.559 1.289 1 CA-C-N 108.008 -4.178 . . . . 0.0 107.388 -179.319 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -76.08 149.48 32.5 Favored 'Trans proline' 0 C--O 1.279 2.564 1 C-N-CA 127.706 5.604 . . . . 0.0 115.378 -177.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -175.05 178.11 46.87 Favored Glycine 1 N--CA 1.522 4.394 0 CA-C-O 124.954 2.419 . . . . 0.0 113.428 -172.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -106.33 128.64 54.15 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 119.316 -2.285 . . . . 0.0 112.139 -179.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . 0.284 . . -71.74 123.93 23.68 Favored 'General case' 0 C--O 1.189 -2.083 0 N-CA-C 116.039 1.866 . . . . 0.0 116.039 176.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . 0.262 69.8 p -120.73 142.25 49.7 Favored 'General case' 0 N--CA 1.512 2.668 2 O-C-N 115.136 -4.728 . . . . 0.0 111.695 179.415 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -179.37 171.55 43.4 Favored Glycine 0 N--CA 1.42 -2.408 0 C-N-CA 116.767 -2.635 . . . . 0.0 108.736 176.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -118.5 -63.39 1.41 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 112.027 -2.086 . . . . 0.0 107.487 168.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.22 151.16 26.33 Favored Glycine 0 N--CA 1.404 -3.44 0 CA-C-N 114.669 -1.15 . . . . 0.0 113.54 172.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 53.3 mmtt -84.37 135.59 41.17 Favored Pre-proline 0 C--N 1.318 -0.803 1 N-CA-C 121.896 4.036 . . . . 0.0 121.896 -178.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -69.12 81.17 0.67 Allowed 'Trans proline' 0 N--CA 1.493 1.463 0 N-CA-C 118.107 2.31 . . . . 0.0 118.107 174.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . 0.279 35.4 m -85.31 -179.84 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.41 -2.46 0 O-C-N 125.585 1.803 . . . . 0.0 113.944 -177.046 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -129.05 166.27 21.54 Favored Glycine 0 N--CA 1.425 -2.036 0 CA-C-N 113.437 -1.71 . . . . 0.0 110.638 172.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . 0.319 1.0 OUTLIER -57.32 -16.99 10.13 Favored 'General case' 0 C--O 1.276 2.45 0 N-CA-C 120.634 3.568 . . . . 0.0 120.634 -175.355 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 48.0 mmtt -88.7 13.6 11.97 Favored 'General case' 0 N--CA 1.405 -2.683 0 N-CA-C 116.21 1.93 . . . . 0.0 116.21 177.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' TRP . . . . . . . . . . . . . 21.8 p-90 -51.51 -38.65 55.11 Favored 'General case' 0 C--O 1.19 -2.033 0 C-N-CA 127.03 2.132 . . . . 0.0 112.952 -174.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 20.0 mt -63.64 -31.84 73.13 Favored 'General case' 0 N--CA 1.512 2.646 0 CA-C-O 115.835 -2.031 . . . . 0.0 109.726 -177.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -62.23 -17.3 57.91 Favored 'General case' 0 C--O 1.252 1.218 1 CA-C-N 126.635 4.289 . . . . 0.0 117.617 173.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -97.39 -8.22 30.02 Favored 'General case' 0 C--O 1.189 -2.115 0 CA-C-N 115.137 -0.938 . . . . 0.0 112.2 -170.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.49 1.07 0.39 Allowed 'General case' 0 N--CA 1.423 -1.806 0 N-CA-C 116.254 1.946 . . . . 0.0 116.254 174.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -118.22 28.95 6.66 Favored Glycine 1 C--O 1.165 -4.166 1 O-C-N 112.588 -6.32 . . . . 0.0 115.048 163.212 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 63.3 mttt -106.48 139.62 40.67 Favored 'General case' 1 C--O 1.322 4.893 0 N-CA-C 116.252 1.945 . . . . 0.0 116.252 166.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . 0.373 3.2 t70 68.52 -80.46 0.04 OUTLIER 'General case' 0 C--O 1.192 -1.921 2 O-C-N 113.927 -5.483 . . . . 0.0 115.486 161.307 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 5.8 m -145.78 9.57 1.17 Allowed 'General case' 0 CA--C 1.579 2.067 0 C-N-CA 114.491 -2.884 . . . . 0.0 111.745 169.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 117.53 170.01 15.06 Favored Glycine 0 C--O 1.263 1.959 0 CA-C-N 114.293 -1.321 . . . . 0.0 112.463 -173.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . 0.312 . . -97.2 119.4 63.24 Favored Pre-proline 0 C--N 1.285 -2.217 1 O-C-N 115.506 -4.526 . . . . 0.0 105.54 174.868 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -58.19 152.73 50.65 Favored 'Trans proline' 0 C--N 1.378 2.099 1 N-CA-C 122.909 4.157 . . . . 0.0 122.909 165.252 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . 0.37 29.5 mt -50.97 128.43 28.32 Favored Pre-proline 0 N--CA 1.479 1.02 0 C-N-CA 125.469 1.507 . . . . 0.0 114.689 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -64.42 148.05 90.71 Favored 'Trans proline' 0 C--O 1.199 -1.473 0 C-N-CA 122.66 2.24 . . . . 0.0 113.176 175.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -54.3 -32.14 55.75 Favored 'General case' 0 C--O 1.265 1.914 0 CA-C-O 112.135 -3.793 . . . . 0.0 111.789 170.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . 0.311 79.1 mtm-85 -71.48 -37.77 71.27 Favored 'General case' 0 C--N 1.282 -2.368 0 CA-C-N 125.9 3.955 . . . . 0.0 108.035 -175.667 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 47.9 mt -78.7 -45.77 25.01 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 C-N-CA 116.969 -1.892 . . . . 0.0 106.737 -179.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.99 -35.44 73.23 Favored 'General case' 0 CA--C 1.48 -1.712 0 N-CA-C 116.298 1.962 . . . . 0.0 116.298 178.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . 0.257 73.5 m-20 -58.12 -37.84 75.36 Favored 'General case' 0 C--O 1.278 2.553 0 C-N-CA 115.725 -2.39 . . . . 0.0 114.058 174.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 29.8 mmtm -74.08 -10.77 59.96 Favored 'General case' 0 CA--C 1.597 2.777 0 O-C-N 120.552 -1.342 . . . . 0.0 114.083 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 81.7 mt -115.52 13.27 16.38 Favored 'General case' 0 CA--C 1.506 -0.74 1 CA-C-O 128.849 4.166 . . . . 0.0 115.111 -172.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 20.2 ttm180 -69.0 96.9 0.81 Allowed 'General case' 0 C--O 1.264 1.859 0 CA-C-N 111.803 -2.453 . . . . 0.0 108.773 -170.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . 0.258 7.5 m-20 68.61 21.71 7.86 Favored 'General case' 0 C--O 1.244 0.776 0 C-N-CA 129.648 3.179 . . . . 0.0 116.106 178.427 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 19.4 mmtp -67.21 139.13 57.38 Favored 'General case' 0 C--O 1.189 -2.124 0 CA-C-O 117.44 -1.267 . . . . 0.0 114.17 165.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 34.1 tp10 -74.91 128.45 35.59 Favored 'General case' 0 C--O 1.284 2.898 0 O-C-N 128.991 3.932 . . . . 0.0 110.793 174.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -117.75 154.0 32.46 Favored 'General case' 0 N--CA 1.412 -2.337 0 CA-C-O 124.617 2.151 . . . . 0.0 108.482 167.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -94.5 -20.52 19.59 Favored 'General case' 0 C--O 1.276 2.495 0 N-CA-C 117.73 2.493 . . . . 0.0 117.73 -176.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 91.0 p -158.43 168.01 28.13 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 107.127 -1.435 . . . . 0.0 107.127 169.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -59.48 -42.05 91.21 Favored 'General case' 0 C--O 1.272 2.263 0 CA-C-O 113.817 -2.992 . . . . 0.0 113.202 166.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -57.27 -44.54 84.03 Favored 'General case' 0 CA--C 1.584 2.279 0 CA-C-N 122.54 2.427 . . . . 0.0 110.017 -178.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -56.04 -33.89 65.37 Favored 'General case' 0 N--CA 1.431 -1.406 0 N-CA-C 116.724 2.12 . . . . 0.0 116.724 173.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -63.66 -52.3 61.32 Favored 'General case' 0 C--O 1.266 1.966 0 O-C-N 126.72 2.513 . . . . 0.0 110.458 165.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 35.4 ttp85 -58.39 -44.37 88.94 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 125.38 1.675 . . . . 0.0 112.872 -174.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 35.5 mtpt -44.45 -65.51 0.51 Allowed 'General case' 0 C--O 1.28 2.689 0 C-N-CA 128.171 2.588 . . . . 0.0 107.893 170.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -49.99 -59.11 4.19 Favored 'General case' 0 C--O 1.21 -0.996 0 C-N-CA 127.48 2.312 . . . . 0.0 116.285 178.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 84.6 t -40.41 -61.78 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.17 0 N-CA-C 115.087 1.514 . . . . 0.0 115.087 170.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' TRP . . . . . . . . . . . . . 3.2 m95 -53.05 -33.37 51.62 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 119.539 3.163 . . . . 0.0 119.539 172.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -76.05 -39.29 55.86 Favored 'General case' 0 C--O 1.276 2.462 0 CA-C-N 113.901 -1.499 . . . . 0.0 109.994 175.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -63.33 -31.59 72.78 Favored 'General case' 0 C--O 1.174 -2.918 0 O-C-N 118.982 -2.324 . . . . 0.0 111.819 178.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 46.7 t -45.97 -49.1 5.09 Favored 'Isoleucine or valine' 0 C--N 1.353 0.726 0 C-N-CA 124.763 1.225 . . . . 0.0 111.39 162.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 1.5 p -77.69 -24.9 49.14 Favored 'General case' 0 N--CA 1.516 2.864 1 O-C-N 116.261 -4.024 . . . . 0.0 113.336 178.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 23.7 mtmt -85.2 -17.89 35.72 Favored 'General case' 0 C--O 1.272 2.243 0 N-CA-C 116.363 1.986 . . . . 0.0 116.363 176.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -90.57 119.13 69.11 Favored Pre-proline 0 N--CA 1.415 -2.198 0 O-C-N 119.566 -1.959 . . . . 0.0 108.725 170.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_exo -65.84 -14.7 45.85 Favored 'Trans proline' 0 CA--C 1.573 2.457 0 C-N-CA 121.491 1.461 . . . . 0.0 111.878 -169.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -96.23 -34.14 11.74 Favored 'General case' 0 C--O 1.294 3.399 0 O-C-N 119.509 -1.995 . . . . 0.0 106.769 -173.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 19.1 mt -74.7 -41.47 60.14 Favored 'General case' 0 C--O 1.196 -1.711 0 C-N-CA 126.948 2.099 . . . . 0.0 114.321 -169.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 17.6 p -88.04 3.94 47.03 Favored 'General case' 0 N--CA 1.494 1.766 0 C-N-CA 115.824 -2.35 . . . . 0.0 117.124 173.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -52.43 -39.5 61.08 Favored 'General case' 0 CA--C 1.572 1.791 0 N-CA-C 117.356 2.354 . . . . 0.0 117.356 -173.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 20.8 m-80 -82.34 -0.4 45.6 Favored 'General case' 0 C--N 1.391 2.393 0 CA-C-N 114.698 -1.137 . . . . 0.0 111.426 -176.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 73.2 mt -92.93 152.66 19.23 Favored 'General case' 0 C--N 1.278 -2.538 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 -176.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 36.2 p-10 -97.45 157.17 35.26 Favored Pre-proline 0 C--O 1.268 2.041 0 O-C-N 128.771 3.794 . . . . 0.0 115.037 171.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -24.08 -48.84 0.05 OUTLIER 'Trans proline' 0 C--N 1.394 2.945 1 C-N-CA 126.849 5.033 . . . . 0.0 120.179 177.314 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 34.3 t -66.59 -42.58 86.72 Favored 'General case' 0 C--N 1.285 -2.222 0 N-CA-C 114.92 1.452 . . . . 0.0 114.92 177.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' ASN . . . . . . . . . . . . . 61.3 m-20 -74.69 -37.56 62.6 Favored 'General case' 0 N--CA 1.409 -2.488 0 C-N-CA 119.131 -1.027 . . . . 0.0 111.213 171.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 39.4 mttp -61.15 -38.38 86.23 Favored 'General case' 0 C--O 1.26 1.657 0 N-CA-C 115.636 1.717 . . . . 0.0 115.636 173.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 17.5 m -64.68 -40.24 95.05 Favored 'General case' 0 C--O 1.202 -1.421 0 CA-C-N 123.265 2.757 . . . . 0.0 110.205 172.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 15.9 m -51.3 -55.86 16.1 Favored 'General case' 0 C--N 1.367 1.345 0 N-CA-C 119.755 3.243 . . . . 0.0 119.755 176.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -58.28 -42.46 83.74 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.815 0 CA-C-N 111.089 -2.778 . . . . 0.0 113.247 177.274 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 90.7 p -77.41 -4.85 47.43 Favored 'General case' 0 C--N 1.389 2.326 0 CA-C-O 116.85 -1.548 . . . . 0.0 113.859 -179.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 39.3 mtmt -100.46 13.15 35.52 Favored 'General case' 0 CA--C 1.56 1.338 0 C-N-CA 129.881 3.272 . . . . 0.0 115.852 162.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 78.77 9.02 87.45 Favored Glycine 0 CA--C 1.558 2.748 0 CA-C-N 114.204 -1.362 . . . . 0.0 114.635 174.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -106.5 148.98 27.56 Favored 'General case' 0 C--O 1.269 2.098 0 N-CA-C 120.233 3.42 . . . . 0.0 120.233 177.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 20.2 m -64.28 124.84 86.87 Favored Pre-proline 0 CA--C 1.477 -1.864 0 CA-C-O 116.464 -1.732 . . . . 0.0 111.214 -170.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -44.72 171.07 0.02 OUTLIER 'Trans proline' 0 C--N 1.31 -1.495 1 C-N-CA 126.343 4.696 . . . . 0.0 116.379 162.326 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -113.33 -178.19 3.32 Favored 'General case' 0 C--O 1.188 -2.166 0 O-C-N 118.813 -2.43 . . . . 0.0 107.713 -171.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 6.3 p -118.03 159.9 41.11 Favored Pre-proline 0 C--O 1.184 -2.392 0 N-CA-C 115.887 1.81 . . . . 0.0 115.887 -176.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_exo -61.87 169.17 7.64 Favored 'Trans proline' 0 CA--C 1.472 -2.624 1 C-N-CA 127.846 5.698 . . . . 0.0 114.881 172.574 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 2.6 tptt -73.11 -8.56 56.32 Favored 'General case' 0 C--O 1.27 2.157 0 N-CA-C 118.56 2.8 . . . . 0.0 118.56 -175.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 20.9 p-10 -86.86 -0.91 57.3 Favored 'General case' 0 C--O 1.176 -2.814 0 CA-C-N 112.492 -2.14 . . . . 0.0 115.754 164.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -128.39 -18.06 4.09 Favored 'General case' 0 C--O 1.292 3.331 0 C-N-CA 114.521 -2.872 . . . . 0.0 111.549 -174.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -80.17 121.4 25.53 Favored 'General case' 0 C--N 1.385 2.145 0 CA-C-N 123.847 3.022 . . . . 0.0 108.261 178.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 81.0 t -105.05 76.71 0.46 Allowed 'Isoleucine or valine' 0 C--O 1.268 2.064 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 -170.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . 65.89 -74.47 0.12 Allowed Glycine 1 CA--C 1.589 4.675 0 O-C-N 124.899 1.374 . . . . 0.0 115.802 173.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -89.71 -42.93 5.28 Favored Glycine 0 C--N 1.353 1.511 0 C-N-CA 119.799 -1.191 . . . . 0.0 111.478 175.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 96' ' ' ARG . . . . . 0.461 ' NH2' ' HD1' ' B' ' 127' ' ' HIS . 2.0 mtp180 -81.47 102.37 10.5 Favored 'General case' 0 CA--C 1.483 -1.621 0 C-N-CA 125.2 1.4 . . . . 0.0 107.975 -175.17 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 56.6 mttp -109.39 -26.28 10.09 Favored 'General case' 0 C--O 1.175 -2.845 0 O-C-N 125.187 1.554 . . . . 0.0 112.938 178.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 19.2 m -91.51 154.74 3.13 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.06 0 CA-C-N 124.98 3.536 . . . . 0.0 115.242 -175.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 99' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -58.62 132.32 53.45 Favored 'General case' 0 C--O 1.186 -2.247 0 CA-C-O 125.552 2.596 . . . . 0.0 109.61 171.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -121.26 150.95 40.61 Favored 'General case' 0 C--N 1.379 1.88 0 O-C-N 117.795 -3.066 . . . . 0.0 112.604 -179.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 27.7 mt -96.31 127.07 41.97 Favored 'General case' 0 C--O 1.171 -3.035 0 O-C-N 116.397 -3.939 . . . . 0.0 110.28 173.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -132.0 175.03 9.57 Favored 'General case' 0 C--O 1.301 3.792 1 O-C-N 129.353 4.158 . . . . 0.0 109.47 -169.273 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 25.7 m-70 -134.96 148.46 50.02 Favored 'General case' 0 C--O 1.253 1.285 0 CA-C-N 124.885 3.493 . . . . 0.0 114.208 -167.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -76.91 -37.53 55.22 Favored 'General case' 0 C--O 1.265 1.873 0 O-C-N 126.509 2.381 . . . . 0.0 108.057 -174.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 30.6 mtpt -98.61 136.56 20.73 Favored Pre-proline 0 C--O 1.272 2.271 0 O-C-N 117.368 -3.333 . . . . 0.0 113.839 173.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -61.17 132.5 41.87 Favored 'Trans proline' 0 N--CA 1.484 0.924 0 C-N-CA 123.461 2.774 . . . . 0.0 107.914 174.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' ILE . . . . . . . . . . . . . 28.4 mt -46.1 -56.03 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.416 -2.142 0 O-C-N 118.814 -2.429 . . . . 0.0 112.113 178.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 1.7 p -54.88 -12.88 0.9 Allowed 'General case' 1 C--O 1.32 4.778 0 CA-C-O 116.119 -1.896 . . . . 0.0 114.541 177.011 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -117.82 29.45 7.82 Favored 'General case' 0 C--N 1.296 -1.739 2 CA-C-N 128.472 5.124 . . . . 0.0 114.373 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 86.17 48.59 4.54 Favored Glycine 0 C--O 1.248 1.008 0 C-N-CA 127.06 2.267 . . . . 0.0 114.558 -176.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . -87.81 111.42 3.72 Favored Glycine 0 C--N 1.379 2.923 0 O-C-N 116.778 -3.778 . . . . 0.0 116.057 176.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -68.3 104.35 1.83 Allowed 'General case' 0 N--CA 1.414 -2.23 0 CA-C-N 122.369 3.085 . . . . 0.0 115.616 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 33.2 t -59.74 -68.02 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.49 -1.335 0 CA-C-O 115.722 -2.085 . . . . 0.0 116.415 179.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 114' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -75.3 56.98 0.86 Allowed 'General case' 0 N--CA 1.44 -0.941 0 CA-C-N 121.045 1.748 . . . . 0.0 110.836 172.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -139.61 104.65 4.98 Favored 'General case' 0 C--O 1.267 1.986 0 O-C-N 118.03 -2.919 . . . . 0.0 108.51 168.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 116' ' ' MET . . . . . . . . . . . . . 3.4 mtm -58.4 -25.73 62.44 Favored 'General case' 0 N--CA 1.504 2.274 0 N-CA-C 118.438 2.755 . . . . 0.0 118.438 -165.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.98 -15.28 29.8 Favored 'General case' 0 N--CA 1.511 2.613 0 C-N-CA 125.114 1.366 . . . . 0.0 112.933 174.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -104.79 -5.24 21.4 Favored 'General case' 0 CA--C 1.57 1.74 0 CA-C-O 122.442 1.115 . . . . 0.0 111.736 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 119' ' ' ILE . . . . . . . . . . . . . 15.5 mt -106.18 118.0 52.99 Favored 'Isoleucine or valine' 0 C--N 1.4 2.798 0 O-C-N 119.003 -2.311 . . . . 0.0 106.94 -167.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 24.7 mmm-85 -108.01 131.52 54.48 Favored 'General case' 1 C--O 1.144 -4.45 0 CA-C-N 108.889 -3.778 . . . . 0.0 110.171 -176.023 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . 0.356 6.7 t -73.81 123.43 28.99 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.148 0 CA-C-N 111.275 -2.693 . . . . 0.0 105.799 170.587 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 6.3 p -125.62 146.13 49.84 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 125.001 1.438 . . . . 0.0 113.579 175.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 32.0 p -73.04 158.05 87.65 Favored Pre-proline 0 C--O 1.274 2.387 0 O-C-N 120.299 -1.501 . . . . 0.0 110.436 160.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . 0.278 0.0 OUTLIER -42.89 -41.7 8.88 Favored 'Trans proline' 0 C--N 1.359 1.085 1 C-N-CA 126.523 4.815 . . . . 0.0 118.058 170.143 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 24.1 tptp -65.48 -34.16 77.61 Favored 'General case' 0 N--CA 1.435 -1.2 0 O-C-N 127.037 2.711 . . . . 0.0 112.389 179.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -76.28 -40.6 51.32 Favored 'General case' 0 C--O 1.246 0.87 0 O-C-N 125.832 1.958 . . . . 0.0 113.885 173.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 127' ' ' HIS . . . . . 0.461 ' HD1' ' NH2' ' B' ' 96' ' ' ARG . 56.6 t-80 -60.39 -48.57 81.2 Favored 'General case' 0 C--O 1.251 1.176 0 CA-C-N 122.113 2.233 . . . . 0.0 109.412 -178.286 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 128' ' ' ILE . . . . . . . . . . . . 0.279 39.8 mt -53.52 -46.31 59.6 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.911 0 C-N-CA 127.353 2.261 . . . . 0.0 114.181 171.077 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -50.69 -57.8 7.4 Favored 'General case' 0 N--CA 1.512 2.66 0 O-C-N 117.074 -3.516 . . . . 0.0 113.918 171.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 40.1 mt -77.8 -31.98 17.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 1 O-C-N 115.058 -4.776 . . . . 0.0 112.249 -173.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 131' ' ' HIS . . . . . . . . . . . . . 58.5 m-70 -92.57 21.16 5.63 Favored 'General case' 0 N--CA 1.432 -1.33 0 O-C-N 119.667 -1.896 . . . . 0.0 115.911 171.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 82.0 mmt-85 55.73 55.18 7.38 Favored 'General case' 0 C--N 1.36 1.037 0 C-N-CA 129.461 3.104 . . . . 0.0 111.893 156.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 133' ' ' GLY . . . . . . . . . . . . . . . 104.96 -52.71 0.71 Allowed Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 116.691 -2.671 . . . . 0.0 113.759 175.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 35.7 mttm . . . . . 0 N--CA 1.481 1.111 0 C-N-CA 118.813 -1.155 . . . . 0.0 110.063 175.513 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.1 mmt . . . . . 0 C--O 1.24 0.553 0 CA-C-O 116.061 -1.923 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -82.5 55.32 2.9 Favored 'General case' 0 C--N 1.272 -2.786 0 CA-C-O 127.158 3.361 . . . . 0.0 119.767 -178.216 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 90.0 mt -104.77 151.77 23.36 Favored 'General case' 0 C--O 1.263 1.784 0 CA-C-N 112.288 -2.233 . . . . 0.0 109.335 -175.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 18.7 mmtt -91.29 152.27 20.55 Favored 'General case' 0 C--N 1.363 1.192 0 CA-C-N 109.83 -3.35 . . . . 0.0 107.225 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 -78.68 -25.08 44.78 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 111.396 -2.638 . . . . 0.0 117.391 -170.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.568 ' HA ' ' HG3' ' A' ' 43' ' ' MET . 67.7 m -177.61 178.76 0.98 Allowed 'General case' 0 C--N 1.294 -1.843 0 O-C-N 127.093 2.745 . . . . 0.0 107.538 179.021 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.6 tt -54.92 -40.98 55.56 Favored 'Isoleucine or valine' 0 C--N 1.356 0.881 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 168.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.8 m -60.56 14.11 0.01 OUTLIER 'General case' 0 N--CA 1.538 3.937 0 C-N-CA 128.321 2.648 . . . . 0.0 112.509 179.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -126.66 17.41 7.47 Favored 'General case' 0 CA--C 1.562 1.427 1 O-C-N 116.145 -4.097 . . . . 0.0 117.53 157.151 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -101.26 142.41 32.73 Favored 'General case' 0 C--O 1.269 2.094 0 N-CA-C 100.709 -3.812 . . . . 0.0 100.709 166.046 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.6 p -86.76 159.65 19.07 Favored 'General case' 0 CA--C 1.555 1.166 0 N-CA-C 102.944 -2.984 . . . . 0.0 102.944 153.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.424 ' HG2' ' H ' ' A' ' 12' ' ' GLU . 7.8 pt-20 -57.58 -34.13 68.9 Favored 'General case' 0 CA--C 1.46 -2.496 0 O-C-N 118.335 -2.728 . . . . 0.0 117.436 -170.128 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.83 -33.83 72.84 Favored 'General case' 0 C--O 1.209 -1.078 0 O-C-N 125.551 1.782 . . . . 0.0 111.759 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -64.79 -48.51 74.22 Favored 'General case' 0 C--N 1.37 1.469 0 O-C-N 120.234 -1.541 . . . . 0.0 112.46 168.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.475 ' HE2' HG21 ' A' ' 71' ' ' VAL . 12.3 t80 -58.78 -37.33 76.05 Favored 'General case' 0 C--N 1.381 1.973 0 C-N-CA 125.859 1.664 . . . . 0.0 112.719 176.322 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.513 ' HA ' HG21 ' A' ' 68' ' ' VAL . 2.2 tt -58.99 -42.84 90.99 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-O 125.095 2.379 . . . . 0.0 113.046 172.667 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -65.02 -47.77 76.26 Favored 'General case' 0 C--N 1.369 1.429 0 CA-C-N 111.774 -2.466 . . . . 0.0 107.443 178.1 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.1 tp -59.6 -41.55 90.56 Favored 'General case' 0 C--O 1.255 1.345 0 O-C-N 124.016 0.822 . . . . 0.0 110.231 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 47.6 t -70.42 -43.53 78.07 Favored 'Isoleucine or valine' 0 N--CA 1.525 3.278 0 CA-C-O 114.546 -2.645 . . . . 0.0 111.391 178.269 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 27.0 m -51.94 -48.56 64.22 Favored 'General case' 0 C--N 1.284 -2.248 0 CA-C-N 122.777 2.535 . . . . 0.0 109.967 175.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.3 m -52.09 -47.15 65.36 Favored 'General case' 0 C--O 1.263 1.805 0 C-N-CA 126.162 1.785 . . . . 0.0 113.284 175.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 43.0 mt -64.59 -50.11 77.32 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.646 1 O-C-N 129.638 4.336 . . . . 0.0 107.587 176.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 4.9 m -79.7 -7.27 58.49 Favored 'General case' 0 N--CA 1.436 -1.155 0 CA-C-N 122.05 2.204 . . . . 0.0 114.116 -165.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . 0.294 19.5 m-80 -111.03 0.58 17.0 Favored 'General case' 0 N--CA 1.481 1.096 0 O-C-N 126.491 2.369 . . . . 0.0 106.701 173.002 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 47.97 58.87 4.64 Favored 'General case' 0 C--N 1.392 2.437 0 CA-C-O 125.71 2.671 . . . . 0.0 113.298 -168.068 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . 0.311 27.8 t70 -83.63 54.62 2.92 Favored 'General case' 0 N--CA 1.415 -2.194 0 CA-C-N 110.197 -3.183 . . . . 0.0 116.5 -178.132 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.1 p -154.61 -172.63 4.27 Favored 'General case' 0 N--CA 1.41 -2.46 0 CA-C-O 116.403 -1.761 . . . . 0.0 107.59 -172.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.9 t -107.07 -27.98 10.28 Favored 'General case' 0 C--N 1.393 2.494 0 CA-C-N 124.783 3.447 . . . . 0.0 118.978 -176.057 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.7 m -129.7 147.03 51.44 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 119.95 -1.719 . . . . 0.0 111.764 173.299 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -40.78 -43.12 1.93 Allowed 'General case' 0 C--N 1.273 -2.758 2 O-C-N 130.885 5.116 . . . . 0.0 119.566 159.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -74.15 -10.39 59.56 Favored 'General case' 0 C--O 1.185 -2.315 0 CA-C-O 128.218 3.866 . . . . 0.0 111.399 -175.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -74.04 -61.38 1.87 Allowed 'General case' 0 C--O 1.264 1.82 1 O-C-N 112.835 -6.165 . . . . 0.0 108.444 162.332 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 40.9 tp -60.31 -30.56 69.57 Favored 'General case' 0 C--O 1.18 -2.559 0 CA-C-O 125.237 2.446 . . . . 0.0 114.04 -167.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.5 p -63.93 -32.77 58.43 Favored 'Isoleucine or valine' 1 N--CA 1.551 4.612 0 O-C-N 120.401 -1.437 . . . . 0.0 114.07 169.333 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 70.4 mttt -84.19 -32.76 24.39 Favored 'General case' 0 C--O 1.287 3.03 0 O-C-N 126.126 2.141 . . . . 0.0 110.193 175.058 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -62.6 -40.28 96.44 Favored 'General case' 1 C--O 1.152 -4.04 0 CA-C-N 125.869 3.94 . . . . 0.0 119.379 171.112 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . 0.294 2.8 p -72.07 -35.89 55.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 CA-C-N 112.102 -2.317 . . . . 0.0 108.783 174.736 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 53.1 m -65.81 -35.93 82.07 Favored 'General case' 0 CA--C 1.462 -2.433 0 CA-C-N 124.639 3.381 . . . . 0.0 108.821 175.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -65.02 -52.29 56.82 Favored 'General case' 0 C--N 1.379 1.873 0 CA-C-O 116.864 -1.541 . . . . 0.0 109.04 176.765 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -40.96 -50.96 3.29 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 124.908 1.38 . . . . 0.0 112.021 173.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.784 ' HG3' ' HA3' ' A' ' 49' ' ' GLY . 0.2 OUTLIER -69.74 -46.41 65.96 Favored 'General case' 0 CA--C 1.465 -2.314 0 O-C-N 118.672 -2.518 . . . . 0.0 116.525 -176.722 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -76.0 -15.19 60.19 Favored 'General case' 0 CA--C 1.573 1.833 0 CA-C-O 117.796 -1.097 . . . . 0.0 112.556 -172.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.568 ' HG3' ' HA ' ' A' ' 6' ' ' SER . 0.0 OUTLIER -85.8 -35.74 20.5 Favored 'General case' 0 N--CA 1.4 -2.973 0 N-CA-C 115.729 1.752 . . . . 0.0 115.729 174.316 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . 0.348 5.3 t -95.58 -7.36 38.02 Favored 'General case' 0 CA--C 1.564 1.511 0 N-CA-C 118.558 2.799 . . . . 0.0 118.558 -178.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 81.05 -29.64 0.12 Allowed 'General case' 0 C--O 1.193 -1.869 0 C-N-CA 126.195 1.798 . . . . 0.0 115.171 170.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -43.23 116.78 2.17 Favored Pre-proline 0 CA--C 1.507 -0.702 0 N-CA-C 120.821 3.637 . . . . 0.0 120.821 175.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -58.42 -42.78 51.96 Favored 'Trans proline' 0 N--CA 1.509 2.413 0 N-CA-C 121.996 3.806 . . . . 0.0 121.996 -165.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.426 ' O ' ' HD3' ' B' ' 89' ' ' LYS . 4.5 p -70.64 -34.64 72.29 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 121.653 3.945 . . . . 0.0 121.653 169.3 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.784 ' HA3' ' HG3' ' A' ' 41' ' ' GLU . . . 44.97 -99.85 0.02 OUTLIER Glycine 0 N--CA 1.516 3.999 0 O-C-N 127.894 3.246 . . . . 0.0 115.362 167.515 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.498 ' HB2' HE22 ' B' ' 92' ' ' GLN . 0.1 OUTLIER -51.78 -48.8 63.64 Favored 'General case' 0 C--N 1.384 2.067 0 O-C-N 127.135 2.315 . . . . 0.0 115.671 -179.605 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -66.27 -14.14 61.53 Favored 'General case' 0 N--CA 1.407 -2.587 0 CA-C-N 119.768 1.167 . . . . 0.0 111.196 -172.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 20.2 tp -70.71 -42.28 70.82 Favored 'General case' 0 C--N 1.399 2.738 1 O-C-N 114.904 -4.873 . . . . 0.0 107.36 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.467 HG12 HD13 ' A' ' 67' ' ' ILE . 86.3 mt -71.56 -50.62 38.47 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.158 0 O-C-N 127.62 3.075 . . . . 0.0 108.361 179.422 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -85.69 -23.18 27.52 Favored 'General case' 0 C--O 1.265 1.891 0 N-CA-C 121.633 3.938 . . . . 0.0 121.633 -170.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.542 ' HA ' ' HD2' ' A' ' 56' ' ' PRO 0.369 90.0 m-85 -139.06 91.67 11.28 Favored Pre-proline 0 N--CA 1.51 2.537 0 CA-C-N 122.551 2.432 . . . . 0.0 107.749 173.172 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.542 ' HD2' ' HA ' ' A' ' 55' ' ' TYR . 23.2 Cg_endo -54.42 137.38 72.07 Favored 'Trans proline' 0 C--O 1.279 2.572 2 C-N-CA 130.907 7.738 . . . . 0.0 112.7 179.439 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -88.11 138.56 31.34 Favored 'General case' 0 C--O 1.255 1.38 1 CA-C-N 105.788 -5.187 . . . . 0.0 106.434 173.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -75.79 118.33 18.48 Favored 'General case' 0 CA--C 1.501 -0.905 0 CA-C-N 110.168 -3.196 . . . . 0.0 108.064 -171.179 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 121.19 -26.55 6.68 Favored Glycine 0 C--N 1.38 3.009 0 C-N-CA 116.824 -2.608 . . . . 0.0 110.756 -170.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -90.77 148.06 22.8 Favored 'General case' 0 C--O 1.272 2.249 0 O-C-N 124.688 0.876 . . . . 0.0 111.977 172.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -88.84 108.41 19.51 Favored 'General case' 0 N--CA 1.518 2.935 0 O-C-N 118.622 -2.548 . . . . 0.0 110.905 170.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -71.97 55.19 0.29 Allowed 'General case' 0 C--N 1.375 1.692 0 N-CA-C 119.909 3.3 . . . . 0.0 119.909 -177.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 37.0 p -123.34 151.11 62.09 Favored Pre-proline 0 N--CA 1.526 3.357 1 O-C-N 113.141 -5.975 . . . . 0.0 108.513 174.58 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -35.11 -52.36 0.75 Allowed 'Trans proline' 0 N--CA 1.499 1.819 0 C-N-CA 124.277 3.318 . . . . 0.0 113.565 176.395 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 61.3 m -55.27 -47.71 75.07 Favored 'General case' 0 C--O 1.261 1.678 0 O-C-N 119.513 -1.992 . . . . 0.0 116.188 177.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.62 -44.02 83.49 Favored Glycine 0 N--CA 1.425 -2.061 0 O-C-N 127.163 2.789 . . . . 0.0 109.578 -178.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.467 HD13 HG12 ' A' ' 53' ' ' ILE . 90.4 mt -56.76 -43.08 78.83 Favored 'Isoleucine or valine' 0 C--O 1.169 -3.181 0 CA-C-N 120.005 1.902 . . . . 0.0 107.147 177.015 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.513 HG21 ' HA ' ' A' ' 16' ' ' LEU 0.252 2.9 t -69.16 -32.42 53.91 Favored 'Isoleucine or valine' 0 N--CA 1.534 3.742 0 O-C-N 119.25 -2.156 . . . . 0.0 111.778 -178.204 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -86.15 0.73 52.9 Favored 'General case' 1 N--CA 1.541 4.113 0 CA-C-N 119.528 1.058 . . . . 0.0 109.557 178.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 53.9 m -87.55 -55.55 3.74 Favored 'General case' 0 N--CA 1.419 -2.023 0 N-CA-C 106.097 -1.816 . . . . 0.0 106.097 163.023 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.475 HG21 ' HE2' ' A' ' 15' ' ' PHE . 2.1 t -47.74 -42.34 9.13 Favored 'Isoleucine or valine' 0 C--O 1.262 1.754 0 CA-C-O 115.998 -1.953 . . . . 0.0 114.565 174.461 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -52.19 -48.75 64.86 Favored 'General case' 0 N--CA 1.483 1.212 0 O-C-N 127.583 3.052 . . . . 0.0 114.23 174.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -70.91 -44.51 66.08 Favored 'General case' 0 C--O 1.199 -1.591 0 C-N-CA 124.848 1.259 . . . . 0.0 114.064 -176.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 32.3 t90 -48.33 -61.18 2.13 Favored 'General case' 0 N--CA 1.529 3.483 0 O-C-N 126.233 2.208 . . . . 0.0 110.406 173.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.551 HH21 ' N ' ' A' ' 82' ' ' GLY . 20.7 mmm180 -49.25 -51.91 30.51 Favored 'General case' 0 C--O 1.268 2.032 0 C-N-CA 124.939 1.296 . . . . 0.0 112.639 177.095 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -75.44 -17.09 60.25 Favored 'General case' 0 C--N 1.294 -1.845 0 O-C-N 118.317 -2.739 . . . . 0.0 115.351 -176.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -80.02 -42.91 22.87 Favored 'General case' 0 CA--C 1.58 2.11 0 CA-C-O 125.045 2.355 . . . . 0.0 114.589 175.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -82.81 -20.76 35.12 Favored 'General case' 0 CA--C 1.483 -1.618 0 CA-C-N 108.601 -3.908 . . . . 0.0 111.748 178.045 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 95.09 35.77 5.68 Favored Glycine 0 N--CA 1.413 -2.843 0 O-C-N 118.758 -2.464 . . . . 0.0 110.052 170.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt -87.8 -179.95 6.36 Favored 'General case' 0 N--CA 1.522 3.165 0 CA-C-O 115.295 -2.288 . . . . 0.0 116.247 -176.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.0 p -66.31 -20.38 66.08 Favored 'General case' 0 N--CA 1.436 -1.127 0 CA-C-N 121.801 2.091 . . . . 0.0 112.968 -171.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.551 ' N ' HH21 ' A' ' 75' ' ' ARG . . . 83.4 -164.74 42.09 Favored Glycine 0 CA--C 1.567 3.306 0 O-C-N 118.298 -2.751 . . . . 0.0 111.204 177.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -84.41 -155.71 0.21 Allowed 'General case' 0 N--CA 1.498 1.966 1 O-C-N 116.293 -4.063 . . . . 0.0 113.264 174.217 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 22.5 tttp -79.26 173.44 12.57 Favored 'General case' 0 C--O 1.274 2.388 0 O-C-N 117.35 -3.344 . . . . 0.0 106.28 165.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -57.65 105.53 0.26 Allowed 'General case' 0 CA--C 1.559 1.303 0 CA-C-O 124.498 2.094 . . . . 0.0 113.267 163.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.369 2.37 0 CA-C-O 114.331 -3.483 . . . . 0.0 118.429 178.544 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 3.0 ttt . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 103.645 -2.724 . . . . 0.0 103.645 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -61.25 132.46 53.69 Favored 'General case' 0 CA--C 1.487 -1.453 0 N-CA-C 106.215 -1.772 . . . . 0.0 106.215 171.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 22.0 t -62.25 142.74 57.55 Favored 'General case' 0 C--O 1.299 3.688 0 C-N-CA 126.203 1.801 . . . . 0.0 111.843 175.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 18.7 ptmt -65.59 9.78 0.11 Allowed 'General case' 0 N--CA 1.522 3.148 0 CA-C-N 112.53 -2.123 . . . . 0.0 112.945 -162.242 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 5.0 ptm85 -79.3 -15.77 57.44 Favored 'General case' 0 C--O 1.175 -2.851 0 O-C-N 117.441 -3.287 . . . . 0.0 113.511 170.402 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -114.69 82.98 1.82 Allowed 'General case' 0 C--O 1.25 1.102 0 O-C-N 118.754 -2.466 . . . . 0.0 108.91 171.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 5.1 ttpt -171.04 156.47 4.73 Favored Pre-proline 0 CA--C 1.559 1.289 1 CA-C-N 108.008 -4.178 . . . . 0.0 107.388 -179.319 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -76.08 149.48 32.5 Favored 'Trans proline' 0 C--O 1.279 2.564 1 C-N-CA 127.706 5.604 . . . . 0.0 115.378 -177.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -175.05 178.11 46.87 Favored Glycine 1 N--CA 1.522 4.394 0 CA-C-O 124.954 2.419 . . . . 0.0 113.428 -172.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -106.33 128.64 54.15 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 119.316 -2.285 . . . . 0.0 112.139 -179.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . 0.284 . . -71.74 123.93 23.68 Favored 'General case' 0 C--O 1.189 -2.083 0 N-CA-C 116.039 1.866 . . . . 0.0 116.039 176.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . 0.262 69.8 p -120.73 142.25 49.7 Favored 'General case' 0 N--CA 1.512 2.668 2 O-C-N 115.136 -4.728 . . . . 0.0 111.695 179.415 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -179.37 171.55 43.4 Favored Glycine 0 N--CA 1.42 -2.408 0 C-N-CA 116.767 -2.635 . . . . 0.0 108.736 176.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -118.5 -63.39 1.41 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 112.027 -2.086 . . . . 0.0 107.487 168.402 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.22 151.16 26.33 Favored Glycine 0 N--CA 1.404 -3.44 0 CA-C-N 114.669 -1.15 . . . . 0.0 113.54 172.087 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.438 ' HA ' ' HD3' ' B' ' 17' ' ' PRO . 53.3 mmtt -84.37 135.59 41.17 Favored Pre-proline 0 C--N 1.318 -0.803 1 N-CA-C 121.896 4.036 . . . . 0.0 121.896 -178.92 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 17' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' B' ' 16' ' ' LYS . 77.9 Cg_exo -69.12 81.17 0.67 Allowed 'Trans proline' 0 N--CA 1.493 1.463 0 N-CA-C 118.107 2.31 . . . . 0.0 118.107 174.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.458 HG21 ' HG3' ' B' ' 35' ' ' PRO 0.279 35.4 m -85.31 -179.84 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.41 -2.46 0 O-C-N 125.585 1.803 . . . . 0.0 113.944 -177.046 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -129.05 166.27 21.54 Favored Glycine 0 N--CA 1.425 -2.036 0 CA-C-N 113.437 -1.71 . . . . 0.0 110.638 172.052 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . 0.319 1.0 OUTLIER -57.32 -16.99 10.13 Favored 'General case' 0 C--O 1.276 2.45 0 N-CA-C 120.634 3.568 . . . . 0.0 120.634 -175.355 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.546 ' HE2' HD21 ' B' ' 70' ' ' ASN . 48.0 mmtt -88.7 13.6 11.97 Favored 'General case' 0 N--CA 1.405 -2.683 0 N-CA-C 116.21 1.93 . . . . 0.0 116.21 177.785 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 22' ' ' TRP . . . . . 0.536 ' HZ3' HG21 ' B' ' 121' ' ' VAL . 21.8 p-90 -51.51 -38.65 55.11 Favored 'General case' 0 C--O 1.19 -2.033 0 C-N-CA 127.03 2.132 . . . . 0.0 112.952 -174.059 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 20.0 mt -63.64 -31.84 73.13 Favored 'General case' 0 N--CA 1.512 2.646 0 CA-C-O 115.835 -2.031 . . . . 0.0 109.726 -177.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -62.23 -17.3 57.91 Favored 'General case' 0 C--O 1.252 1.218 1 CA-C-N 126.635 4.289 . . . . 0.0 117.617 173.785 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -97.39 -8.22 30.02 Favored 'General case' 0 C--O 1.189 -2.115 0 CA-C-N 115.137 -0.938 . . . . 0.0 112.2 -170.384 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.49 1.07 0.39 Allowed 'General case' 0 N--CA 1.423 -1.806 0 N-CA-C 116.254 1.946 . . . . 0.0 116.254 174.307 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -118.22 28.95 6.66 Favored Glycine 1 C--O 1.165 -4.166 1 O-C-N 112.588 -6.32 . . . . 0.0 115.048 163.212 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 63.3 mttt -106.48 139.62 40.67 Favored 'General case' 1 C--O 1.322 4.893 0 N-CA-C 116.252 1.945 . . . . 0.0 116.252 166.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . 0.373 3.2 t70 68.52 -80.46 0.04 OUTLIER 'General case' 0 C--O 1.192 -1.921 2 O-C-N 113.927 -5.483 . . . . 0.0 115.486 161.307 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 5.8 m -145.78 9.57 1.17 Allowed 'General case' 0 CA--C 1.579 2.067 0 C-N-CA 114.491 -2.884 . . . . 0.0 111.745 169.57 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 117.53 170.01 15.06 Favored Glycine 0 C--O 1.263 1.959 0 CA-C-N 114.293 -1.321 . . . . 0.0 112.463 -173.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . 0.312 . . -97.2 119.4 63.24 Favored Pre-proline 0 C--N 1.285 -2.217 1 O-C-N 115.506 -4.526 . . . . 0.0 105.54 174.868 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' B' B ' 33' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -58.19 152.73 50.65 Favored 'Trans proline' 0 C--N 1.378 2.099 1 N-CA-C 122.909 4.157 . . . . 0.0 122.909 165.252 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . 0.37 29.5 mt -50.97 128.43 28.32 Favored Pre-proline 0 N--CA 1.479 1.02 0 C-N-CA 125.469 1.507 . . . . 0.0 114.689 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 35' ' ' PRO . . . . . 0.593 ' HD2' HD12 ' B' ' 38' ' ' ILE . 73.1 Cg_exo -64.42 148.05 90.71 Favored 'Trans proline' 0 C--O 1.199 -1.473 0 C-N-CA 122.66 2.24 . . . . 0.0 113.176 175.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -54.3 -32.14 55.75 Favored 'General case' 0 C--O 1.265 1.914 0 CA-C-O 112.135 -3.793 . . . . 0.0 111.789 170.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . 0.311 79.1 mtm-85 -71.48 -37.77 71.27 Favored 'General case' 0 C--N 1.282 -2.368 0 CA-C-N 125.9 3.955 . . . . 0.0 108.035 -175.667 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' ILE . . . . . 0.593 HD12 ' HD2' ' B' ' 35' ' ' PRO . 47.9 mt -78.7 -45.77 25.01 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 C-N-CA 116.969 -1.892 . . . . 0.0 106.737 -179.055 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.99 -35.44 73.23 Favored 'General case' 0 CA--C 1.48 -1.712 0 N-CA-C 116.298 1.962 . . . . 0.0 116.298 178.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . 0.257 73.5 m-20 -58.12 -37.84 75.36 Favored 'General case' 0 C--O 1.278 2.553 0 C-N-CA 115.725 -2.39 . . . . 0.0 114.058 174.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 29.8 mmtm -74.08 -10.77 59.96 Favored 'General case' 0 CA--C 1.597 2.777 0 O-C-N 120.552 -1.342 . . . . 0.0 114.083 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.505 HD22 ' CZ ' ' B' ' 47' ' ' PHE . 81.7 mt -115.52 13.27 16.38 Favored 'General case' 0 CA--C 1.506 -0.74 1 CA-C-O 128.849 4.166 . . . . 0.0 115.111 -172.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 20.2 ttm180 -69.0 96.9 0.81 Allowed 'General case' 0 C--O 1.264 1.859 0 CA-C-N 111.803 -2.453 . . . . 0.0 108.773 -170.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . 0.258 7.5 m-20 68.61 21.71 7.86 Favored 'General case' 0 C--O 1.244 0.776 0 C-N-CA 129.648 3.179 . . . . 0.0 116.106 178.427 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 19.4 mmtp -67.21 139.13 57.38 Favored 'General case' 0 C--O 1.189 -2.124 0 CA-C-O 117.44 -1.267 . . . . 0.0 114.17 165.185 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 34.1 tp10 -74.91 128.45 35.59 Favored 'General case' 0 C--O 1.284 2.898 0 O-C-N 128.991 3.932 . . . . 0.0 110.793 174.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' PHE . . . . . 0.505 ' CZ ' HD22 ' B' ' 42' ' ' LEU . 93.8 m-85 -117.75 154.0 32.46 Favored 'General case' 0 N--CA 1.412 -2.337 0 CA-C-O 124.617 2.151 . . . . 0.0 108.482 167.753 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -94.5 -20.52 19.59 Favored 'General case' 0 C--O 1.276 2.495 0 N-CA-C 117.73 2.493 . . . . 0.0 117.73 -176.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 91.0 p -158.43 168.01 28.13 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 107.127 -1.435 . . . . 0.0 107.127 169.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' PHE . . . . . 0.411 ' O ' ' HB3' ' B' ' 53' ' ' PHE . 29.0 t80 -59.48 -42.05 91.21 Favored 'General case' 0 C--O 1.272 2.263 0 CA-C-O 113.817 -2.992 . . . . 0.0 113.202 166.079 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -57.27 -44.54 84.03 Favored 'General case' 0 CA--C 1.584 2.279 0 CA-C-N 122.54 2.427 . . . . 0.0 110.017 -178.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.588 ' HA ' ' HD3' ' B' ' 55' ' ' LYS . 33.3 t70 -56.04 -33.89 65.37 Favored 'General case' 0 N--CA 1.431 -1.406 0 N-CA-C 116.724 2.12 . . . . 0.0 116.724 173.21 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 53' ' ' PHE . . . . . 0.411 ' HB3' ' O ' ' B' ' 50' ' ' PHE . 88.8 t80 -63.66 -52.3 61.32 Favored 'General case' 0 C--O 1.266 1.966 0 O-C-N 126.72 2.513 . . . . 0.0 110.458 165.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.48 HH12 ' HA ' ' B' ' 83' ' ' TYR . 35.4 ttp85 -58.39 -44.37 88.94 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 125.38 1.675 . . . . 0.0 112.872 -174.086 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.588 ' HD3' ' HA ' ' B' ' 52' ' ' ASP . 35.5 mtpt -44.45 -65.51 0.51 Allowed 'General case' 0 C--O 1.28 2.689 0 C-N-CA 128.171 2.588 . . . . 0.0 107.893 170.788 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -49.99 -59.11 4.19 Favored 'General case' 0 C--O 1.21 -0.996 0 C-N-CA 127.48 2.312 . . . . 0.0 116.285 178.294 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 84.6 t -40.41 -61.78 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.17 0 N-CA-C 115.087 1.514 . . . . 0.0 115.087 170.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' TRP . . . . . 0.429 ' O ' ' HB ' ' B' ' 61' ' ' VAL . 3.2 m95 -53.05 -33.37 51.62 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 119.539 3.163 . . . . 0.0 119.539 172.017 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 59' ' ' GLU . . . . . 0.553 ' HG3' ' O ' ' B' ' 55' ' ' LYS . 40.1 mt-10 -76.05 -39.29 55.86 Favored 'General case' 0 C--O 1.276 2.462 0 CA-C-N 113.901 -1.499 . . . . 0.0 109.994 175.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 60' ' ' GLU . . . . . 0.464 ' HB2' HG23 ' B' ' 38' ' ' ILE . 45.2 mm-40 -63.33 -31.59 72.78 Favored 'General case' 0 C--O 1.174 -2.918 0 O-C-N 118.982 -2.324 . . . . 0.0 111.819 178.063 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 61' ' ' VAL . . . . . 0.429 ' HB ' ' O ' ' B' ' 58' ' ' TRP . 46.7 t -45.97 -49.1 5.09 Favored 'Isoleucine or valine' 0 C--N 1.353 0.726 0 C-N-CA 124.763 1.225 . . . . 0.0 111.39 162.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 1.5 p -77.69 -24.9 49.14 Favored 'General case' 0 N--CA 1.516 2.864 1 O-C-N 116.261 -4.024 . . . . 0.0 113.336 178.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 23.7 mtmt -85.2 -17.89 35.72 Favored 'General case' 0 C--O 1.272 2.243 0 N-CA-C 116.363 1.986 . . . . 0.0 116.363 176.125 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' ASP . . . . . 0.431 ' HA ' ' HD3' ' B' ' 65' ' ' PRO . 21.0 t70 -90.57 119.13 69.11 Favored Pre-proline 0 N--CA 1.415 -2.198 0 O-C-N 119.566 -1.959 . . . . 0.0 108.725 170.262 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 65' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' B' ' 64' ' ' ASP . 97.7 Cg_exo -65.84 -14.7 45.85 Favored 'Trans proline' 0 CA--C 1.573 2.457 0 C-N-CA 121.491 1.461 . . . . 0.0 111.878 -169.736 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -96.23 -34.14 11.74 Favored 'General case' 0 C--O 1.294 3.399 0 O-C-N 119.509 -1.995 . . . . 0.0 106.769 -173.025 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 19.1 mt -74.7 -41.47 60.14 Favored 'General case' 0 C--O 1.196 -1.711 0 C-N-CA 126.948 2.099 . . . . 0.0 114.321 -169.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 17.6 p -88.04 3.94 47.03 Favored 'General case' 0 N--CA 1.494 1.766 0 C-N-CA 115.824 -2.35 . . . . 0.0 117.124 173.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -52.43 -39.5 61.08 Favored 'General case' 0 CA--C 1.572 1.791 0 N-CA-C 117.356 2.354 . . . . 0.0 117.356 -173.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' ASN . . . . . 0.546 HD21 ' HE2' ' B' ' 21' ' ' LYS . 20.8 m-80 -82.34 -0.4 45.6 Favored 'General case' 0 C--N 1.391 2.393 0 CA-C-N 114.698 -1.137 . . . . 0.0 111.426 -176.376 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 73.2 mt -92.93 152.66 19.23 Favored 'General case' 0 C--N 1.278 -2.538 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 -176.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 36.2 p-10 -97.45 157.17 35.26 Favored Pre-proline 0 C--O 1.268 2.041 0 O-C-N 128.771 3.794 . . . . 0.0 115.037 171.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -24.08 -48.84 0.05 OUTLIER 'Trans proline' 0 C--N 1.394 2.945 1 C-N-CA 126.849 5.033 . . . . 0.0 120.179 177.314 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 34.3 t -66.59 -42.58 86.72 Favored 'General case' 0 C--N 1.285 -2.222 0 N-CA-C 114.92 1.452 . . . . 0.0 114.92 177.072 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 75' ' ' ASN . . . . . . . . . . . . . 61.3 m-20 -74.69 -37.56 62.6 Favored 'General case' 0 N--CA 1.409 -2.488 0 C-N-CA 119.131 -1.027 . . . . 0.0 111.213 171.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 39.4 mttp -61.15 -38.38 86.23 Favored 'General case' 0 C--O 1.26 1.657 0 N-CA-C 115.636 1.717 . . . . 0.0 115.636 173.109 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 17.5 m -64.68 -40.24 95.05 Favored 'General case' 0 C--O 1.202 -1.421 0 CA-C-N 123.265 2.757 . . . . 0.0 110.205 172.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 15.9 m -51.3 -55.86 16.1 Favored 'General case' 0 C--N 1.367 1.345 0 N-CA-C 119.755 3.243 . . . . 0.0 119.755 176.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 79' ' ' VAL . . . . . 0.504 HG13 ' HD3' ' B' ' 85' ' ' PRO . 0.2 OUTLIER -58.28 -42.46 83.74 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.815 0 CA-C-N 111.089 -2.778 . . . . 0.0 113.247 177.274 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 90.7 p -77.41 -4.85 47.43 Favored 'General case' 0 C--N 1.389 2.326 0 CA-C-O 116.85 -1.548 . . . . 0.0 113.859 -179.25 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 39.3 mtmt -100.46 13.15 35.52 Favored 'General case' 0 CA--C 1.56 1.338 0 C-N-CA 129.881 3.272 . . . . 0.0 115.852 162.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 78.77 9.02 87.45 Favored Glycine 0 CA--C 1.558 2.748 0 CA-C-N 114.204 -1.362 . . . . 0.0 114.635 174.124 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 83' ' ' TYR . . . . . 0.48 ' HA ' HH12 ' B' ' 54' ' ' ARG . 38.2 m-85 -106.5 148.98 27.56 Favored 'General case' 0 C--O 1.269 2.098 0 N-CA-C 120.233 3.42 . . . . 0.0 120.233 177.242 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 84' ' ' SER . . . . . 0.528 ' HB2' ' HB ' ' B' ' 98' ' ' VAL . 20.2 m -64.28 124.84 86.87 Favored Pre-proline 0 CA--C 1.477 -1.864 0 CA-C-O 116.464 -1.732 . . . . 0.0 111.214 -170.679 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 85' ' ' PRO . . . . . 0.504 ' HD3' HG13 ' B' ' 79' ' ' VAL . 10.0 Cg_endo -44.72 171.07 0.02 OUTLIER 'Trans proline' 0 C--N 1.31 -1.495 1 C-N-CA 126.343 4.696 . . . . 0.0 116.379 162.326 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -113.33 -178.19 3.32 Favored 'General case' 0 C--O 1.188 -2.166 0 O-C-N 118.813 -2.43 . . . . 0.0 107.713 -171.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 87' ' ' THR . . . . . 0.482 ' HB ' ' HB2' ' B' ' 91' ' ' GLN . 6.3 p -118.03 159.9 41.11 Favored Pre-proline 0 C--O 1.184 -2.392 0 N-CA-C 115.887 1.81 . . . . 0.0 115.887 -176.289 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 88' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_exo -61.87 169.17 7.64 Favored 'Trans proline' 0 CA--C 1.472 -2.624 1 C-N-CA 127.846 5.698 . . . . 0.0 114.881 172.574 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 89' ' ' LYS . . . . . 0.426 ' HD3' ' O ' ' A' ' 48' ' ' SER . 2.6 tptt -73.11 -8.56 56.32 Favored 'General case' 0 C--O 1.27 2.157 0 N-CA-C 118.56 2.8 . . . . 0.0 118.56 -175.118 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 20.9 p-10 -86.86 -0.91 57.3 Favored 'General case' 0 C--O 1.176 -2.814 0 CA-C-N 112.492 -2.14 . . . . 0.0 115.754 164.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 91' ' ' GLN . . . . . 0.482 ' HB2' ' HB ' ' B' ' 87' ' ' THR . 20.3 mm-40 -128.39 -18.06 4.09 Favored 'General case' 0 C--O 1.292 3.331 0 C-N-CA 114.521 -2.872 . . . . 0.0 111.549 -174.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 92' ' ' GLN . . . . . 0.498 HE22 ' HB2' ' A' ' 50' ' ' SER . 62.1 mt-30 -80.17 121.4 25.53 Favored 'General case' 0 C--N 1.385 2.145 0 CA-C-N 123.847 3.022 . . . . 0.0 108.261 178.42 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 81.0 t -105.05 76.71 0.46 Allowed 'Isoleucine or valine' 0 C--O 1.268 2.064 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 -170.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . 65.89 -74.47 0.12 Allowed Glycine 1 CA--C 1.589 4.675 0 O-C-N 124.899 1.374 . . . . 0.0 115.802 173.724 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -89.71 -42.93 5.28 Favored Glycine 0 C--N 1.353 1.511 0 C-N-CA 119.799 -1.191 . . . . 0.0 111.478 175.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 96' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' B' ' 96' ' ' ARG . 2.0 mtp180 -81.47 102.37 10.5 Favored 'General case' 0 CA--C 1.483 -1.621 0 C-N-CA 125.2 1.4 . . . . 0.0 107.975 -175.17 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 56.6 mttp -109.39 -26.28 10.09 Favored 'General case' 0 C--O 1.175 -2.845 0 O-C-N 125.187 1.554 . . . . 0.0 112.938 178.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 98' ' ' VAL . . . . . 0.528 ' HB ' ' HB2' ' B' ' 84' ' ' SER . 19.2 m -91.51 154.74 3.13 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.06 0 CA-C-N 124.98 3.536 . . . . 0.0 115.242 -175.531 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 99' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -58.62 132.32 53.45 Favored 'General case' 0 C--O 1.186 -2.247 0 CA-C-O 125.552 2.596 . . . . 0.0 109.61 171.11 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -121.26 150.95 40.61 Favored 'General case' 0 C--N 1.379 1.88 0 O-C-N 117.795 -3.066 . . . . 0.0 112.604 -179.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 101' ' ' LEU . . . . . 0.485 ' HB3' ' CG2' ' B' ' 119' ' ' ILE . 27.7 mt -96.31 127.07 41.97 Favored 'General case' 0 C--O 1.171 -3.035 0 O-C-N 116.397 -3.939 . . . . 0.0 110.28 173.549 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 102' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -132.0 175.03 9.57 Favored 'General case' 0 C--O 1.301 3.792 1 O-C-N 129.353 4.158 . . . . 0.0 109.47 -169.273 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 25.7 m-70 -134.96 148.46 50.02 Favored 'General case' 0 C--O 1.253 1.285 0 CA-C-N 124.885 3.493 . . . . 0.0 114.208 -167.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -76.91 -37.53 55.22 Favored 'General case' 0 C--O 1.265 1.873 0 O-C-N 126.509 2.381 . . . . 0.0 108.057 -174.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 105' ' ' LYS . . . . . 0.497 ' HB3' ' HE2' ' B' ' 105' ' ' LYS . 30.6 mtpt -98.61 136.56 20.73 Favored Pre-proline 0 C--O 1.272 2.271 0 O-C-N 117.368 -3.333 . . . . 0.0 113.839 173.364 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 106' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -61.17 132.5 41.87 Favored 'Trans proline' 0 N--CA 1.484 0.924 0 C-N-CA 123.461 2.774 . . . . 0.0 107.914 174.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 107' ' ' ILE . . . . . . . . . . . . . 28.4 mt -46.1 -56.03 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.416 -2.142 0 O-C-N 118.814 -2.429 . . . . 0.0 112.113 178.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 1.7 p -54.88 -12.88 0.9 Allowed 'General case' 1 C--O 1.32 4.778 0 CA-C-O 116.119 -1.896 . . . . 0.0 114.541 177.011 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -117.82 29.45 7.82 Favored 'General case' 0 C--N 1.296 -1.739 2 CA-C-N 128.472 5.124 . . . . 0.0 114.373 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 86.17 48.59 4.54 Favored Glycine 0 C--O 1.248 1.008 0 C-N-CA 127.06 2.267 . . . . 0.0 114.558 -176.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . -87.81 111.42 3.72 Favored Glycine 0 C--N 1.379 2.923 0 O-C-N 116.778 -3.778 . . . . 0.0 116.057 176.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -68.3 104.35 1.83 Allowed 'General case' 0 N--CA 1.414 -2.23 0 CA-C-N 122.369 3.085 . . . . 0.0 115.616 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 33.2 t -59.74 -68.02 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.49 -1.335 0 CA-C-O 115.722 -2.085 . . . . 0.0 116.415 179.084 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 114' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -75.3 56.98 0.86 Allowed 'General case' 0 N--CA 1.44 -0.941 0 CA-C-N 121.045 1.748 . . . . 0.0 110.836 172.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -139.61 104.65 4.98 Favored 'General case' 0 C--O 1.267 1.986 0 O-C-N 118.03 -2.919 . . . . 0.0 108.51 168.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 116' ' ' MET . . . . . 0.861 ' HA ' HD12 ' B' ' 119' ' ' ILE . 3.4 mtm -58.4 -25.73 62.44 Favored 'General case' 0 N--CA 1.504 2.274 0 N-CA-C 118.438 2.755 . . . . 0.0 118.438 -165.51 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.98 -15.28 29.8 Favored 'General case' 0 N--CA 1.511 2.613 0 C-N-CA 125.114 1.366 . . . . 0.0 112.933 174.597 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -104.79 -5.24 21.4 Favored 'General case' 0 CA--C 1.57 1.74 0 CA-C-O 122.442 1.115 . . . . 0.0 111.736 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 119' ' ' ILE . . . . . 0.861 HD12 ' HA ' ' B' ' 116' ' ' MET . 15.5 mt -106.18 118.0 52.99 Favored 'Isoleucine or valine' 0 C--N 1.4 2.798 0 O-C-N 119.003 -2.311 . . . . 0.0 106.94 -167.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 24.7 mmm-85 -108.01 131.52 54.48 Favored 'General case' 1 C--O 1.144 -4.45 0 CA-C-N 108.889 -3.778 . . . . 0.0 110.171 -176.023 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 121' ' ' VAL . . . . . 0.536 HG21 ' HZ3' ' B' ' 22' ' ' TRP 0.356 6.7 t -73.81 123.43 28.99 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.148 0 CA-C-N 111.275 -2.693 . . . . 0.0 105.799 170.587 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 6.3 p -125.62 146.13 49.84 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 125.001 1.438 . . . . 0.0 113.579 175.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 32.0 p -73.04 158.05 87.65 Favored Pre-proline 0 C--O 1.274 2.387 0 O-C-N 120.299 -1.501 . . . . 0.0 110.436 160.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . 0.278 0.0 OUTLIER -42.89 -41.7 8.88 Favored 'Trans proline' 0 C--N 1.359 1.085 1 C-N-CA 126.523 4.815 . . . . 0.0 118.058 170.143 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 24.1 tptp -65.48 -34.16 77.61 Favored 'General case' 0 N--CA 1.435 -1.2 0 O-C-N 127.037 2.711 . . . . 0.0 112.389 179.169 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 126' ' ' ARG . . . . . 0.474 ' HA ' ' HD2' ' B' ' 126' ' ' ARG . 12.3 tpt180 -76.28 -40.6 51.32 Favored 'General case' 0 C--O 1.246 0.87 0 O-C-N 125.832 1.958 . . . . 0.0 113.885 173.351 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 127' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -60.39 -48.57 81.2 Favored 'General case' 0 C--O 1.251 1.176 0 CA-C-N 122.113 2.233 . . . . 0.0 109.412 -178.286 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 128' ' ' ILE . . . . . . . . . . . . 0.279 39.8 mt -53.52 -46.31 59.6 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.911 0 C-N-CA 127.353 2.261 . . . . 0.0 114.181 171.077 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -50.69 -57.8 7.4 Favored 'General case' 0 N--CA 1.512 2.66 0 O-C-N 117.074 -3.516 . . . . 0.0 113.918 171.347 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 40.1 mt -77.8 -31.98 17.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 1 O-C-N 115.058 -4.776 . . . . 0.0 112.249 -173.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 131' ' ' HIS . . . . . . . . . . . . . 58.5 m-70 -92.57 21.16 5.63 Favored 'General case' 0 N--CA 1.432 -1.33 0 O-C-N 119.667 -1.896 . . . . 0.0 115.911 171.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 82.0 mmt-85 55.73 55.18 7.38 Favored 'General case' 0 C--N 1.36 1.037 0 C-N-CA 129.461 3.104 . . . . 0.0 111.893 156.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 133' ' ' GLY . . . . . . . . . . . . . . . 104.96 -52.71 0.71 Allowed Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 116.691 -2.671 . . . . 0.0 113.759 175.04 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 35.7 mttm . . . . . 0 N--CA 1.481 1.111 0 C-N-CA 118.813 -1.155 . . . . 0.0 110.063 175.513 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.1 mmt . . . . . 0 C--O 1.24 0.553 0 CA-C-O 116.061 -1.923 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -82.5 55.32 2.9 Favored 'General case' 0 C--N 1.272 -2.786 0 CA-C-O 127.158 3.361 . . . . 0.0 119.767 -178.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 90.0 mt -104.77 151.77 23.36 Favored 'General case' 0 C--O 1.263 1.784 0 CA-C-N 112.288 -2.233 . . . . 0.0 109.335 -175.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 18.7 mmtt -91.29 152.27 20.55 Favored 'General case' 0 C--N 1.363 1.192 0 CA-C-N 109.83 -3.35 . . . . 0.0 107.225 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 -78.68 -25.08 44.78 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 111.396 -2.638 . . . . 0.0 117.391 -170.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.568 ' HA ' ' HG3' ' A' ' 43' ' ' MET . 67.7 m -177.61 178.76 0.98 Allowed 'General case' 0 C--N 1.294 -1.843 0 O-C-N 127.093 2.745 . . . . 0.0 107.538 179.021 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.6 tt -54.92 -40.98 55.56 Favored 'Isoleucine or valine' 0 C--N 1.356 0.881 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 168.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.8 m -60.56 14.11 0.01 OUTLIER 'General case' 0 N--CA 1.538 3.937 0 C-N-CA 128.321 2.648 . . . . 0.0 112.509 179.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -126.66 17.41 7.47 Favored 'General case' 0 CA--C 1.562 1.427 1 O-C-N 116.145 -4.097 . . . . 0.0 117.53 157.151 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -101.26 142.41 32.73 Favored 'General case' 0 C--O 1.269 2.094 0 N-CA-C 100.709 -3.812 . . . . 0.0 100.709 166.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.6 p -86.76 159.65 19.07 Favored 'General case' 0 CA--C 1.555 1.166 0 N-CA-C 102.944 -2.984 . . . . 0.0 102.944 153.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.424 ' HG2' ' H ' ' A' ' 12' ' ' GLU . 7.8 pt-20 -57.58 -34.13 68.9 Favored 'General case' 0 CA--C 1.46 -2.496 0 O-C-N 118.335 -2.728 . . . . 0.0 117.436 -170.128 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.83 -33.83 72.84 Favored 'General case' 0 C--O 1.209 -1.078 0 O-C-N 125.551 1.782 . . . . 0.0 111.759 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -64.79 -48.51 74.22 Favored 'General case' 0 C--N 1.37 1.469 0 O-C-N 120.234 -1.541 . . . . 0.0 112.46 168.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.475 ' HE2' HG21 ' A' ' 71' ' ' VAL . 12.3 t80 -58.78 -37.33 76.05 Favored 'General case' 0 C--N 1.381 1.973 0 C-N-CA 125.859 1.664 . . . . 0.0 112.719 176.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.513 ' HA ' HG21 ' A' ' 68' ' ' VAL . 2.2 tt -58.99 -42.84 90.99 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-O 125.095 2.379 . . . . 0.0 113.046 172.667 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -65.02 -47.77 76.26 Favored 'General case' 0 C--N 1.369 1.429 0 CA-C-N 111.774 -2.466 . . . . 0.0 107.443 178.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.1 tp -59.6 -41.55 90.56 Favored 'General case' 0 C--O 1.255 1.345 0 O-C-N 124.016 0.822 . . . . 0.0 110.231 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 47.6 t -70.42 -43.53 78.07 Favored 'Isoleucine or valine' 0 N--CA 1.525 3.278 0 CA-C-O 114.546 -2.645 . . . . 0.0 111.391 178.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 27.0 m -51.94 -48.56 64.22 Favored 'General case' 0 C--N 1.284 -2.248 0 CA-C-N 122.777 2.535 . . . . 0.0 109.967 175.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.3 m -52.09 -47.15 65.36 Favored 'General case' 0 C--O 1.263 1.805 0 C-N-CA 126.162 1.785 . . . . 0.0 113.284 175.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 43.0 mt -64.59 -50.11 77.32 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.646 1 O-C-N 129.638 4.336 . . . . 0.0 107.587 176.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 4.9 m -79.7 -7.27 58.49 Favored 'General case' 0 N--CA 1.436 -1.155 0 CA-C-N 122.05 2.204 . . . . 0.0 114.116 -165.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . 0.294 19.5 m-80 -111.03 0.58 17.0 Favored 'General case' 0 N--CA 1.481 1.096 0 O-C-N 126.491 2.369 . . . . 0.0 106.701 173.002 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 47.97 58.87 4.64 Favored 'General case' 0 C--N 1.392 2.437 0 CA-C-O 125.71 2.671 . . . . 0.0 113.298 -168.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . 0.311 27.8 t70 -83.63 54.62 2.92 Favored 'General case' 0 N--CA 1.415 -2.194 0 CA-C-N 110.197 -3.183 . . . . 0.0 116.5 -178.132 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.1 p -154.61 -172.63 4.27 Favored 'General case' 0 N--CA 1.41 -2.46 0 CA-C-O 116.403 -1.761 . . . . 0.0 107.59 -172.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.9 t -107.07 -27.98 10.28 Favored 'General case' 0 C--N 1.393 2.494 0 CA-C-N 124.783 3.447 . . . . 0.0 118.978 -176.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.7 m -129.7 147.03 51.44 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 119.95 -1.719 . . . . 0.0 111.764 173.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -40.78 -43.12 1.93 Allowed 'General case' 0 C--N 1.273 -2.758 2 O-C-N 130.885 5.116 . . . . 0.0 119.566 159.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -74.15 -10.39 59.56 Favored 'General case' 0 C--O 1.185 -2.315 0 CA-C-O 128.218 3.866 . . . . 0.0 111.399 -175.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -74.04 -61.38 1.87 Allowed 'General case' 0 C--O 1.264 1.82 1 O-C-N 112.835 -6.165 . . . . 0.0 108.444 162.332 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 40.9 tp -60.31 -30.56 69.57 Favored 'General case' 0 C--O 1.18 -2.559 0 CA-C-O 125.237 2.446 . . . . 0.0 114.04 -167.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.5 p -63.93 -32.77 58.43 Favored 'Isoleucine or valine' 1 N--CA 1.551 4.612 0 O-C-N 120.401 -1.437 . . . . 0.0 114.07 169.333 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 70.4 mttt -84.19 -32.76 24.39 Favored 'General case' 0 C--O 1.287 3.03 0 O-C-N 126.126 2.141 . . . . 0.0 110.193 175.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -62.6 -40.28 96.44 Favored 'General case' 1 C--O 1.152 -4.04 0 CA-C-N 125.869 3.94 . . . . 0.0 119.379 171.112 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . 0.294 2.8 p -72.07 -35.89 55.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 CA-C-N 112.102 -2.317 . . . . 0.0 108.783 174.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 53.1 m -65.81 -35.93 82.07 Favored 'General case' 0 CA--C 1.462 -2.433 0 CA-C-N 124.639 3.381 . . . . 0.0 108.821 175.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -65.02 -52.29 56.82 Favored 'General case' 0 C--N 1.379 1.873 0 CA-C-O 116.864 -1.541 . . . . 0.0 109.04 176.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -40.96 -50.96 3.29 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 124.908 1.38 . . . . 0.0 112.021 173.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.784 ' HG3' ' HA3' ' A' ' 49' ' ' GLY . 0.2 OUTLIER -69.74 -46.41 65.96 Favored 'General case' 0 CA--C 1.465 -2.314 0 O-C-N 118.672 -2.518 . . . . 0.0 116.525 -176.722 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -76.0 -15.19 60.19 Favored 'General case' 0 CA--C 1.573 1.833 0 CA-C-O 117.796 -1.097 . . . . 0.0 112.556 -172.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.568 ' HG3' ' HA ' ' A' ' 6' ' ' SER . 0.0 OUTLIER -85.8 -35.74 20.5 Favored 'General case' 0 N--CA 1.4 -2.973 0 N-CA-C 115.729 1.752 . . . . 0.0 115.729 174.316 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . 0.348 5.3 t -95.58 -7.36 38.02 Favored 'General case' 0 CA--C 1.564 1.511 0 N-CA-C 118.558 2.799 . . . . 0.0 118.558 -178.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 81.05 -29.64 0.12 Allowed 'General case' 0 C--O 1.193 -1.869 0 C-N-CA 126.195 1.798 . . . . 0.0 115.171 170.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -43.23 116.78 2.17 Favored Pre-proline 0 CA--C 1.507 -0.702 0 N-CA-C 120.821 3.637 . . . . 0.0 120.821 175.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -58.42 -42.78 51.96 Favored 'Trans proline' 0 N--CA 1.509 2.413 0 N-CA-C 121.996 3.806 . . . . 0.0 121.996 -165.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.426 ' O ' ' HD3' ' B' ' 89' ' ' LYS . 4.5 p -70.64 -34.64 72.29 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 121.653 3.945 . . . . 0.0 121.653 169.3 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.784 ' HA3' ' HG3' ' A' ' 41' ' ' GLU . . . 44.97 -99.85 0.02 OUTLIER Glycine 0 N--CA 1.516 3.999 0 O-C-N 127.894 3.246 . . . . 0.0 115.362 167.515 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.498 ' HB2' HE22 ' B' ' 92' ' ' GLN . 0.1 OUTLIER -51.78 -48.8 63.64 Favored 'General case' 0 C--N 1.384 2.067 0 O-C-N 127.135 2.315 . . . . 0.0 115.671 -179.605 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -66.27 -14.14 61.53 Favored 'General case' 0 N--CA 1.407 -2.587 0 CA-C-N 119.768 1.167 . . . . 0.0 111.196 -172.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 20.2 tp -70.71 -42.28 70.82 Favored 'General case' 0 C--N 1.399 2.738 1 O-C-N 114.904 -4.873 . . . . 0.0 107.36 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.467 HG12 HD13 ' A' ' 67' ' ' ILE . 86.3 mt -71.56 -50.62 38.47 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.158 0 O-C-N 127.62 3.075 . . . . 0.0 108.361 179.422 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -85.69 -23.18 27.52 Favored 'General case' 0 C--O 1.265 1.891 0 N-CA-C 121.633 3.938 . . . . 0.0 121.633 -170.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.542 ' HA ' ' HD2' ' A' ' 56' ' ' PRO 0.369 90.0 m-85 -139.06 91.67 11.28 Favored Pre-proline 0 N--CA 1.51 2.537 0 CA-C-N 122.551 2.432 . . . . 0.0 107.749 173.172 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.542 ' HD2' ' HA ' ' A' ' 55' ' ' TYR . 23.2 Cg_endo -54.42 137.38 72.07 Favored 'Trans proline' 0 C--O 1.279 2.572 2 C-N-CA 130.907 7.738 . . . . 0.0 112.7 179.439 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -88.11 138.56 31.34 Favored 'General case' 0 C--O 1.255 1.38 1 CA-C-N 105.788 -5.187 . . . . 0.0 106.434 173.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -75.79 118.33 18.48 Favored 'General case' 0 CA--C 1.501 -0.905 0 CA-C-N 110.168 -3.196 . . . . 0.0 108.064 -171.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 121.19 -26.55 6.68 Favored Glycine 0 C--N 1.38 3.009 0 C-N-CA 116.824 -2.608 . . . . 0.0 110.756 -170.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -90.77 148.06 22.8 Favored 'General case' 0 C--O 1.272 2.249 0 O-C-N 124.688 0.876 . . . . 0.0 111.977 172.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -88.84 108.41 19.51 Favored 'General case' 0 N--CA 1.518 2.935 0 O-C-N 118.622 -2.548 . . . . 0.0 110.905 170.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -71.97 55.19 0.29 Allowed 'General case' 0 C--N 1.375 1.692 0 N-CA-C 119.909 3.3 . . . . 0.0 119.909 -177.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 37.0 p -123.34 151.11 62.09 Favored Pre-proline 0 N--CA 1.526 3.357 1 O-C-N 113.141 -5.975 . . . . 0.0 108.513 174.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -35.11 -52.36 0.75 Allowed 'Trans proline' 0 N--CA 1.499 1.819 0 C-N-CA 124.277 3.318 . . . . 0.0 113.565 176.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 61.3 m -55.27 -47.71 75.07 Favored 'General case' 0 C--O 1.261 1.678 0 O-C-N 119.513 -1.992 . . . . 0.0 116.188 177.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.62 -44.02 83.49 Favored Glycine 0 N--CA 1.425 -2.061 0 O-C-N 127.163 2.789 . . . . 0.0 109.578 -178.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.467 HD13 HG12 ' A' ' 53' ' ' ILE . 90.4 mt -56.76 -43.08 78.83 Favored 'Isoleucine or valine' 0 C--O 1.169 -3.181 0 CA-C-N 120.005 1.902 . . . . 0.0 107.147 177.015 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.513 HG21 ' HA ' ' A' ' 16' ' ' LEU 0.252 2.9 t -69.16 -32.42 53.91 Favored 'Isoleucine or valine' 0 N--CA 1.534 3.742 0 O-C-N 119.25 -2.156 . . . . 0.0 111.778 -178.204 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -86.15 0.73 52.9 Favored 'General case' 1 N--CA 1.541 4.113 0 CA-C-N 119.528 1.058 . . . . 0.0 109.557 178.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 53.9 m -87.55 -55.55 3.74 Favored 'General case' 0 N--CA 1.419 -2.023 0 N-CA-C 106.097 -1.816 . . . . 0.0 106.097 163.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.475 HG21 ' HE2' ' A' ' 15' ' ' PHE . 2.1 t -47.74 -42.34 9.13 Favored 'Isoleucine or valine' 0 C--O 1.262 1.754 0 CA-C-O 115.998 -1.953 . . . . 0.0 114.565 174.461 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -52.19 -48.75 64.86 Favored 'General case' 0 N--CA 1.483 1.212 0 O-C-N 127.583 3.052 . . . . 0.0 114.23 174.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -70.91 -44.51 66.08 Favored 'General case' 0 C--O 1.199 -1.591 0 C-N-CA 124.848 1.259 . . . . 0.0 114.064 -176.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 32.3 t90 -48.33 -61.18 2.13 Favored 'General case' 0 N--CA 1.529 3.483 0 O-C-N 126.233 2.208 . . . . 0.0 110.406 173.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.551 HH21 ' N ' ' A' ' 82' ' ' GLY . 20.7 mmm180 -49.25 -51.91 30.51 Favored 'General case' 0 C--O 1.268 2.032 0 C-N-CA 124.939 1.296 . . . . 0.0 112.639 177.095 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -75.44 -17.09 60.25 Favored 'General case' 0 C--N 1.294 -1.845 0 O-C-N 118.317 -2.739 . . . . 0.0 115.351 -176.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -80.02 -42.91 22.87 Favored 'General case' 0 CA--C 1.58 2.11 0 CA-C-O 125.045 2.355 . . . . 0.0 114.589 175.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -82.81 -20.76 35.12 Favored 'General case' 0 CA--C 1.483 -1.618 0 CA-C-N 108.601 -3.908 . . . . 0.0 111.748 178.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 95.09 35.77 5.68 Favored Glycine 0 N--CA 1.413 -2.843 0 O-C-N 118.758 -2.464 . . . . 0.0 110.052 170.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt -87.8 -179.95 6.36 Favored 'General case' 0 N--CA 1.522 3.165 0 CA-C-O 115.295 -2.288 . . . . 0.0 116.247 -176.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.0 p -66.31 -20.38 66.08 Favored 'General case' 0 N--CA 1.436 -1.127 0 CA-C-N 121.801 2.091 . . . . 0.0 112.968 -171.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.551 ' N ' HH21 ' A' ' 75' ' ' ARG . . . 83.4 -164.74 42.09 Favored Glycine 0 CA--C 1.567 3.306 0 O-C-N 118.298 -2.751 . . . . 0.0 111.204 177.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -84.41 -155.71 0.21 Allowed 'General case' 0 N--CA 1.498 1.966 1 O-C-N 116.293 -4.063 . . . . 0.0 113.264 174.217 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 22.5 tttp -79.26 173.44 12.57 Favored 'General case' 0 C--O 1.274 2.388 0 O-C-N 117.35 -3.344 . . . . 0.0 106.28 165.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -57.65 105.53 0.26 Allowed 'General case' 0 CA--C 1.559 1.303 0 CA-C-O 124.498 2.094 . . . . 0.0 113.267 163.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.369 2.37 0 CA-C-O 114.331 -3.483 . . . . 0.0 118.429 178.544 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 3.0 ttt . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 103.645 -2.724 . . . . 0.0 103.645 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -61.25 132.46 53.69 Favored 'General case' 0 CA--C 1.487 -1.453 0 N-CA-C 106.215 -1.772 . . . . 0.0 106.215 171.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 22.0 t -62.25 142.74 57.55 Favored 'General case' 0 C--O 1.299 3.688 0 C-N-CA 126.203 1.801 . . . . 0.0 111.843 175.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 18.7 ptmt -65.59 9.78 0.11 Allowed 'General case' 0 N--CA 1.522 3.148 0 CA-C-N 112.53 -2.123 . . . . 0.0 112.945 -162.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 5.0 ptm85 -79.3 -15.77 57.44 Favored 'General case' 0 C--O 1.175 -2.851 0 O-C-N 117.441 -3.287 . . . . 0.0 113.511 170.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -114.69 82.98 1.82 Allowed 'General case' 0 C--O 1.25 1.102 0 O-C-N 118.754 -2.466 . . . . 0.0 108.91 171.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 5.1 ttpt -171.04 156.47 4.73 Favored Pre-proline 0 CA--C 1.559 1.289 1 CA-C-N 108.008 -4.178 . . . . 0.0 107.388 -179.319 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -76.08 149.48 32.5 Favored 'Trans proline' 0 C--O 1.279 2.564 1 C-N-CA 127.706 5.604 . . . . 0.0 115.378 -177.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -175.05 178.11 46.87 Favored Glycine 1 N--CA 1.522 4.394 0 CA-C-O 124.954 2.419 . . . . 0.0 113.428 -172.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -106.33 128.64 54.15 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 119.316 -2.285 . . . . 0.0 112.139 -179.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . 0.284 . . -71.74 123.93 23.68 Favored 'General case' 0 C--O 1.189 -2.083 0 N-CA-C 116.039 1.866 . . . . 0.0 116.039 176.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . 0.262 69.8 p -120.73 142.25 49.7 Favored 'General case' 0 N--CA 1.512 2.668 2 O-C-N 115.136 -4.728 . . . . 0.0 111.695 179.415 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -179.37 171.55 43.4 Favored Glycine 0 N--CA 1.42 -2.408 0 C-N-CA 116.767 -2.635 . . . . 0.0 108.736 176.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -118.5 -63.39 1.41 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 112.027 -2.086 . . . . 0.0 107.487 168.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.22 151.16 26.33 Favored Glycine 0 N--CA 1.404 -3.44 0 CA-C-N 114.669 -1.15 . . . . 0.0 113.54 172.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.438 ' HA ' ' HD3' ' B' ' 17' ' ' PRO . 53.3 mmtt -84.37 135.59 41.17 Favored Pre-proline 0 C--N 1.318 -0.803 1 N-CA-C 121.896 4.036 . . . . 0.0 121.896 -178.92 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' B' ' 16' ' ' LYS . 77.9 Cg_exo -69.12 81.17 0.67 Allowed 'Trans proline' 0 N--CA 1.493 1.463 0 N-CA-C 118.107 2.31 . . . . 0.0 118.107 174.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.458 HG21 ' HG3' ' B' ' 35' ' ' PRO 0.279 35.4 m -85.31 -179.84 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.41 -2.46 0 O-C-N 125.585 1.803 . . . . 0.0 113.944 -177.046 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -129.05 166.27 21.54 Favored Glycine 0 N--CA 1.425 -2.036 0 CA-C-N 113.437 -1.71 . . . . 0.0 110.638 172.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . 0.319 1.0 OUTLIER -57.32 -16.99 10.13 Favored 'General case' 0 C--O 1.276 2.45 0 N-CA-C 120.634 3.568 . . . . 0.0 120.634 -175.355 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.546 ' HE2' HD21 ' B' ' 70' ' ' ASN . 48.0 mmtt -88.7 13.6 11.97 Favored 'General case' 0 N--CA 1.405 -2.683 0 N-CA-C 116.21 1.93 . . . . 0.0 116.21 177.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' TRP . . . . . 0.536 ' HZ3' HG21 ' B' ' 121' ' ' VAL . 21.8 p-90 -51.51 -38.65 55.11 Favored 'General case' 0 C--O 1.19 -2.033 0 C-N-CA 127.03 2.132 . . . . 0.0 112.952 -174.059 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 20.0 mt -63.64 -31.84 73.13 Favored 'General case' 0 N--CA 1.512 2.646 0 CA-C-O 115.835 -2.031 . . . . 0.0 109.726 -177.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -62.23 -17.3 57.91 Favored 'General case' 0 C--O 1.252 1.218 1 CA-C-N 126.635 4.289 . . . . 0.0 117.617 173.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -97.39 -8.22 30.02 Favored 'General case' 0 C--O 1.189 -2.115 0 CA-C-N 115.137 -0.938 . . . . 0.0 112.2 -170.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.49 1.07 0.39 Allowed 'General case' 0 N--CA 1.423 -1.806 0 N-CA-C 116.254 1.946 . . . . 0.0 116.254 174.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -118.22 28.95 6.66 Favored Glycine 1 C--O 1.165 -4.166 1 O-C-N 112.588 -6.32 . . . . 0.0 115.048 163.212 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 63.3 mttt -106.48 139.62 40.67 Favored 'General case' 1 C--O 1.322 4.893 0 N-CA-C 116.252 1.945 . . . . 0.0 116.252 166.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . 0.373 3.2 t70 68.52 -80.46 0.04 OUTLIER 'General case' 0 C--O 1.192 -1.921 2 O-C-N 113.927 -5.483 . . . . 0.0 115.486 161.307 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 5.8 m -145.78 9.57 1.17 Allowed 'General case' 0 CA--C 1.579 2.067 0 C-N-CA 114.491 -2.884 . . . . 0.0 111.745 169.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 117.53 170.01 15.06 Favored Glycine 0 C--O 1.263 1.959 0 CA-C-N 114.293 -1.321 . . . . 0.0 112.463 -173.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . 0.312 . . -97.2 119.4 63.24 Favored Pre-proline 0 C--N 1.285 -2.217 1 O-C-N 115.506 -4.526 . . . . 0.0 105.54 174.868 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -58.19 152.73 50.65 Favored 'Trans proline' 0 C--N 1.378 2.099 1 N-CA-C 122.909 4.157 . . . . 0.0 122.909 165.252 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . 0.37 29.5 mt -50.97 128.43 28.32 Favored Pre-proline 0 N--CA 1.479 1.02 0 C-N-CA 125.469 1.507 . . . . 0.0 114.689 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' PRO . . . . . 0.593 ' HD2' HD12 ' B' ' 38' ' ' ILE . 73.1 Cg_exo -64.42 148.05 90.71 Favored 'Trans proline' 0 C--O 1.199 -1.473 0 C-N-CA 122.66 2.24 . . . . 0.0 113.176 175.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -54.3 -32.14 55.75 Favored 'General case' 0 C--O 1.265 1.914 0 CA-C-O 112.135 -3.793 . . . . 0.0 111.789 170.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . 0.311 79.1 mtm-85 -71.48 -37.77 71.27 Favored 'General case' 0 C--N 1.282 -2.368 0 CA-C-N 125.9 3.955 . . . . 0.0 108.035 -175.667 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . 0.593 HD12 ' HD2' ' B' ' 35' ' ' PRO . 47.9 mt -78.7 -45.77 25.01 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 C-N-CA 116.969 -1.892 . . . . 0.0 106.737 -179.055 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.99 -35.44 73.23 Favored 'General case' 0 CA--C 1.48 -1.712 0 N-CA-C 116.298 1.962 . . . . 0.0 116.298 178.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . 0.257 73.5 m-20 -58.12 -37.84 75.36 Favored 'General case' 0 C--O 1.278 2.553 0 C-N-CA 115.725 -2.39 . . . . 0.0 114.058 174.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 29.8 mmtm -74.08 -10.77 59.96 Favored 'General case' 0 CA--C 1.597 2.777 0 O-C-N 120.552 -1.342 . . . . 0.0 114.083 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.505 HD22 ' CZ ' ' B' ' 47' ' ' PHE . 81.7 mt -115.52 13.27 16.38 Favored 'General case' 0 CA--C 1.506 -0.74 1 CA-C-O 128.849 4.166 . . . . 0.0 115.111 -172.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 20.2 ttm180 -69.0 96.9 0.81 Allowed 'General case' 0 C--O 1.264 1.859 0 CA-C-N 111.803 -2.453 . . . . 0.0 108.773 -170.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . 0.258 7.5 m-20 68.61 21.71 7.86 Favored 'General case' 0 C--O 1.244 0.776 0 C-N-CA 129.648 3.179 . . . . 0.0 116.106 178.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 19.4 mmtp -67.21 139.13 57.38 Favored 'General case' 0 C--O 1.189 -2.124 0 CA-C-O 117.44 -1.267 . . . . 0.0 114.17 165.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 34.1 tp10 -74.91 128.45 35.59 Favored 'General case' 0 C--O 1.284 2.898 0 O-C-N 128.991 3.932 . . . . 0.0 110.793 174.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . 0.505 ' CZ ' HD22 ' B' ' 42' ' ' LEU . 93.8 m-85 -117.75 154.0 32.46 Favored 'General case' 0 N--CA 1.412 -2.337 0 CA-C-O 124.617 2.151 . . . . 0.0 108.482 167.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -94.5 -20.52 19.59 Favored 'General case' 0 C--O 1.276 2.495 0 N-CA-C 117.73 2.493 . . . . 0.0 117.73 -176.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 91.0 p -158.43 168.01 28.13 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 107.127 -1.435 . . . . 0.0 107.127 169.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . 0.411 ' O ' ' HB3' ' B' ' 53' ' ' PHE . 29.0 t80 -59.48 -42.05 91.21 Favored 'General case' 0 C--O 1.272 2.263 0 CA-C-O 113.817 -2.992 . . . . 0.0 113.202 166.079 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -57.27 -44.54 84.03 Favored 'General case' 0 CA--C 1.584 2.279 0 CA-C-N 122.54 2.427 . . . . 0.0 110.017 -178.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.588 ' HA ' ' HD3' ' B' ' 55' ' ' LYS . 33.3 t70 -56.04 -33.89 65.37 Favored 'General case' 0 N--CA 1.431 -1.406 0 N-CA-C 116.724 2.12 . . . . 0.0 116.724 173.21 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' PHE . . . . . 0.411 ' HB3' ' O ' ' B' ' 50' ' ' PHE . 88.8 t80 -63.66 -52.3 61.32 Favored 'General case' 0 C--O 1.266 1.966 0 O-C-N 126.72 2.513 . . . . 0.0 110.458 165.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.48 HH12 ' HA ' ' B' ' 83' ' ' TYR . 35.4 ttp85 -58.39 -44.37 88.94 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 125.38 1.675 . . . . 0.0 112.872 -174.086 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.588 ' HD3' ' HA ' ' B' ' 52' ' ' ASP . 35.5 mtpt -44.45 -65.51 0.51 Allowed 'General case' 0 C--O 1.28 2.689 0 C-N-CA 128.171 2.588 . . . . 0.0 107.893 170.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -49.99 -59.11 4.19 Favored 'General case' 0 C--O 1.21 -0.996 0 C-N-CA 127.48 2.312 . . . . 0.0 116.285 178.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 84.6 t -40.41 -61.78 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.17 0 N-CA-C 115.087 1.514 . . . . 0.0 115.087 170.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' TRP . . . . . 0.429 ' O ' ' HB ' ' B' ' 61' ' ' VAL . 3.2 m95 -53.05 -33.37 51.62 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 119.539 3.163 . . . . 0.0 119.539 172.017 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . 0.553 ' HG3' ' O ' ' B' ' 55' ' ' LYS . 40.1 mt-10 -76.05 -39.29 55.86 Favored 'General case' 0 C--O 1.276 2.462 0 CA-C-N 113.901 -1.499 . . . . 0.0 109.994 175.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . 0.464 ' HB2' HG23 ' B' ' 38' ' ' ILE . 45.2 mm-40 -63.33 -31.59 72.78 Favored 'General case' 0 C--O 1.174 -2.918 0 O-C-N 118.982 -2.324 . . . . 0.0 111.819 178.063 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . 0.429 ' HB ' ' O ' ' B' ' 58' ' ' TRP . 46.7 t -45.97 -49.1 5.09 Favored 'Isoleucine or valine' 0 C--N 1.353 0.726 0 C-N-CA 124.763 1.225 . . . . 0.0 111.39 162.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 1.5 p -77.69 -24.9 49.14 Favored 'General case' 0 N--CA 1.516 2.864 1 O-C-N 116.261 -4.024 . . . . 0.0 113.336 178.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 23.7 mtmt -85.2 -17.89 35.72 Favored 'General case' 0 C--O 1.272 2.243 0 N-CA-C 116.363 1.986 . . . . 0.0 116.363 176.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . 0.431 ' HA ' ' HD3' ' B' ' 65' ' ' PRO . 21.0 t70 -90.57 119.13 69.11 Favored Pre-proline 0 N--CA 1.415 -2.198 0 O-C-N 119.566 -1.959 . . . . 0.0 108.725 170.262 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' B' ' 64' ' ' ASP . 97.7 Cg_exo -65.84 -14.7 45.85 Favored 'Trans proline' 0 CA--C 1.573 2.457 0 C-N-CA 121.491 1.461 . . . . 0.0 111.878 -169.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -96.23 -34.14 11.74 Favored 'General case' 0 C--O 1.294 3.399 0 O-C-N 119.509 -1.995 . . . . 0.0 106.769 -173.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 19.1 mt -74.7 -41.47 60.14 Favored 'General case' 0 C--O 1.196 -1.711 0 C-N-CA 126.948 2.099 . . . . 0.0 114.321 -169.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 17.6 p -88.04 3.94 47.03 Favored 'General case' 0 N--CA 1.494 1.766 0 C-N-CA 115.824 -2.35 . . . . 0.0 117.124 173.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -52.43 -39.5 61.08 Favored 'General case' 0 CA--C 1.572 1.791 0 N-CA-C 117.356 2.354 . . . . 0.0 117.356 -173.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . 0.546 HD21 ' HE2' ' B' ' 21' ' ' LYS . 20.8 m-80 -82.34 -0.4 45.6 Favored 'General case' 0 C--N 1.391 2.393 0 CA-C-N 114.698 -1.137 . . . . 0.0 111.426 -176.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 73.2 mt -92.93 152.66 19.23 Favored 'General case' 0 C--N 1.278 -2.538 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 -176.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 36.2 p-10 -97.45 157.17 35.26 Favored Pre-proline 0 C--O 1.268 2.041 0 O-C-N 128.771 3.794 . . . . 0.0 115.037 171.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -24.08 -48.84 0.05 OUTLIER 'Trans proline' 0 C--N 1.394 2.945 1 C-N-CA 126.849 5.033 . . . . 0.0 120.179 177.314 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 34.3 t -66.59 -42.58 86.72 Favored 'General case' 0 C--N 1.285 -2.222 0 N-CA-C 114.92 1.452 . . . . 0.0 114.92 177.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' ASN . . . . . . . . . . . . . 61.3 m-20 -74.69 -37.56 62.6 Favored 'General case' 0 N--CA 1.409 -2.488 0 C-N-CA 119.131 -1.027 . . . . 0.0 111.213 171.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 39.4 mttp -61.15 -38.38 86.23 Favored 'General case' 0 C--O 1.26 1.657 0 N-CA-C 115.636 1.717 . . . . 0.0 115.636 173.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 17.5 m -64.68 -40.24 95.05 Favored 'General case' 0 C--O 1.202 -1.421 0 CA-C-N 123.265 2.757 . . . . 0.0 110.205 172.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 15.9 m -51.3 -55.86 16.1 Favored 'General case' 0 C--N 1.367 1.345 0 N-CA-C 119.755 3.243 . . . . 0.0 119.755 176.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . 0.504 HG13 ' HD3' ' B' ' 85' ' ' PRO . 0.2 OUTLIER -58.28 -42.46 83.74 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.815 0 CA-C-N 111.089 -2.778 . . . . 0.0 113.247 177.274 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 90.7 p -77.41 -4.85 47.43 Favored 'General case' 0 C--N 1.389 2.326 0 CA-C-O 116.85 -1.548 . . . . 0.0 113.859 -179.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 39.3 mtmt -100.46 13.15 35.52 Favored 'General case' 0 CA--C 1.56 1.338 0 C-N-CA 129.881 3.272 . . . . 0.0 115.852 162.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 78.77 9.02 87.45 Favored Glycine 0 CA--C 1.558 2.748 0 CA-C-N 114.204 -1.362 . . . . 0.0 114.635 174.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' TYR . . . . . 0.48 ' HA ' HH12 ' B' ' 54' ' ' ARG . 38.2 m-85 -106.5 148.98 27.56 Favored 'General case' 0 C--O 1.269 2.098 0 N-CA-C 120.233 3.42 . . . . 0.0 120.233 177.242 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . 0.528 ' HB2' ' HB ' ' B' ' 98' ' ' VAL . 20.2 m -64.28 124.84 86.87 Favored Pre-proline 0 CA--C 1.477 -1.864 0 CA-C-O 116.464 -1.732 . . . . 0.0 111.214 -170.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' PRO . . . . . 0.504 ' HD3' HG13 ' B' ' 79' ' ' VAL . 10.0 Cg_endo -44.72 171.07 0.02 OUTLIER 'Trans proline' 0 C--N 1.31 -1.495 1 C-N-CA 126.343 4.696 . . . . 0.0 116.379 162.326 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -113.33 -178.19 3.32 Favored 'General case' 0 C--O 1.188 -2.166 0 O-C-N 118.813 -2.43 . . . . 0.0 107.713 -171.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . 0.482 ' HB ' ' HB2' ' B' ' 91' ' ' GLN . 6.3 p -118.03 159.9 41.11 Favored Pre-proline 0 C--O 1.184 -2.392 0 N-CA-C 115.887 1.81 . . . . 0.0 115.887 -176.289 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_exo -61.87 169.17 7.64 Favored 'Trans proline' 0 CA--C 1.472 -2.624 1 C-N-CA 127.846 5.698 . . . . 0.0 114.881 172.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . 0.426 ' HD3' ' O ' ' A' ' 48' ' ' SER . 2.6 tptt -73.11 -8.56 56.32 Favored 'General case' 0 C--O 1.27 2.157 0 N-CA-C 118.56 2.8 . . . . 0.0 118.56 -175.118 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 20.9 p-10 -86.86 -0.91 57.3 Favored 'General case' 0 C--O 1.176 -2.814 0 CA-C-N 112.492 -2.14 . . . . 0.0 115.754 164.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' GLN . . . . . 0.482 ' HB2' ' HB ' ' B' ' 87' ' ' THR . 20.3 mm-40 -128.39 -18.06 4.09 Favored 'General case' 0 C--O 1.292 3.331 0 C-N-CA 114.521 -2.872 . . . . 0.0 111.549 -174.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' GLN . . . . . 0.498 HE22 ' HB2' ' A' ' 50' ' ' SER . 62.1 mt-30 -80.17 121.4 25.53 Favored 'General case' 0 C--N 1.385 2.145 0 CA-C-N 123.847 3.022 . . . . 0.0 108.261 178.42 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 81.0 t -105.05 76.71 0.46 Allowed 'Isoleucine or valine' 0 C--O 1.268 2.064 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 -170.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . 65.89 -74.47 0.12 Allowed Glycine 1 CA--C 1.589 4.675 0 O-C-N 124.899 1.374 . . . . 0.0 115.802 173.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -89.71 -42.93 5.28 Favored Glycine 0 C--N 1.353 1.511 0 C-N-CA 119.799 -1.191 . . . . 0.0 111.478 175.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 96' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' B' ' 96' ' ' ARG . 2.0 mtp180 -81.47 102.37 10.5 Favored 'General case' 0 CA--C 1.483 -1.621 0 C-N-CA 125.2 1.4 . . . . 0.0 107.975 -175.17 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 56.6 mttp -109.39 -26.28 10.09 Favored 'General case' 0 C--O 1.175 -2.845 0 O-C-N 125.187 1.554 . . . . 0.0 112.938 178.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 98' ' ' VAL . . . . . 0.528 ' HB ' ' HB2' ' B' ' 84' ' ' SER . 19.2 m -91.51 154.74 3.13 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.06 0 CA-C-N 124.98 3.536 . . . . 0.0 115.242 -175.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 99' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -58.62 132.32 53.45 Favored 'General case' 0 C--O 1.186 -2.247 0 CA-C-O 125.552 2.596 . . . . 0.0 109.61 171.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -121.26 150.95 40.61 Favored 'General case' 0 C--N 1.379 1.88 0 O-C-N 117.795 -3.066 . . . . 0.0 112.604 -179.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . 0.485 ' HB3' ' CG2' ' B' ' 119' ' ' ILE . 27.7 mt -96.31 127.07 41.97 Favored 'General case' 0 C--O 1.171 -3.035 0 O-C-N 116.397 -3.939 . . . . 0.0 110.28 173.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -132.0 175.03 9.57 Favored 'General case' 0 C--O 1.301 3.792 1 O-C-N 129.353 4.158 . . . . 0.0 109.47 -169.273 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 25.7 m-70 -134.96 148.46 50.02 Favored 'General case' 0 C--O 1.253 1.285 0 CA-C-N 124.885 3.493 . . . . 0.0 114.208 -167.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -76.91 -37.53 55.22 Favored 'General case' 0 C--O 1.265 1.873 0 O-C-N 126.509 2.381 . . . . 0.0 108.057 -174.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' LYS . . . . . 0.497 ' HB3' ' HE2' ' B' ' 105' ' ' LYS . 30.6 mtpt -98.61 136.56 20.73 Favored Pre-proline 0 C--O 1.272 2.271 0 O-C-N 117.368 -3.333 . . . . 0.0 113.839 173.364 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -61.17 132.5 41.87 Favored 'Trans proline' 0 N--CA 1.484 0.924 0 C-N-CA 123.461 2.774 . . . . 0.0 107.914 174.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' ILE . . . . . . . . . . . . . 28.4 mt -46.1 -56.03 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.416 -2.142 0 O-C-N 118.814 -2.429 . . . . 0.0 112.113 178.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 1.7 p -54.88 -12.88 0.9 Allowed 'General case' 1 C--O 1.32 4.778 0 CA-C-O 116.119 -1.896 . . . . 0.0 114.541 177.011 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -117.82 29.45 7.82 Favored 'General case' 0 C--N 1.296 -1.739 2 CA-C-N 128.472 5.124 . . . . 0.0 114.373 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 86.17 48.59 4.54 Favored Glycine 0 C--O 1.248 1.008 0 C-N-CA 127.06 2.267 . . . . 0.0 114.558 -176.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . -87.81 111.42 3.72 Favored Glycine 0 C--N 1.379 2.923 0 O-C-N 116.778 -3.778 . . . . 0.0 116.057 176.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -68.3 104.35 1.83 Allowed 'General case' 0 N--CA 1.414 -2.23 0 CA-C-N 122.369 3.085 . . . . 0.0 115.616 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 33.2 t -59.74 -68.02 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.49 -1.335 0 CA-C-O 115.722 -2.085 . . . . 0.0 116.415 179.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 114' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -75.3 56.98 0.86 Allowed 'General case' 0 N--CA 1.44 -0.941 0 CA-C-N 121.045 1.748 . . . . 0.0 110.836 172.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -139.61 104.65 4.98 Favored 'General case' 0 C--O 1.267 1.986 0 O-C-N 118.03 -2.919 . . . . 0.0 108.51 168.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 116' ' ' MET . . . . . 0.861 ' HA ' HD12 ' B' ' 119' ' ' ILE . 3.4 mtm -58.4 -25.73 62.44 Favored 'General case' 0 N--CA 1.504 2.274 0 N-CA-C 118.438 2.755 . . . . 0.0 118.438 -165.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.98 -15.28 29.8 Favored 'General case' 0 N--CA 1.511 2.613 0 C-N-CA 125.114 1.366 . . . . 0.0 112.933 174.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -104.79 -5.24 21.4 Favored 'General case' 0 CA--C 1.57 1.74 0 CA-C-O 122.442 1.115 . . . . 0.0 111.736 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 119' ' ' ILE . . . . . 0.861 HD12 ' HA ' ' B' ' 116' ' ' MET . 15.5 mt -106.18 118.0 52.99 Favored 'Isoleucine or valine' 0 C--N 1.4 2.798 0 O-C-N 119.003 -2.311 . . . . 0.0 106.94 -167.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 24.7 mmm-85 -108.01 131.52 54.48 Favored 'General case' 1 C--O 1.144 -4.45 0 CA-C-N 108.889 -3.778 . . . . 0.0 110.171 -176.023 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . 0.536 HG21 ' HZ3' ' B' ' 22' ' ' TRP 0.356 6.7 t -73.81 123.43 28.99 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.148 0 CA-C-N 111.275 -2.693 . . . . 0.0 105.799 170.587 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 6.3 p -125.62 146.13 49.84 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 125.001 1.438 . . . . 0.0 113.579 175.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 32.0 p -73.04 158.05 87.65 Favored Pre-proline 0 C--O 1.274 2.387 0 O-C-N 120.299 -1.501 . . . . 0.0 110.436 160.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . 0.278 0.0 OUTLIER -42.89 -41.7 8.88 Favored 'Trans proline' 0 C--N 1.359 1.085 1 C-N-CA 126.523 4.815 . . . . 0.0 118.058 170.143 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 24.1 tptp -65.48 -34.16 77.61 Favored 'General case' 0 N--CA 1.435 -1.2 0 O-C-N 127.037 2.711 . . . . 0.0 112.389 179.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . 0.474 ' HA ' ' HD2' ' B' ' 126' ' ' ARG . 12.3 tpt180 -76.28 -40.6 51.32 Favored 'General case' 0 C--O 1.246 0.87 0 O-C-N 125.832 1.958 . . . . 0.0 113.885 173.351 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 127' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -60.39 -48.57 81.2 Favored 'General case' 0 C--O 1.251 1.176 0 CA-C-N 122.113 2.233 . . . . 0.0 109.412 -178.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 128' ' ' ILE . . . . . . . . . . . . 0.279 39.8 mt -53.52 -46.31 59.6 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.911 0 C-N-CA 127.353 2.261 . . . . 0.0 114.181 171.077 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -50.69 -57.8 7.4 Favored 'General case' 0 N--CA 1.512 2.66 0 O-C-N 117.074 -3.516 . . . . 0.0 113.918 171.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 40.1 mt -77.8 -31.98 17.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 1 O-C-N 115.058 -4.776 . . . . 0.0 112.249 -173.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 131' ' ' HIS . . . . . . . . . . . . . 58.5 m-70 -92.57 21.16 5.63 Favored 'General case' 0 N--CA 1.432 -1.33 0 O-C-N 119.667 -1.896 . . . . 0.0 115.911 171.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 82.0 mmt-85 55.73 55.18 7.38 Favored 'General case' 0 C--N 1.36 1.037 0 C-N-CA 129.461 3.104 . . . . 0.0 111.893 156.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 133' ' ' GLY . . . . . . . . . . . . . . . 104.96 -52.71 0.71 Allowed Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 116.691 -2.671 . . . . 0.0 113.759 175.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 35.7 mttm . . . . . 0 N--CA 1.481 1.111 0 C-N-CA 118.813 -1.155 . . . . 0.0 110.063 175.513 . . . . . . . . 0 0 . 1 stop_ save_